101
Coordinates from ORCA-job orca E -6762.222560775633
  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      -2.199128      1.576032      2.435701
  H      -1.759608      2.996006      3.098701
  H      -3.329945      2.687963      2.801675
  N      -4.704821      2.030138      5.214972
  N      -6.062100      2.438135      5.302899
101
Coordinates from ORCA-job orca E -6762.319285298791
  N      -2.393393      3.264653      5.953863
  Mo     -2.652155      1.431504      5.143959
  N      -3.148956      0.370899      6.742330
  C      -2.172133      0.058641      7.770519
  C      -1.183416      1.205202      7.957406
  N      -0.553620      1.589812      6.688791
  C      -0.086042      2.972241      6.702420
  C      -1.066323      3.822103      5.859761
  C       0.459846      0.645367      6.223540
  C       0.136989      0.386856      4.741525
  N      -1.266941      0.075639      4.719464
  H      -0.732991      3.803649      4.814328
  H      -1.031536      4.863344      6.202313
  H       0.913640      3.051627      6.269360
  H      -0.047646      3.358516      7.726944
  H       0.758940     -0.418693      4.331637
  H       0.329307      1.304850      4.166736
  H       0.368375     -0.298603      6.768159
  H       1.476218      1.031185      6.354989
  H      -2.657070     -0.128341      8.738824
  H      -1.637820     -0.868292      7.491066
  H      -1.747762      2.065641      8.329592
  H      -0.422571      0.926072      8.701378
  C      -3.291551      4.101933      6.712661
  C      -3.604598      5.462383      6.017215
  O      -4.756321      5.397144      5.165962
  C      -4.579279      5.252235      3.833542
  O      -3.482346      5.315095      3.290671
  C      -5.863196      5.037741      3.128395
  N      -6.729704      4.220410      3.725367
  C      -7.896708      4.023006      3.111347
  N      -8.311555      4.562164      1.991345
  C      -7.460406      5.420832      1.366745
  C      -7.867961      6.041884      0.171944
  C      -7.018705      6.909677     -0.470867
  C      -5.744808      7.184890      0.052685
  C      -5.318639      6.594682      1.218557
  C      -6.162692      5.695596      1.902925
  C      -1.591855     -1.312187      4.527899
  C      -1.974409     -1.613132      3.050367
  O      -2.358181     -0.431230      2.349615
  C      -3.381367      0.311490      2.881582
  O      -4.018109     -0.117173      3.870886
  C      -3.957906      1.230065      1.864586
  N      -5.232324      1.534398      2.147413
  C      -5.887204      2.365171      1.339597
  N      -5.422241      2.948231      0.267078
  C      -4.138626      2.656573     -0.079071
  C      -3.620679      3.271309     -1.235240
  C      -2.342000      2.994391     -1.651007
  C      -1.546944      2.095693     -0.924868
  C      -2.024856      1.485931      0.212996
  C      -3.333255      1.745779      0.680437
  C      -4.325467     -0.455923      6.882270
  C      -5.332256      0.013401      7.951743
  O      -5.818360      1.319676      7.669629
  C      -6.759018      1.432642      6.707617
  O      -7.144545      0.477685      6.029414
  C      -7.291396      2.809056      6.648707
  N      -6.485753      3.762528      7.131740
  C      -6.971003      5.004837      7.163098
  N      -8.148948      5.415664      6.766885
  C      -8.996418      4.473691      6.282457
  C     -10.286372      4.859962      5.867440
  C     -11.174556      3.914046      5.415857
  C     -10.808973      2.558940      5.364303
  C      -9.552808      2.153506      5.751983
  C      -8.614890      3.097890      6.211345
  H      -2.852679      4.352180      7.693899
  H      -4.246016      3.593527      6.878232
  H      -2.757901      5.800081      5.408129
  H      -3.851672      6.219159      6.765752
  H      -8.573352      3.322345      3.603842
  H      -8.853564      5.813919     -0.208996
  H      -7.330555      7.389627     -1.388719
  H      -5.091238      7.871621     -0.468304
  H      -4.332891      6.801095      1.612759
  H      -2.454868     -1.565150      5.155450
  H      -0.746394     -1.957301      4.801227
  H      -2.798246     -2.335743      3.011039
  H      -1.122431     -1.984706      2.475969
  H      -6.914306      2.560265      1.616470
  H      -4.269153      3.952059     -1.771220
  H      -1.945962      3.463731     -2.541525
  H      -0.542173      1.880805     -1.263103
  H      -1.392489      0.794813      0.748541
  H      -4.860551     -0.473946      5.928226
  H      -4.052080     -1.490693      7.151577
  H      -6.168369     -0.695730      7.974032
  H      -4.881075      0.098972      8.943292
  H      -6.306258      5.758534      7.574088
  H     -10.546081      5.907632      5.928900
  H     -12.167520      4.208036      5.103266
  H     -11.523948      1.825763      5.015680
  H      -9.266779      1.111265      5.704130
  N      -2.387460      2.360071      3.238747
  H      -2.098251      1.714242      2.513271
  H      -1.672773      3.093317      3.254538
  H      -3.237614      2.802753      2.902199
  N      -4.681538      2.027881      5.266372
  N      -5.982602      2.395265      5.325583
101
Coordinates from ORCA-job orca E -6762.388664500241
  N      -2.401335      3.269537      5.973686
  Mo     -2.662265      1.435118      5.170770
  N      -3.142825      0.358634      6.777775
  C      -2.153044      0.047957      7.795396
  C      -1.170597      1.198550      7.977548
  N      -0.550286      1.590128      6.702708
  C      -0.086439      2.977007      6.712014
  C      -1.071426      3.824566      5.872028
  C       0.464143      0.646345      6.229824
  C       0.133245      0.389876      4.751528
  N      -1.273380      0.075697      4.734048
  H      -0.737263      3.803167      4.823628
  H      -1.036007      4.868964      6.210497
  H       0.912370      3.056734      6.271835
  H      -0.041406      3.364391      7.737977
  H       0.755080     -0.415315      4.334796
  H       0.323671      1.311308      4.177872
  H       0.377104     -0.299587      6.775440
  H       1.482682      1.034782      6.357218
  H      -2.629247     -0.146039      8.769007
  H      -1.612676     -0.876743      7.509247
  H      -1.735090      2.057413      8.357276
  H      -0.400398      0.920701      8.715641
  C      -3.299972      4.113436      6.733704
  C      -3.608788      5.473840      6.035334
  O      -4.765171      5.432022      5.176439
  C      -4.584176      5.292198      3.844450
  O      -3.485655      5.329495      3.301227
  C      -5.874500      5.105538      3.121660
  N      -6.758114      4.307248      3.711957
  C      -7.931933      4.115945      3.090664
  N      -8.332075      4.657236      1.959855
  C      -7.458634      5.500841      1.340386
  C      -7.850307      6.119387      0.134449
  C      -6.985053      6.971500     -0.511916
  C      -5.707440      7.235618      0.019509
  C      -5.294393      6.650447      1.195807
  C      -6.156165      5.763317      1.886362
  C      -1.605028     -1.313275      4.539177
  C      -2.001511     -1.622010      3.066921
  O      -2.396534     -0.446400      2.354824
  C      -3.417895      0.297427      2.895351
  O      -4.034044     -0.114220      3.902950
  C      -4.009949      1.209115      1.871303
  N      -5.278581      1.520966      2.174066
  C      -5.947542      2.354709      1.368841
  N      -5.493829      2.935917      0.279808
  C      -4.214002      2.632721     -0.081757
  C      -3.704936      3.242892     -1.248411
  C      -2.429250      2.956839     -1.681502
  C      -1.628002      2.053033     -0.960934
  C      -2.096775      1.448048      0.188615
  C      -3.400484      1.717732      0.671777
  C      -4.316182     -0.477227      6.921989
  C      -5.315665     -0.028259      8.000013
  O      -5.789304      1.281360      7.717999
  C      -6.711423      1.388552      6.733645
  O      -7.090658      0.424482      6.054152
  C      -7.244800      2.773802      6.660730
  N      -6.463738      3.742815      7.168589
  C      -6.962881      4.985820      7.185290
  N      -8.138195      5.390542      6.753417
  C      -8.960308      4.432935      6.245410
  C     -10.245260      4.804735      5.791343
  C     -11.113475      3.847635      5.313981
  C     -10.732117      2.493047      5.274351
  C      -9.479702      2.101140      5.700029
  C      -8.562632      3.057169      6.186601
  H      -2.857686      4.366095      7.715066
  H      -4.255688      3.606975      6.905046
  H      -2.757375      5.804794      5.427590
  H      -3.850726      6.232249      6.786906
  H      -8.621163      3.424476      3.587142
  H      -8.839616      5.899838     -0.252658
  H      -7.286179      7.448755     -1.439396
  H      -5.039986      7.912293     -0.505067
  H      -4.305611      6.854933      1.590448
  H      -2.464250     -1.565385      5.173209
  H      -0.756112     -1.958938      4.808557
  H      -2.826427     -2.346539      3.042168
  H      -1.153608     -1.998524      2.486466
  H      -6.974560      2.561607      1.664351
  H      -4.359267      3.929991     -1.777879
  H      -2.040316      3.423641     -2.581215
  H      -0.625076      1.830294     -1.311918
  H      -1.459467      0.752441      0.721282
  H      -4.856374     -0.487722      5.970464
  H      -4.036106     -1.515995      7.178472
  H      -6.149928     -0.742608      8.013962
  H      -4.868011      0.049724      8.996297
  H      -6.313494      5.747713      7.616164
  H     -10.518352      5.853539      5.843868
  H     -12.103320      4.133290      4.971097
  H     -11.431136      1.749358      4.904356
  H      -9.179897      1.059430      5.660902
  N      -2.360299      2.430047      3.274426
  H      -2.059698      1.813313      2.527288
  H      -1.642129      3.163761      3.321820
  H      -3.205592      2.884346      2.942628
  N      -4.683317      2.026478      5.292483
  N      -5.881805      2.355174      5.336954
101
Coordinates from ORCA-job orca E -6762.431852297794
  N      -2.408919      3.277403      5.987864
  Mo     -2.671252      1.442386      5.187582
  N      -3.143375      0.349844      6.800988
  C      -2.144908      0.040458      7.810704
  C      -1.168289      1.193162      7.992217
  N      -0.552361      1.591379      6.714752
  C      -0.091055      2.980973      6.723854
  C      -1.075710      3.828068      5.884171
  C       0.463597      0.648014      6.235387
  C       0.130428      0.396304      4.757703
  N      -1.277204      0.079605      4.739581
  H      -0.735881      3.805408      4.835696
  H      -1.039488      4.874714      6.219891
  H       0.908404      3.060101      6.281312
  H      -0.043016      3.367200      7.751665
  H       0.752878     -0.407566      4.334905
  H       0.321789      1.321507      4.187546
  H       0.378350     -0.300210      6.779871
  H       1.483336      1.038332      6.363658
  H      -2.615321     -0.160156      8.787644
  H      -1.598867     -0.882061      7.519952
  H      -1.732524      2.051252      8.377208
  H      -0.392137      0.915873      8.726799
  C      -3.305109      4.130161      6.747455
  C      -3.603655      5.491419      6.051457
  O      -4.762625      5.465781      5.187054
  C      -4.574377      5.332733      3.857716
  O      -3.476460      5.355522      3.313221
  C      -5.867668      5.157908      3.123310
  N      -6.755232      4.367185      3.712407
  C      -7.930642      4.169014      3.083688
  N      -8.322842      4.703729      1.943892
  C      -7.440638      5.540846      1.326614
  C      -7.825342      6.146769      0.109145
  C      -6.956453      6.990971     -0.543962
  C      -5.679991      7.261652     -0.006392
  C      -5.273235      6.691654      1.181074
  C      -6.139482      5.808973      1.879211
  C      -1.614074     -1.308928      4.538742
  C      -2.019156     -1.622762      3.070362
  O      -2.424362     -0.453755      2.347186
  C      -3.446084      0.290338      2.891792
  O      -4.045120     -0.104837      3.919424
  C      -4.052943      1.190509      1.865508
  N      -5.317731      1.508607      2.182248
  C      -5.993606      2.340411      1.375773
  N      -5.549272      2.919299      0.274992
  C      -4.272756      2.607666     -0.095605
  C      -3.768653      3.214643     -1.268356
  C      -2.495275      2.921904     -1.712878
  C      -1.691213      2.014395     -0.996288
  C      -2.154724      1.413369      0.161267
  C      -3.454619      1.690771      0.654168
  C      -4.313557     -0.495584      6.947290
  C      -5.310389     -0.064275      8.031387
  O      -5.783482      1.250099      7.754349
  C      -6.692146      1.354871      6.755291
  O      -7.067902      0.391535      6.075861
  C      -7.222741      2.748504      6.679435
  N      -6.464919      3.720994      7.213942
  C      -6.972947      4.963895      7.228502
  N      -8.142287      5.370158      6.772222
  C      -8.942748      4.405625      6.237863
  C     -10.221369      4.770925      5.755316
  C     -11.073338      3.811191      5.249196
  C     -10.681223      2.457635      5.207837
  C      -9.434139      2.071514      5.661008
  C      -8.533715      3.031455      6.177864
  H      -2.860632      4.381428      7.729585
  H      -4.263248      3.629567      6.923129
  H      -2.748022      5.818012      5.446448
  H      -3.840885      6.249720      6.806607
  H      -8.622839      3.481401      3.582194
  H      -8.814629      5.921374     -0.281773
  H      -7.252890      7.457681     -1.481346
  H      -5.008146      7.934216     -0.535971
  H      -4.284983      6.909359      1.574512
  H      -2.470125     -1.561836      5.177355
  H      -0.762666     -1.955168      4.805459
  H      -2.843488     -2.350142      3.056013
  H      -1.173264     -2.002557      2.486762
  H      -7.019272      2.556167      1.681001
  H      -4.426561      3.907532     -1.792304
  H      -2.110540      3.387186     -2.618350
  H      -0.689612      1.785613     -1.355245
  H      -1.515238      0.715000      0.692914
  H      -4.856672     -0.502968      5.997460
  H      -4.024794     -1.536819      7.192441
  H      -6.141275     -0.784406      8.038683
  H      -4.865001      0.007637      9.030817
  H      -6.335576      5.726564      7.681728
  H     -10.503645      5.819920      5.809177
  H     -12.058756      4.094729      4.884089
  H     -11.366995      1.710132      4.814125
  H      -9.124623      1.030971      5.620066
  N      -2.323614      2.504177      3.302630
  H      -2.008761      1.914183      2.536006
  H      -1.604766      3.235798      3.381800
  H      -3.163540      2.970190      2.973288
  N      -4.690743      2.032280      5.300618
  N      -5.797470      2.328725      5.335042
101
Coordinates from ORCA-job orca E -6762.458865139354
  N      -2.398587      3.283506      5.980101
  Mo     -2.662413      1.446206      5.185395
  N      -3.141909      0.346067      6.803362
  C      -2.140971      0.038155      7.811579
  C      -1.166594      1.190027      7.994150
  N      -0.545893      1.588917      6.717165
  C      -0.083546      2.979657      6.726040
  C      -1.060536      3.826960      5.879345
  C       0.470763      0.642374      6.236146
  C       0.142464      0.394907      4.755799
  N      -1.265489      0.077960      4.731234
  H      -0.708201      3.801232      4.833922
  H      -1.022188      4.876345      6.209912
  H       0.919504      3.054246      6.287711
  H      -0.037385      3.366014      7.755225
  H       0.765833     -0.408949      4.330631
  H       0.340404      1.322507      4.189281
  H       0.382215     -0.307216      6.779799
  H       1.491506      1.032402      6.370850
  H      -2.610795     -0.163686      8.790224
  H      -1.591551     -0.885372      7.523158
  H      -1.729239      2.051033      8.377610
  H      -0.389914      0.913809      8.730783
  C      -3.294632      4.147159      6.734007
  C      -3.587646      5.508117      6.044107
  O      -4.752988      5.489204      5.181355
  C      -4.571307      5.363013      3.853029
  O      -3.480422      5.372852      3.295127
  C      -5.875879      5.196004      3.125604
  N      -6.761854      4.413164      3.724878
  C      -7.941313      4.204933      3.098110
  N      -8.335117      4.729354      1.952495
  C      -7.450664      5.558696      1.327251
  C      -7.836234      6.147656      0.099741
  C      -6.967558      6.981123     -0.568130
  C      -5.689396      7.259572     -0.033608
  C      -5.282654      6.708491      1.163635
  C      -6.148484      5.834541      1.875177
  C      -1.608925     -1.309538      4.525790
  C      -2.017629     -1.630619      3.060586
  O      -2.429111     -0.469710      2.323856
  C      -3.451744      0.276985      2.866064
  O      -4.036817     -0.095788      3.915409
  C      -4.063034      1.173508      1.846322
  N      -5.320606      1.519603      2.171597
  C      -5.980321      2.364124      1.363093
  N      -5.527476      2.938015      0.258148
  C      -4.257668      2.597809     -0.114359
  C      -3.735807      3.199114     -1.284047
  C      -2.466986      2.879767     -1.729276
  C      -1.684168      1.950912     -1.015235
  C      -2.164144      1.356126      0.141187
  C      -3.458836      1.661172      0.632535
  C      -4.314337     -0.505349      6.949391
  C      -5.318570     -0.089154      8.035407
  O      -5.815241      1.228519      7.777869
  C      -6.729265      1.335020      6.779351
  O      -7.112756      0.377065      6.104900
  C      -7.259889      2.739267      6.717416
  N      -6.518922      3.706455      7.277687
  C      -7.032754      4.948955      7.308501
  N      -8.199557      5.361616      6.847147
  C      -8.986139      4.398267      6.286795
  C     -10.262010      4.764699      5.794441
  C     -11.103712      3.810432      5.259243
  C     -10.703259      2.458805      5.196927
  C      -9.458595      2.071156      5.658973
  C      -8.568458      3.026642      6.207002
  H      -2.848312      4.396295      7.717070
  H      -4.255053      3.652665      6.915413
  H      -2.731070      5.836431      5.440844
  H      -3.822032      6.264288      6.803900
  H      -8.632253      3.522471      3.606006
  H      -8.827558      5.915206     -0.287503
  H      -7.264716      7.433914     -1.514493
  H      -5.016340      7.925763     -0.573847
  H      -4.293261      6.939113      1.551544
  H      -2.463038     -1.561618      5.167930
  H      -0.757116     -1.957320      4.793594
  H      -2.841117     -2.360746      3.054648
  H      -1.172019     -2.015666      2.478034
  H      -7.000899      2.608782      1.672288
  H      -4.377526      3.912820     -1.804202
  H      -2.069552      3.342072     -2.633356
  H      -0.685264      1.700351     -1.373646
  H      -1.541034      0.640862      0.673871
  H      -4.855959     -0.516519      5.998720
  H      -4.016088     -1.547006      7.188573
  H      -6.142773     -0.818230      8.037988
  H      -4.871825     -0.022659      9.035827
  H      -6.400873      5.706490      7.782640
  H     -10.550811      5.813175      5.863575
  H     -12.087307      4.097580      4.885871
  H     -11.380338      1.713822      4.778651
  H      -9.141672      1.032446      5.600618
  N      -2.252125      2.567336      3.309827
  H      -1.919689      1.998183      2.529681
  H      -1.533011      3.294213      3.420595
  H      -3.083676      3.047650      2.974377
  N      -4.679740      2.038966      5.277017
  N      -5.775580      2.326155      5.310524
101
Coordinates from ORCA-job orca E -6762.479020139623
  N      -2.390178      3.284153      5.968155
  Mo     -2.646477      1.441979      5.181650
  N      -3.137096      0.343363      6.805713
  C      -2.136836      0.041917      7.816138
  C      -1.166524      1.194892      7.998080
  N      -0.538438      1.590184      6.722571
  C      -0.079622      2.983482      6.731111
  C      -1.049907      3.827537      5.875468
  C       0.481012      0.641410      6.245140
  C       0.162155      0.391955      4.762244
  N      -1.244186      0.070346      4.728494
  H      -0.680209      3.801836      4.836764
  H      -1.015138      4.879304      6.201146
  H       0.928041      3.057383      6.301589
  H      -0.040786      3.369413      7.761412
  H       0.789509     -0.411247      4.339960
  H       0.365861      1.319542      4.196500
  H       0.389517     -0.307382      6.790524
  H       1.500608      1.033748      6.388430
  H      -2.608174     -0.157185      8.795564
  H      -1.583256     -0.883037      7.536080
  H      -1.729579      2.059487      8.374095
  H      -0.391653      0.924688      8.740035
  C      -3.296260      4.149393      6.714617
  C      -3.598757      5.508956      6.037389
  O      -4.771697      5.488445      5.179810
  C      -4.596474      5.373421      3.852727
  O      -3.511486      5.375107      3.284536
  C      -5.910309      5.223129      3.128837
  N      -6.802940      4.449664      3.728219
  C      -7.982207      4.243733      3.094958
  N      -8.367692      4.768711      1.945869
  C      -7.472774      5.589735      1.323231
  C      -7.846120      6.174976      0.088897
  C      -6.966623      6.996919     -0.579776
  C      -5.688877      7.268628     -0.037523
  C      -5.295251      6.722249      1.166493
  C      -6.172254      5.859190      1.876427
  C      -1.590445     -1.316947      4.523835
  C      -1.998852     -1.650164      3.062803
  O      -2.416848     -0.500550      2.309225
  C      -3.441678      0.248394      2.841730
  O      -4.011541     -0.098165      3.913304
  C      -4.057146      1.143814      1.832644
  N      -5.305949      1.511896      2.177577
  C      -5.960459      2.367666      1.378353
  N      -5.513473      2.941383      0.267983
  C      -4.252694      2.582115     -0.120458
  C      -3.731636      3.184807     -1.290610
  C      -2.471731      2.851265     -1.752032
  C      -1.695448      1.905790     -1.053228
  C      -2.173082      1.309079      0.104503
  C      -3.458867      1.628606      0.611839
  C      -4.310821     -0.511615      6.950425
  C      -5.319507     -0.105116      8.036267
  O      -5.839995      1.213182      7.797480
  C      -6.764058      1.316924      6.804610
  O      -7.157052      0.362185      6.141084
  C      -7.290268      2.729813      6.749647
  N      -6.555818      3.687808      7.324759
  C      -7.065201      4.933496      7.363599
  N      -8.227540      5.355441      6.896617
  C      -9.009318      4.396777      6.318272
  C     -10.278457      4.771819      5.813449
  C     -11.115646      3.827202      5.254594
  C     -10.716388      2.475068      5.179252
  C      -9.478623      2.078775      5.652953
  C      -8.593294      3.024866      6.228054
  H      -2.851356      4.396742      7.699468
  H      -4.254007      3.649744      6.900237
  H      -2.745788      5.851508      5.436509
  H      -3.837970      6.256838      6.804431
  H      -8.679418      3.567080      3.603671
  H      -8.837550      5.946632     -0.303100
  H      -7.254000      7.445795     -1.532030
  H      -5.006225      7.926965     -0.577223
  H      -4.306610      6.951655      1.559405
  H      -2.442543     -1.567728      5.169518
  H      -0.737916     -1.963607      4.796133
  H      -2.819125     -2.384772      3.065435
  H      -1.151904     -2.039973      2.484382
  H      -6.973606      2.633060      1.702169
  H      -4.367688      3.914167     -1.797426
  H      -2.076543      3.316243     -2.656916
  H      -0.702937      1.642987     -1.423441
  H      -1.555299      0.581241      0.625992
  H      -4.849329     -0.530088      5.997407
  H      -4.005028     -1.551859      7.188408
  H      -6.138325     -0.840583      8.038471
  H      -4.868641     -0.041154      9.035472
  H      -6.432585      5.684310      7.849721
  H     -10.565250      5.821265      5.890823
  H     -12.093639      4.122989      4.870741
  H     -11.388777      1.736554      4.740161
  H      -9.162135      1.040295      5.583050
  N      -2.179099      2.605005      3.306406
  H      -1.830884      2.047980      2.520875
  H      -1.463246      3.329355      3.438233
  H      -3.004237      3.094019      2.962385
  N      -4.657198      2.035441      5.241974
  N      -5.753268      2.318395      5.276053
101
Coordinates from ORCA-job orca E -6762.494178072946
  N      -2.384715      3.288502      5.961652
  Mo     -2.636108      1.443481      5.177400
  N      -3.137683      0.347433      6.803524
  C      -2.138622      0.048270      7.814748
  C      -1.170393      1.200495      7.998165
  N      -0.535839      1.593980      6.724990
  C      -0.079447      2.988790      6.738995
  C      -1.043811      3.833065      5.879737
  C       0.484045      0.644335      6.246928
  C       0.172602      0.396794      4.761562
  N      -1.231406      0.069978      4.719292
  H      -0.657509      3.813288      4.848395
  H      -1.013320      4.885442      6.205501
  H       0.932485      3.063891      6.319052
  H      -0.047658      3.369059      7.771828
  H       0.803674     -0.404468      4.340446
  H       0.380953      1.324967      4.198100
  H       0.389527     -0.304885      6.791128
  H       1.502311      1.037779      6.399049
  H      -2.610803     -0.149433      8.794486
  H      -1.583557     -0.878186      7.540787
  H      -1.732507      2.068182      8.368646
  H      -0.397823      0.934100      8.744368
  C      -3.296160      4.152758      6.704653
  C      -3.601052      5.512108      6.039620
  O      -4.778765      5.492841      5.186161
  C      -4.607298      5.387288      3.860368
  O      -3.526050      5.377503      3.285906
  C      -5.928062      5.250918      3.140857
  N      -6.825494      4.487902      3.744020
  C      -8.002209      4.278892      3.105120
  N      -8.379995      4.795838      1.949882
  C      -7.478109      5.608536      1.325364
  C      -7.840301      6.182687      0.082055
  C      -6.952449      6.993152     -0.589788
  C      -5.677270      7.265782     -0.040450
  C      -5.295609      6.730801      1.172443
  C      -6.180832      5.878522      1.883400
  C      -1.578752     -1.316745      4.514409
  C      -1.988003     -1.658803      3.057559
  O      -2.414710     -0.519842      2.291052
  C      -3.440552      0.229086      2.814432
  O      -3.990064     -0.089439      3.909377
  C      -4.059476      1.123534      1.816606
  N      -5.299694      1.516548      2.175761
  C      -5.945405      2.380536      1.380861
  N      -5.500745      2.948849      0.264963
  C      -4.248732      2.568852     -0.134144
  C      -3.724308      3.166863     -1.305456
  C      -2.472950      2.815763     -1.777063
  C      -1.707418      1.855830     -1.087024
  C      -2.187394      1.263058      0.072170
  C      -3.464171      1.601137      0.589535
  C      -4.311852     -0.508061      6.944911
  C      -5.317899     -0.112454      8.034695
  O      -5.858906      1.204845      7.818943
  C      -6.795460      1.303592      6.836008
  O      -7.196982      0.349438      6.184275
  C      -7.320722      2.719558      6.784982
  N      -6.592064      3.669896      7.371449
  C      -7.099685      4.917273      7.415027
  N      -8.258959      5.342769      6.943154
  C      -9.035251      4.387803      6.349718
  C     -10.298256      4.768719      5.833604
  C     -11.128578      3.831333      5.253616
  C     -10.727060      2.480115      5.166845
  C      -9.495611      2.078301      5.651455
  C      -8.617913      3.017069      6.251345
  H      -2.851529      4.394756      7.691343
  H      -4.251302      3.649586      6.895087
  H      -2.750136      5.865432      5.441723
  H      -3.843535      6.252704      6.812642
  H      -8.703477      3.609117      3.617112
  H      -8.830071      5.953416     -0.314229
  H      -7.230791      7.432386     -1.549367
  H      -4.987876      7.916187     -0.581553
  H      -4.310308      6.963639      1.571535
  H      -2.426871     -1.568758      5.165090
  H      -0.724755     -1.962023      4.787943
  H      -2.803311     -2.399162      3.067650
  H      -1.140270     -2.050271      2.481155
  H      -6.951643      2.665194      1.712622
  H      -4.351055      3.909439     -1.804621
  H      -2.076743      3.278570     -2.682882
  H      -0.721507      1.577744     -1.464335
  H      -1.578476      0.523691      0.587765
  H      -4.848520     -0.530726      5.990252
  H      -4.001113     -1.547692      7.179011
  H      -6.132837     -0.852131      8.038444
  H      -4.858987     -0.054188      9.030674
  H      -6.468685      5.664064      7.909634
  H     -10.584899      5.817912      5.917781
  H     -12.101122      4.132577      4.859926
  H     -11.392611      1.746685      4.708787
  H      -9.177408      1.041130      5.571516
  N      -2.122846      2.639217      3.298708
  H      -1.764679      2.089777      2.511313
  H      -1.410580      3.362359      3.444449
  H      -2.944299      3.133585      2.950025
  N      -4.638274      2.038028      5.207052
  N      -5.731688      2.314095      5.243787
101
Coordinates from ORCA-job orca E -6762.505845965901
  N      -2.382685      3.291882      5.957754
  Mo     -2.625125      1.444684      5.173787
  N      -3.138036      0.353544      6.798238
  C      -2.141280      0.054767      7.811178
  C      -1.175359      1.206505      7.997598
  N      -0.534491      1.599744      6.727351
  C      -0.082125      2.996508      6.749127
  C      -1.043084      3.841006      5.888007
  C       0.486467      0.651518      6.247562
  C       0.182545      0.407326      4.759798
  N      -1.218498      0.072880      4.708585
  H      -0.642292      3.830580      4.862768
  H      -1.018879      4.892983      6.216415
  H       0.933915      3.075238      6.339444
  H      -0.058108      3.369554      7.784899
  H       0.819143     -0.390538      4.339960
  H       0.393394      1.336534      4.198927
  H       0.390038     -0.299062      6.789156
  H       1.502927      1.046543      6.408815
  H      -2.614731     -0.142573      8.790637
  H      -1.585543     -0.872969      7.542348
  H      -1.737890      2.076040      8.362938
  H      -0.405749      0.944030      8.748512
  C      -3.302350      4.149284      6.699146
  C      -3.615094      5.508149      6.045078
  O      -4.795959      5.484724      5.195085
  C      -4.627064      5.387916      3.869292
  O      -3.547651      5.370178      3.291929
  C      -5.952447      5.269618      3.152005
  N      -6.858957      4.518393      3.755822
  C      -8.031669      4.311308      3.108261
  N      -8.397708      4.822422      1.946972
  C      -7.486153      5.625356      1.323379
  C      -7.833010      6.191480      0.072056
  C      -6.933135      6.989510     -0.598770
  C      -5.661369      7.259116     -0.039553
  C      -5.295245      6.731990      1.181502
  C      -6.192432      5.891293      1.889724
  C      -1.562233     -1.314589      4.504532
  C      -1.970243     -1.665325      3.051113
  O      -2.408062     -0.537415      2.273593
  C      -3.436566      0.208735      2.786353
  O      -3.962398     -0.080612      3.904470
  C      -4.058405      1.102657      1.799934
  N      -5.289022      1.520085      2.173129
  C      -5.926681      2.391600      1.382750
  N      -5.484766      2.954062      0.261613
  C      -4.241771      2.554960     -0.148366
  C      -3.715204      3.148370     -1.321079
  C      -2.472256      2.781328     -1.802506
  C      -1.716629      1.808498     -1.120652
  C      -2.198373      1.219441      0.039889
  C      -3.466251      1.574220      0.567096
  C      -4.312532     -0.501461      6.933897
  C      -5.313018     -0.117765      8.030298
  O      -5.871646      1.197878      7.839219
  C      -6.823978      1.294748      6.870919
  O      -7.237962      0.340174      6.230980
  C      -7.347915      2.711278      6.823093
  N      -6.620345      3.653846      7.418551
  C      -7.123922      4.903699      7.465280
  N      -8.280044      5.332927      6.990277
  C      -9.054252      4.384040      6.384148
  C     -10.310429      4.774124      5.858374
  C     -11.135871      3.845641      5.258294
  C     -10.734730      2.494852      5.159716
  C      -9.510435      2.084376      5.654064
  C      -8.638709      3.013429      6.277933
  H      -2.859639      4.386894      7.688224
  H      -4.252459      3.637944      6.894055
  H      -2.767775      5.875282      5.450434
  H      -3.864286      6.240881      6.823565
  H      -8.740083      3.649098      3.619626
  H      -8.820623      5.964878     -0.331300
  H      -7.199258      7.421506     -1.565101
  H      -4.962839      7.900856     -0.579324
  H      -4.313798      6.963794      1.590736
  H      -2.405266     -1.571077      5.160322
  H      -0.705117     -1.956301      4.778564
  H      -2.777823     -2.414237      3.066683
  H      -1.120151     -2.054701      2.476647
  H      -6.925422      2.693499      1.722164
  H      -4.333012      3.902555     -1.813559
  H      -2.075697      3.241969     -2.709364
  H      -0.737352      1.516352     -1.504818
  H      -1.597549      0.469784      0.549454
  H      -4.847439     -0.526315      5.977999
  H      -3.998621     -1.541456      7.162765
  H      -6.124402     -0.861255      8.036937
  H      -4.843948     -0.067173      9.022071
  H      -6.492797      5.646559      7.965397
  H     -10.594355      5.823539      5.949269
  H     -12.102426      4.154045      4.855560
  H     -11.395001      1.768397      4.683184
  H      -9.192950      1.047972      5.563870
  N      -2.078362      2.660283      3.285561
  H      -1.714126      2.112008      2.499567
  H      -1.370829      3.385259      3.438206
  H      -2.899610      3.154799      2.933744
  N      -4.618584      2.040109      5.170983
  N      -5.713097      2.311132      5.212724
101
Coordinates from ORCA-job orca E -6762.515114572790
  N      -2.382138      3.296808      5.959506
  Mo     -2.615613      1.448983      5.173322
  N      -3.139822      0.363063      6.792060
  C      -2.145476      0.060382      7.806163
  C      -1.180491      1.210472      7.997031
  N      -0.534749      1.605791      6.729675
  C      -0.085495      3.004071      6.761000
  C      -1.044663      3.850409      5.900919
  C       0.486704      0.660178      6.245862
  C       0.188559      0.422402      4.756133
  N      -1.209763      0.080500      4.696477
  H      -0.634193      3.851303      4.879512
  H      -1.026081      4.901098      6.234498
  H       0.933897      3.086627      6.360292
  H      -0.067598      3.368771      7.799876
  H       0.830709     -0.371180      4.336137
  H       0.400457      1.353447      4.198920
  H       0.388748     -0.292843      6.783012
  H       1.501761      1.055607      6.415504
  H      -2.619781     -0.138359      8.785022
  H      -1.591189     -0.868661      7.539285
  H      -1.743352      2.080830      8.359579
  H      -0.413665      0.950016      8.751608
  C      -3.307904      4.145710      6.702737
  C      -3.627294      5.505498      6.059361
  O      -4.809368      5.479365      5.211584
  C      -4.640199      5.391289      3.885333
  O      -3.560719      5.366199      3.308845
  C      -5.967265      5.287798      3.168560
  N      -6.883207      4.549126      3.773868
  C      -8.051041      4.342302      3.117358
  N      -8.404268      4.843407      1.947963
  C      -7.483656      5.636011      1.324278
  C      -7.814779      6.191240      0.063990
  C      -6.903437      6.977206     -0.605712
  C      -5.636297      7.247068     -0.036107
  C      -5.285648      6.730147      1.193774
  C      -6.194192      5.900644      1.899857
  C      -1.547884     -1.308387      4.493146
  C      -1.953979     -1.666410      3.042549
  O      -2.403514     -0.548861      2.256388
  C      -3.435029      0.193570      2.758763
  O      -3.933854     -0.065506      3.899722
  C      -4.058981      1.086683      1.782153
  N      -5.280038      1.526723      2.168306
  C      -5.911895      2.402921      1.380812
  N      -5.474158      2.957266      0.253038
  C      -4.239747      2.541121     -0.167266
  C      -3.713994      3.127483     -1.343772
  C      -2.479139      2.746012     -1.834930
  C      -1.730904      1.764097     -1.158968
  C      -2.212228      1.180818      0.004974
  C      -3.471172      1.550943      0.542306
  C      -4.315521     -0.490155      6.920507
  C      -5.307316     -0.119647      8.026824
  O      -5.879470      1.194397      7.860171
  C      -6.848806      1.289969      6.909373
  O      -7.274324      0.333544      6.280788
  C      -7.373993      2.704801      6.861270
  N      -6.647482      3.643381      7.462164
  C      -7.148898      4.895159      7.506798
  N      -8.302705      5.324333      7.027731
  C      -9.073909      4.379121      6.412581
  C     -10.324064      4.775081      5.876951
  C     -11.143097      3.852252      5.260151
  C     -10.740016      2.502437      5.153498
  C      -9.522142      2.086331      5.658129
  C      -8.658157      3.008741      6.302698
  H      -2.866311      4.378031      7.693953
  H      -4.252832      3.626714      6.902265
  H      -2.782882      5.884610      5.468181
  H      -3.882577      6.230633      6.843095
  H      -8.766856      3.688584      3.628409
  H      -8.799350      5.965502     -0.347134
  H      -7.157123      7.399849     -1.579446
  H      -4.929442      7.880323     -0.574922
  H      -4.309104      6.962238      1.614241
  H      -2.385165     -1.571329      5.153949
  H      -0.686878     -1.945819      4.766284
  H      -2.752586     -2.424952      3.061806
  H      -1.100921     -2.051254      2.469390
  H      -6.904139      2.718447      1.726419
  H      -4.325009      3.889613     -1.832039
  H      -2.084251      3.202469     -2.744602
  H      -0.758364      1.458949     -1.550053
  H      -1.617447      0.423498      0.509505
  H      -4.850130     -0.513529      5.964258
  H      -4.000355     -1.531743      7.141332
  H      -6.115659     -0.866294      8.036955
  H      -4.826765     -0.078527      9.013560
  H      -6.518740      5.637150      8.009080
  H     -10.606892      5.824377      5.971600
  H     -12.104279      4.164726      4.848062
  H     -11.393861      1.780840      4.661078
  H      -9.204001      1.050919      5.561135
  N      -2.045944      2.675579      3.271507
  H      -1.680223      2.124459      2.488186
  H      -1.342871      3.403652      3.426082
  H      -2.869433      3.167287      2.919311
  N      -4.601477      2.045904      5.137352
  N      -5.694240      2.310299      5.184759
101
Coordinates from ORCA-job orca E -6762.522618099786
  N      -2.384260      3.302595      5.965017
  Mo     -2.605715      1.455521      5.175018
  N      -3.142366      0.373312      6.783235
  C      -2.151141      0.063094      7.798920
  C      -1.187106      1.211502      7.996816
  N      -0.537218      1.612217      6.732914
  C      -0.091257      3.012173      6.774974
  C      -1.049419      3.861139      5.916966
  C       0.486020      0.671146      6.244197
  C       0.194068      0.443096      4.752305
  N      -1.201657      0.093413      4.682985
  H      -0.633550      3.873989      4.897392
  H      -1.036153      4.909938      6.257342
  H       0.931022      3.098885      6.382476
  H      -0.078949      3.368474      7.816838
  H       0.842607     -0.344736      4.330812
  H       0.405539      1.377344      4.200621
  H       0.387089     -0.285566      6.774837
  H       1.499674      1.066546      6.422634
  H      -2.626786     -0.139591      8.776298
  H      -1.598981     -0.866530      7.530758
  H      -1.751573      2.080986      8.358724
  H      -0.423140      0.951664      8.754539
  C      -3.317254      4.140433      6.711080
  C      -3.645813      5.501015      6.076948
  O      -4.827014      5.469882      5.229194
  C      -4.655299      5.389763      3.902091
  O      -3.574304      5.361667      3.329142
  C      -5.981626      5.298982      3.183482
  N      -6.908126      4.573083      3.789256
  C      -8.070202      4.366643      3.122660
  N      -8.408777      4.855996      1.944051
  C      -7.478649      5.637803      1.321218
  C      -7.792683      6.181124      0.051588
  C      -6.869594      6.955427     -0.615632
  C      -5.608281      7.226990     -0.034193
  C      -5.274149      6.721074      1.204754
  C      -6.194272      5.902069      1.907791
  C      -1.531342     -1.297640      4.479219
  C      -1.932957     -1.661706      3.029882
  O      -2.394748     -0.554145      2.236642
  C      -3.431079      0.182638      2.729267
  O      -3.901361     -0.046820      3.891149
  C      -4.056691      1.073791      1.760437
  N      -5.268699      1.534905      2.156987
  C      -5.894908      2.414251      1.370195
  N      -5.460169      2.959245      0.235941
  C      -4.233580      2.526953     -0.192243
  C      -3.708079      3.104749     -1.372877
  C      -2.480357      2.709052     -1.871287
  C      -1.739687      1.720020     -1.198344
  C      -2.221687      1.144104     -0.030653
  C      -3.472345      1.529332      0.514131
  C      -4.320011     -0.478173      6.901777
  C      -5.302976     -0.123538      8.019552
  O      -5.885671      1.189271      7.877760
  C      -6.873686      1.287459      6.947961
  O      -7.313053      0.331174      6.328471
  C      -7.399859      2.700460      6.903050
  N      -6.671581      3.634050      7.509116
  C      -7.169361      4.888057      7.554053
  N      -8.321539      5.319157      7.074518
  C      -9.092198      4.379716      6.450934
  C     -10.337458      4.783524      5.909782
  C     -11.152147      3.868103      5.276829
  C     -10.748386      2.519326      5.158389
  C      -9.536096      2.095436      5.669352
  C      -8.677836      3.009213      6.333877
  H      -2.877825      4.368758      7.704525
  H      -4.256507      3.612258      6.913607
  H      -2.803926      5.892117      5.490115
  H      -3.909000      6.218503      6.865270
  H      -8.794426      3.721857      3.632136
  H      -8.773381      5.955601     -0.368705
  H      -7.109843      7.368028     -1.597032
  H      -4.893038      7.852145     -0.571293
  H      -4.303418      6.954063      1.637909
  H      -2.363199     -1.569440      5.143457
  H      -0.665625     -1.929472      4.751395
  H      -2.721042     -2.431309      3.050128
  H      -1.075317     -2.039176      2.458576
  H      -6.881429      2.741797      1.719879
  H      -4.312356      3.873061     -1.859512
  H      -2.086351      3.159984     -2.784071
  H      -0.773257      1.402176     -1.594409
  H      -1.632796      0.380520      0.471051
  H      -4.854704     -0.495818      5.945514
  H      -4.004615     -1.522339      7.111215
  H      -6.108027     -0.873558      8.031752
  H      -4.811312     -0.093665      9.001178
  H      -6.538106      5.627928      8.057744
  H     -10.618216      5.832677      6.010968
  H     -12.108846      4.185921      4.858623
  H     -11.397553      1.804315      4.650464
  H      -9.218488      1.060935      5.563193
  N      -2.020600      2.687181      3.258483
  H      -1.654705      2.131216      2.478869
  H      -1.322610      3.419761      3.412950
  H      -2.847877      3.173412      2.906706
  N      -4.586348      2.054291      5.104095
  N      -5.681445      2.313889      5.158798
101
Coordinates from ORCA-job orca E -6762.528702676495
  N      -2.386353      3.308386      5.974364
  Mo     -2.594408      1.461949      5.182307
  N      -3.142705      0.383695      6.778886
  C      -2.153865      0.064372      7.795534
  C      -1.190457      1.211328      7.999586
  N      -0.539033      1.618472      6.738024
  C      -0.096166      3.020159      6.789539
  C      -1.053995      3.871731      5.934579
  C       0.486896      0.682645      6.244458
  C       0.200280      0.464908      4.750904
  N      -1.193150      0.107715      4.672516
  H      -0.636633      3.895657      4.915485
  H      -1.045191      4.918450      6.282135
  H       0.928210      3.110512      6.403321
  H      -0.088000      3.369155      7.833872
  H       0.855094     -0.316608      4.327025
  H       0.409783      1.402823      4.205045
  H       0.387685     -0.277833      6.768479
  H       1.499306      1.077814      6.430698
  H      -2.630039     -0.143005      8.771531
  H      -1.604503     -0.865411      7.523750
  H      -1.756892      2.079164      8.362280
  H      -0.428158      0.951862      8.759066
  C      -3.325901      4.134230      6.724761
  C      -3.665103      5.495910      6.100324
  O      -4.844572      5.459848      5.251607
  C      -4.668615      5.387596      3.923778
  O      -3.585261      5.357695      3.355982
  C      -5.992749      5.311396      3.201073
  N      -6.932477      4.601458      3.806629
  C      -8.089833      4.400272      3.130621
  N      -8.412130      4.879445      1.943084
  C      -7.469752      5.647452      1.321780
  C      -7.765681      6.181598      0.043980
  C      -6.829047      6.942475     -0.619801
  C      -5.572381      7.210818     -0.026989
  C      -5.255275      6.712668      1.219449
  C      -6.189185      5.906235      1.919007
  C      -1.513472     -1.286083      4.469692
  C      -1.909783     -1.656960      3.021318
  O      -2.383497     -0.559624      2.220860
  C      -3.425417      0.171547      2.704774
  O      -3.865804     -0.028239      3.885645
  C      -4.054062      1.060233      1.742380
  N      -5.256607      1.538319      2.153549
  C      -5.883720      2.418991      1.370346
  N      -5.458867      2.954921      0.227450
  C      -4.240763      2.510121     -0.213793
  C      -3.724612      3.079566     -1.402316
  C      -2.505318      2.673777     -1.913924
  C      -1.764723      1.681642     -1.246477
  C      -2.238714      1.112421     -0.071719
  C      -3.479590      1.508368      0.486800
  C      -4.323045     -0.465574      6.887558
  C      -5.297720     -0.125615      8.016297
  O      -5.888170      1.186342      7.894107
  C      -6.893873      1.284767      6.985265
  O      -7.344134      0.327764      6.374777
  C      -7.422058      2.696125      6.938064
  N      -6.693367      3.628332      7.545476
  C      -7.187627      4.884666      7.583234
  N      -8.337467      5.315512      7.098992
  C      -9.106053      4.378240      6.470528
  C     -10.345826      4.786204      5.919789
  C     -11.154351      3.874508      5.274080
  C     -10.748915      2.526429      5.151375
  C      -9.542932      2.098071      5.672898
  C      -8.692340      3.007160      6.353943
  H      -2.887844      4.359244      7.719786
  H      -4.259282      3.596578      6.929616
  H      -2.825535      5.898610      5.518078
  H      -3.936110      6.205238      6.893475
  H      -8.825396      3.767775      3.638830
  H      -8.743420      5.960273     -0.385204
  H      -7.055193      7.347270     -1.607755
  H      -4.847109      7.826206     -0.561817
  H      -4.288989      6.942031      1.664219
  H      -2.340392     -1.566605      5.136585
  H      -0.642740     -1.911405      4.741573
  H      -2.686957     -2.437709      3.042192
  H      -1.046955     -2.026452      2.452492
  H      -6.864184      2.755290      1.728853
  H      -4.328299      3.850241     -1.885654
  H      -2.119094      3.119228     -2.832678
  H      -0.805498      1.354504     -1.652304
  H      -1.649931      0.345653      0.424460
  H      -4.858621     -0.474923      5.931720
  H      -4.008347     -1.512656      7.084230
  H      -6.099667     -0.878734      8.030415
  H      -4.796689     -0.105185      8.993301
  H      -6.556033      5.625020      8.085547
  H     -10.625504      5.835473      6.021848
  H     -12.106120      4.194821      4.846793
  H     -11.392033      1.815215      4.630645
  H      -9.225066      1.064119      5.563869
  N      -2.002181      2.691384      3.248060
  H      -1.638548      2.128128      2.473005
  H      -1.309349      3.429337      3.398226
  H      -2.834675      3.169922      2.897576
  N      -4.572128      2.061397      5.073955
  N      -5.664062      2.313892      5.133921
101
Coordinates from ORCA-job orca E -6762.533625154259
  N      -2.393078      3.317494      5.987440
  Mo     -2.586394      1.473866      5.189507
  N      -3.147724      0.393380      6.769130
  C      -2.161729      0.060108      7.786027
  C      -1.199269      1.205460      8.000821
  N      -0.547319      1.624417      6.742836
  C      -0.106840      3.027561      6.807474
  C      -1.062719      3.884668      5.956906
  C       0.482977      0.696328      6.242790
  C       0.203503      0.495374      4.746677
  N      -1.187727      0.131380      4.656287
  H      -0.645709      3.920629      4.937629
  H      -1.057422      4.928302      6.314409
  H       0.919604      3.121514      6.427596
  H      -0.102932      3.367277      7.854837
  H       0.865016     -0.277675      4.317453
  H       0.410569      1.439554      4.211054
  H       0.383213     -0.270005      6.756137
  H       1.493888      1.090518      6.439347
  H      -2.638891     -0.156178      8.759433
  H      -1.614978     -0.868174      7.505776
  H      -1.768576      2.069505      8.368067
  H      -0.438300      0.943506      8.760668
  C      -3.338486      4.130496      6.742915
  C      -3.685833      5.494187      6.127954
  O      -4.860104      5.455927      5.273843
  C      -4.675496      5.393017      3.945882
  O      -3.587867      5.363410      3.386779
  C      -5.994721      5.319367      3.216000
  N      -6.944754      4.622992      3.822356
  C      -8.094542      4.416509      3.135818
  N      -8.400164      4.875504      1.935792
  C      -7.449002      5.632075      1.314558
  C      -7.727198      6.147358      0.025118
  C      -6.780903      6.897677     -0.636857
  C      -5.532593      7.175296     -0.030933
  C      -5.232292      6.694430      1.226272
  C      -6.175715      5.897651      1.924232
  C      -1.497131     -1.264991      4.450719
  C      -1.884726     -1.639195      3.001074
  O      -2.370091     -0.550648      2.195573
  C      -3.419849      0.172121      2.672843
  O      -3.832070     -0.002030      3.868803
  C      -4.050610      1.055815      1.712901
  N      -5.247424      1.548339      2.128338
  C      -5.871933      2.426164      1.340585
  N      -5.449984      2.950145      0.190661
  C      -4.236660      2.493807     -0.253006
  C      -3.721874      3.050762     -1.447772
  C      -2.506974      2.633675     -1.961617
  C      -1.770506      1.641639     -1.290215
  C      -2.244495      1.083672     -0.109750
  C      -3.479546      1.491978      0.451007
  C      -4.331152     -0.453670      6.864322
  C      -5.297779     -0.132350      8.004713
  O      -5.893255      1.179583      7.905170
  C      -6.918382      1.283103      7.021133
  O      -7.383492      0.329461      6.416247
  C      -7.447560      2.693743      6.982394
  N      -6.715106      3.619977      7.594248
  C      -7.204512      4.878511      7.635934
  N      -8.354515      5.313349      7.156692
  C      -9.124986      4.382985      6.521259
  C     -10.363531      4.798667      5.973324
  C     -11.170483      3.895370      5.314431
  C     -10.764000      2.549132      5.174381
  C      -9.560516      2.112791      5.694532
  C      -8.712901      3.012256      6.392220
  H      -2.902926      4.351402      7.740166
  H      -4.267251      3.584192      6.946470
  H      -2.845913      5.906987      5.553282
  H      -3.966199      6.194946      6.925525
  H      -8.838410      3.794469      3.643756
  H      -8.699200      5.920838     -0.414190
  H      -6.993227      7.287399     -1.633897
  H      -4.800385      7.783256     -0.564762
  H      -4.273540      6.929941      1.683697
  H      -2.320592     -1.556470      5.117265
  H      -0.621356     -1.883413      4.722654
  H      -2.649964     -2.431865      3.018772
  H      -1.014946     -1.997806      2.435733
  H      -6.849584      2.769305      1.698982
  H      -4.322189      3.821230     -1.935412
  H      -2.122084      3.070210     -2.885186
  H      -0.815299      1.304470     -1.697273
  H      -1.658876      0.315970      0.389063
  H      -4.868310     -0.447865      5.909357
  H      -4.018186     -1.504700      7.042411
  H      -6.096983     -0.888189      8.017404
  H      -4.788227     -0.124279      8.977344
  H      -6.569412      5.615324      8.138781
  H     -10.641796      5.847136      6.086266
  H     -12.120667      4.221037      4.887751
  H     -11.404780      1.845588      4.640531
  H      -9.243179      1.080159      5.573419
  N      -1.990715      2.702598      3.241887
  H      -1.628356      2.133457      2.471048
  H      -1.303810      3.446639      3.388766
  H      -2.828642      3.172784      2.892793
  N      -4.563317      2.074945      5.044238
  N      -5.660169      2.323581      5.111680
101
Coordinates from ORCA-job orca E -6762.537563215657
  N      -2.396483      3.322819      5.999906
  Mo     -2.572895      1.478731      5.204612
  N      -3.143869      0.399447      6.772416
  C      -2.158677      0.056538      7.788990
  C      -1.198130      1.202588      8.008436
  N      -0.549858      1.630295      6.750614
  C      -0.112915      3.035756      6.822572
  C      -1.068217      3.895095      5.974638
  C       0.486610      0.709676      6.247159
  C       0.213693      0.520680      4.749415
  N      -1.175124      0.148854      4.649137
  H      -0.653343      3.939476      4.954686
  H      -1.066735      4.936492      6.339099
  H       0.914811      3.132799      6.446884
  H      -0.112269      3.369895      7.871664
  H       0.882099     -0.244132      4.316032
  H       0.416286      1.470133      4.221637
  H       0.387852     -0.260818      6.753078
  H       1.495519      1.104800      6.452246
  H      -2.634926     -0.166136      8.761205
  H      -1.613467     -0.869890      7.501527
  H      -1.770792      2.063113      8.378903
  H      -0.435961      0.941570      8.767248
  C      -3.348899      4.122027      6.759974
  C      -3.710053      5.485971      6.154021
  O      -4.880245      5.439317      5.295572
  C      -4.689017      5.382366      3.967577
  O      -3.598224      5.358187      3.414689
  C      -6.004851      5.328731      3.230301
  N      -6.972144      4.654003      3.834896
  C      -8.120333      4.463695      3.141654
  N      -8.408633      4.918016      1.935232
  C      -7.440646      5.655043      1.316619
  C      -7.700838      6.167947      0.022393
  C      -6.738322      6.900944     -0.635450
  C      -5.490959      7.163591     -0.020894
  C      -5.207025      6.683143      1.240166
  C      -6.167631      5.903412      1.934431
  C      -1.473187     -1.251082      4.446337
  C      -1.852510     -1.632973      2.996463
  O      -2.349953     -0.555104      2.183423
  C      -3.407793      0.159983      2.655240
  O      -3.792470      0.011304      3.863513
  C      -4.045556      1.039428      1.699446
  N      -5.232725      1.542236      2.133902
  C      -5.865932      2.419896      1.353742
  N      -5.461692      2.936511      0.193970
  C      -4.257692      2.472455     -0.268404
  C      -3.762102      3.022319     -1.474316
  C      -2.557112      2.600017     -2.007331
  C      -1.812256      1.608916     -1.344527
  C      -2.268391      1.056252     -0.154167
  C      -3.492274      1.470045      0.426361
  C      -4.330563     -0.445020      6.857453
  C      -5.292673     -0.135345      8.005030
  O      -5.892924      1.176547      7.915615
  C      -6.934684      1.277310      7.052616
  O      -7.408209      0.322890      6.456146
  C      -7.464917      2.688454      7.008131
  N      -6.732203      3.614990      7.618396
  C      -7.215720      4.876541      7.647849
  N      -8.361847      5.311968      7.160435
  C      -9.130397      4.381883      6.522786
  C     -10.362449      4.800505      5.962286
  C     -11.163263      3.899394      5.293494
  C     -10.756659      2.552772      5.155208
  C      -9.560866      2.112901      5.689293
  C      -8.720817      3.009580      6.400052
  H      -2.915101      4.341840      7.758357
  H      -4.271489      3.564803      6.962494
  H      -2.872108      5.911455      5.585733
  H      -4.000853      6.177638      6.955831
  H      -8.879869      3.859849      3.648858
  H      -8.672651      5.954333     -0.423659
  H      -6.936842      7.288396     -1.636189
  H      -4.745958      7.758339     -0.551868
  H      -4.248838      6.905540      1.705318
  H      -2.293768     -1.550779      5.112811
  H      -0.592243     -1.861267      4.720718
  H      -2.605779     -2.437180      3.013679
  H      -0.975895     -1.981854      2.435412
  H      -6.836443      2.768660      1.727124
  H      -4.368884      3.791295     -1.956163
  H      -2.187374      3.031718     -2.939329
  H      -0.865245      1.266819     -1.766331
  H      -1.676673      0.288415      0.336251
  H      -4.868875     -0.425820      5.903242
  H      -4.019905     -1.499210      7.020316
  H      -6.089232     -0.893719      8.018083
  H      -4.778424     -0.132322      8.975066
  H      -6.579436      5.614449      8.147421
  H     -10.639000      5.849743      6.071908
  H     -12.107834      4.226883      4.855952
  H     -11.391473      1.851789      4.610986
  H      -9.244229      1.079920      5.570489
  N      -1.982267      2.696891      3.238117
  H      -1.622864      2.118420      2.473157
  H      -1.301625      3.448332      3.374722
  H      -2.826810      3.155829      2.889870
  N      -4.550067      2.076313      5.019275
  N      -5.642533      2.316878      5.088118
101
Coordinates from ORCA-job orca E -6762.540742894756
  N      -2.407447      3.334957      6.017058
  Mo     -2.569602      1.494283      5.215867
  N      -3.151047      0.405229      6.765622
  C      -2.167051      0.045676      7.779535
  C      -1.208347      1.191088      8.011103
  N      -0.564840      1.635066      6.755611
  C      -0.128844      3.041542      6.842855
  C      -1.080098      3.909265      6.000594
  C       0.478425      0.724533      6.245406
  C       0.214510      0.557939      4.744870
  N      -1.172166      0.180788      4.630007
  H      -0.666596      3.965243      4.980559
  H      -1.080652      4.946455      6.377290
  H       0.900674      3.141372      6.472802
  H      -0.132107      3.364762      7.895243
  H       0.889498     -0.196201      4.303082
  H       0.413949      1.516128      4.231997
  H       0.378750     -0.253273      6.737064
  H       1.485050      1.118401      6.463905
  H      -2.642798     -0.189602      8.748879
  H      -1.623072     -0.876531      7.478326
  H      -1.784077      2.045611      8.390782
  H      -0.444391      0.925688      8.766358
  C      -3.363080      4.120902      6.785050
  C      -3.729071      5.488977      6.191312
  O      -4.890215      5.445876      5.321976
  C      -4.684727      5.402734      3.995269
  O      -3.587577      5.379620      3.455247
  C      -5.992687      5.339801      3.245513
  N      -6.969488      4.679460      3.851374
  C      -8.109158      4.478154      3.147999
  N      -8.379650      4.904369      1.927101
  C      -7.403377      5.628640      1.307010
  C      -7.645975      6.115618     -0.000634
  C      -6.675942      6.838486     -0.658523
  C      -5.438477      7.116865     -0.031045
  C      -5.170981      6.659999      1.242266
  C      -6.139156      5.890404      1.937307
  C      -1.459241     -1.221704      4.424684
  C      -1.826505     -1.605353      2.972252
  O      -2.334011     -0.534847      2.155165
  C      -3.401306      0.170398      2.622918
  O      -3.764619      0.040203      3.838716
  C      -4.042089      1.042532      1.664356
  N      -5.227542      1.551648      2.097874
  C      -5.862557      2.420480      1.309560
  N      -5.462636      2.923796      0.142374
  C      -4.260271      2.453978     -0.318683
  C      -3.768953      2.988446     -1.533143
  C      -2.566103      2.558921     -2.065487
  C      -1.819929      1.575013     -1.393820
  C      -2.272848      1.036522     -0.195682
  C      -3.493465      1.458926      0.384523
  C      -4.340998     -0.435857      6.835897
  C      -5.296115     -0.143636      7.993056
  O      -5.896600      1.169806      7.921704
  C      -6.957223      1.274440      7.084845
  O      -7.444813      0.324224      6.493265
  C      -7.487491      2.686310      7.051125
  N      -6.750963      3.606805      7.665097
  C      -7.229740      4.870297      7.700333
  N      -8.377342      5.309992      7.220637
  C      -9.148684      4.386188      6.577659
  C     -10.382911      4.810606      6.026059
  C     -11.184130      3.917158      5.347955
  C     -10.775324      2.573102      5.190087
  C      -9.579022      2.127041      5.717314
  C      -8.739775      3.015005      6.440135
  H      -2.931320      4.333984      7.785933
  H      -4.282681      3.556543      6.981800
  H      -2.888021      5.924503      5.635174
  H      -4.031060      6.169709      6.998285
  H      -8.876430      3.886604      3.657005
  H      -8.610936      5.891636     -0.456312
  H      -6.860928      7.205959     -1.669321
  H      -4.687786      7.704117     -0.562308
  H      -4.220880      6.893239      1.718220
  H      -2.279378     -1.531001      5.087278
  H      -0.574459     -1.825143      4.702028
  H      -2.567828     -2.420792      2.983948
  H      -0.941719     -1.941906      2.416398
  H      -6.833164      2.770580      1.680005
  H      -4.377330      3.750820     -2.023198
  H      -2.199798      2.979076     -3.004074
  H      -0.874992      1.226460     -1.814928
  H      -1.680499      0.273187      0.301137
  H      -4.881944     -0.393624      5.883757
  H      -4.034684     -1.494564      6.974773
  H      -6.091916     -0.902575      8.002159
  H      -4.776277     -0.151768      8.959974
  H      -6.589307      5.604375      8.200041
  H     -10.659520      5.858348      6.148667
  H     -12.129924      4.248815      4.916317
  H     -11.409492      1.879230      4.636135
  H      -9.262274      1.095693      5.585886
  N      -1.984169      2.712314      3.240324
  H      -1.625551      2.129082      2.479136
  H      -1.310292      3.470927      3.370660
  H      -2.834609      3.161579      2.893555
  N      -4.547495      2.091024      4.996387
  N      -5.643327      2.326954      5.069846
101
Coordinates from ORCA-job orca E -6762.543277388880
  N      -2.415010      3.342173      6.028871
  Mo     -2.560005      1.501229      5.231527
  N      -3.148021      0.405711      6.769765
  C      -2.163918      0.036810      7.781903
  C      -1.209286      1.184900      8.019131
  N      -0.574054      1.640596      6.762398
  C      -0.140766      3.049432      6.858284
  C      -1.089402      3.920866      6.017745
  C       0.478377      0.739672      6.250007
  C       0.224604      0.589880      4.747109
  N      -1.159236      0.205589      4.618317
  H      -0.677480      3.984107      4.997389
  H      -1.093351      4.955209      6.402284
  H       0.890256      3.151924      6.493137
  H      -0.148502      3.366295      7.912454
  H       0.907221     -0.153714      4.299242
  H       0.419256      1.555627      4.246773
  H       0.379128     -0.243647      6.730860
  H       1.481596      1.134888      6.481447
  H      -2.638027     -0.207596      8.749664
  H      -1.618688     -0.880735      7.470637
  H      -1.789154      2.033802      8.405336
  H      -0.441241      0.919944      8.770106
  C      -3.377208      4.112684      6.802926
  C      -3.757559      5.480965      6.219041
  O      -4.911465      5.427374      5.341342
  C      -4.696612      5.390281      4.015595
  O      -3.595428      5.383927      3.483337
  C      -5.999866      5.344330      3.256017
  N      -6.993743      4.707465      3.860008
  C      -8.132881      4.524387      3.151551
  N      -8.386662      4.944902      1.924988
  C      -7.393003      5.646280      1.306400
  C      -7.618782      6.129137     -0.005775
  C      -6.633020      6.832370     -0.661356
  C      -5.395439      7.094214     -0.027194
  C      -5.143237      6.639443      1.250000
  C      -6.128208      5.889538      1.943320
  C      -1.434017     -1.200627      4.415837
  C      -1.788636     -1.590297      2.961389
  O      -2.308207     -0.529398      2.138302
  C      -3.385314      0.165187      2.603699
  O      -3.731033      0.051000      3.823616
  C      -4.034652      1.030782      1.645584
  N      -5.211540      1.548496      2.093034
  C      -5.853464      2.416198      1.309170
  N      -5.467852      2.910470      0.133470
  C      -4.274387      2.431863     -0.341886
  C      -3.798626      2.956226     -1.566881
  C      -2.605246      2.518473     -2.113582
  C      -1.853380      1.536041     -1.446216
  C      -2.291358      1.006736     -0.238522
  C      -3.501737      1.437714      0.356319
  C      -4.340696     -0.432629      6.829295
  C      -5.293690     -0.149859      7.990677
  O      -5.895796      1.164464      7.924417
  C      -6.973149      1.267001      7.110121
  O      -7.471233      0.317222      6.527038
  C      -7.502212      2.680662      7.076979
  N      -6.763708      3.598312      7.692117
  C      -7.235590      4.864655      7.722405
  N      -8.379687      5.308371      7.238566
  C      -9.151629      4.387923      6.591819
  C     -10.380972      4.818072      6.033645
  C     -11.179433      3.929761      5.346035
  C     -10.772742      2.585275      5.184817
  C      -9.582729      2.133019      5.720350
  C      -8.747041      3.015353      6.454320
  H      -2.947879      4.323727      7.805356
  H      -4.291015      3.537044      6.994482
  H      -2.918079      5.931993      5.672901
  H      -4.074034      6.150354      7.029964
  H      -8.916169      3.954321      3.660753
  H      -8.584322      5.918509     -0.466516
  H      -6.805242      7.196607     -1.675557
  H      -4.631937      7.666369     -0.556678
  H      -4.192437      6.859015      1.730939
  H      -2.254571     -1.517160      5.074388
  H      -0.545458     -1.795841      4.699289
  H      -2.516991     -2.417500      2.969798
  H      -0.895501     -1.914340      2.411336
  H      -6.816963      2.773380      1.691469
  H      -4.411561      3.716871     -2.053915
  H      -2.250998      2.931003     -3.060150
  H      -0.915997      1.180841     -1.878499
  H      -1.695262      0.243799      0.254252
  H      -4.882658     -0.372054      5.878613
  H      -4.038790     -1.494612      6.950159
  H      -6.088241     -0.909813      7.998285
  H      -4.772038     -0.160586      8.956518
  H      -6.592414      5.596946      8.221035
  H     -10.654870      5.866352      6.157655
  H     -12.121141      4.265611      4.908755
  H     -11.403828      1.896260      4.621383
  H      -9.268225      1.101265      5.587351
  N      -1.985646      2.710757      3.243268
  H      -1.626533      2.119696      2.488503
  H      -1.319765      3.478353      3.361577
  H      -2.842506      3.146743      2.895532
  N      -4.538844      2.090808      4.976331
  N      -5.636545      2.320700      5.048397
101
Coordinates from ORCA-job orca E -6762.545326904457
  N      -2.428967      3.354272      6.044012
  Mo     -2.560137      1.515503      5.245084
  N      -3.151853      0.405611      6.769697
  C      -2.166880      0.024862      7.777782
  C      -1.216629      1.175031      8.024163
  N      -0.592205      1.646470      6.766485
  C      -0.159715      3.056625      6.876266
  C      -1.104375      3.935369      6.040604
  C       0.469245      0.756328      6.249539
  C       0.225941      0.629056      4.744269
  N      -1.155297      0.239415      4.599556
  H      -0.692889      4.008876      5.020872
  H      -1.110928      4.965373      6.436697
  H       0.873014      3.161795      6.516750
  H      -0.172113      3.363149      7.933258
  H       0.915508     -0.102782      4.287918
  H       0.416628      1.603936      4.260368
  H       0.369207     -0.234073      6.715561
  H       1.468791      1.151336      6.496659
  H      -2.638759     -0.232283      8.743233
  H      -1.619624     -0.886300      7.453097
  H      -1.799764      2.016786      8.421163
  H      -0.442807      0.907676      8.767979
  C      -3.393650      4.108759      6.829813
  C      -3.780281      5.482650      6.263643
  O      -4.922863      5.434419      5.371845
  C      -4.690655      5.417698      4.048490
  O      -3.581936      5.415043      3.531944
  C      -5.983829      5.359957      3.272075
  N      -6.989560      4.740453      3.875267
  C      -8.121744      4.552627      3.157434
  N      -8.356567      4.947915      1.918592
  C      -7.351144      5.631675      1.299334
  C      -7.558674      6.090963     -0.024331
  C      -6.563302      6.780621     -0.679787
  C      -5.333472      7.050986     -0.034398
  C      -5.097973      6.616948      1.253296
  C      -6.093286      5.881682      1.947728
  C      -1.418997     -1.170149      4.399766
  C      -1.759269     -1.564099      2.943332
  O      -2.288167     -0.510816      2.115484
  C      -3.374485      0.174527      2.577395
  O      -3.709895      0.071613      3.798566
  C      -4.029008      1.032599      1.614677
  N      -5.203355      1.552235      2.066253
  C      -5.853679      2.410613      1.279136
  N      -5.479804      2.892619      0.094793
  C      -4.289847      2.410941     -0.386209
  C      -3.828850      2.919969     -1.623317
  C      -2.640925      2.477261     -2.177577
  C      -1.880287      1.504289     -1.506280
  C      -2.304091      0.989163     -0.287509
  C      -3.508209      1.426363      0.316036
  C      -4.346605     -0.429902      6.817493
  C      -5.294959     -0.158531      7.984830
  O      -5.895689      1.157686      7.926788
  C      -6.990250      1.260009      7.137023
  O      -7.499359      0.311842      6.561457
  C      -7.517750      2.675383      7.110399
  N      -6.777229      3.588678      7.728919
  C      -7.244741      4.856827      7.761528
  N      -8.388212      5.304398      7.279735
  C      -9.161301      4.388403      6.628082
  C     -10.390610      4.823032      6.073106
  C     -11.188382      3.940293      5.377738
  C     -10.780796      2.597300      5.204808
  C      -9.592202      2.140162      5.739024
  C      -8.757980      3.016246      6.482228
  H      -2.965521      4.309448      7.834955
  H      -4.304293      3.525210      7.012521
  H      -2.938241      5.949297      5.734635
  H      -4.111759      6.135699      7.081813
  H      -8.915871      3.999388      3.668142
  H      -8.519029      5.874673     -0.493208
  H      -6.721740      7.127161     -1.702388
  H      -4.561972      7.612363     -0.563830
  H      -4.152538      6.841683      1.742007
  H      -2.241764     -1.492407      5.052599
  H      -0.528214     -1.758567      4.690757
  H      -2.475643     -2.401828      2.946818
  H      -0.857741     -1.875639      2.399690
  H      -6.816133      2.766968      1.664282
  H      -4.449621      3.671691     -2.114193
  H      -2.298143      2.877888     -3.133438
  H      -0.947423      1.144713     -1.944678
  H      -1.702037      0.232801      0.207467
  H      -4.891242     -0.347196      5.869814
  H      -4.049845     -1.495313      6.916313
  H      -6.089874     -0.917838      7.989857
  H      -4.770281     -0.174381      8.948917
  H      -6.599225      5.586150      8.261411
  H     -10.664304      5.870392      6.204996
  H     -12.129876      4.279460      4.942587
  H     -11.410604      1.913544      4.633621
  H      -9.278244      1.109196      5.599074
  N      -1.998574      2.725817      3.251073
  H      -1.638112      2.130010      2.501059
  H      -1.340969      3.502080      3.358913
  H      -2.861753      3.149362      2.903376
  N      -4.539792      2.096948      4.961178
  N      -5.636177      2.319989      5.031696
101
Coordinates from ORCA-job orca E -6762.547029065145
  N      -2.441154      3.363756      6.052634
  Mo     -2.558754      1.526009      5.256830
  N      -3.151106      0.402718      6.771363
  C      -2.165384      0.014810      7.776742
  C      -1.220578      1.168473      8.029192
  N      -0.608457      1.652489      6.768808
  C      -0.176947      3.064535      6.888796
  C      -1.118160      3.948151      6.055227
  C       0.462413      0.772030      6.249815
  C       0.230311      0.665014      4.742458
  N      -1.148056      0.269930      4.581275
  H      -0.707134      4.028989      5.035882
  H      -1.127748      4.974855      6.459706
  H       0.857537      3.171839      6.535115
  H      -0.194789      3.363530      7.947668
  H       0.927125     -0.055366      4.279048
  H       0.416899      1.648252      4.274130
  H       0.361298     -0.224598      6.702169
  H       1.457801      1.167163      6.512819
  H      -2.635291     -0.252535      8.740290
  H      -1.614751     -0.890220      7.442051
  H      -1.807115      2.003394      8.435614
  H      -0.439930      0.900995      8.765388
  C      -3.410282      4.101281      6.848161
  C      -3.810633      5.475836      6.294617
  O      -4.943109      5.418320      5.391455
  C      -4.699026      5.411686      4.069900
  O      -3.585669      5.436335      3.563719
  C      -5.985714      5.362538      3.282070
  N      -7.006355      4.763924      3.882117
  C      -8.136904      4.591589      3.158602
  N      -8.355810      4.979541      1.914439
  C      -7.334240      5.640414      1.296800
  C      -7.525161      6.092189     -0.031869
  C      -6.515243      6.762325     -0.685327
  C      -5.286318      7.018768     -0.032930
  C      -5.066324      6.590434      1.259569
  C      -6.077178      5.875448      1.952599
  C      -1.400350     -1.143271      4.386289
  C      -1.725303     -1.542706      2.927694
  O      -2.265351     -0.498120      2.095058
  C      -3.360323      0.177000      2.555115
  O      -3.690775      0.081388      3.775057
  C      -4.021246      1.027497      1.588724
  N      -5.187785      1.557497      2.047422
  C      -5.839922      2.414768      1.260323
  N      -5.473633      2.885545      0.069369
  C      -4.292429      2.391085     -0.419899
  C      -3.840355      2.886161     -1.666024
  C      -2.662051      2.429038     -2.228785
  C      -1.902145      1.455609     -1.557081
  C      -2.316844      0.954530     -0.329681
  C      -3.511023      1.406569      0.282494
  C      -4.347637     -0.430173      6.811405
  C      -5.292655     -0.164221      7.982585
  O      -5.891374      1.153523      7.925783
  C      -7.002200      1.254251      7.159404
  O      -7.523633      0.306097      6.595099
  C      -7.527630      2.670890      7.137773
  N      -6.785600      3.580158      7.760332
  C      -7.249425      4.849606      7.795248
  N      -8.390996      5.301256      7.313016
  C      -9.164569      4.389791      6.655819
  C     -10.391799      4.829371      6.100213
  C     -11.188289      3.951885      5.396887
  C     -10.781532      2.609538      5.216494
  C      -9.596120      2.147117      5.752921
  C      -8.763554      3.017504      6.504523
  H      -2.983591      4.296458      7.855029
  H      -4.315657      3.507380      7.023667
  H      -2.970340      5.961587      5.780099
  H      -4.160176      6.113686      7.117258
  H      -8.945425      4.059235      3.668615
  H      -8.485240      5.886336     -0.505926
  H      -6.661096      7.103337     -1.711624
  H      -4.502665      7.564858     -0.560493
  H      -4.121012      6.803912      1.753340
  H      -2.226243     -1.469980      5.032728
  H      -0.508017     -1.724692      4.686734
  H      -2.428439     -2.391652      2.926598
  H      -0.815315     -1.840454      2.390397
  H      -6.795749      2.780950      1.652049
  H      -4.460592      3.638234     -2.156891
  H      -2.325982      2.818687     -3.191519
  H      -0.976751      1.085051     -2.002066
  H      -1.715652      0.197960      0.166314
  H      -4.894781     -0.330295      5.866662
  H      -4.056142     -1.498175      6.893634
  H      -6.088171     -0.922639      7.988058
  H      -4.765613     -0.180404      8.945345
  H      -6.602557      5.575968      8.297566
  H     -10.664420      5.876310      6.237368
  H     -12.128136      4.294734      4.961098
  H     -11.409798      1.930656      4.637885
  H      -9.283450      1.116406      5.608323
  N      -2.010949      2.734881      3.258328
  H      -1.645021      2.133539      2.515571
  H      -1.363411      3.521163      3.354944
  H      -2.880100      3.143333      2.907201
  N      -4.539021      2.096592      4.947322
  N      -5.639034      2.315158      5.013363
101
Coordinates from ORCA-job orca E -6762.548462238294
  N      -2.458427      3.373478      6.060301
  Mo     -2.562405      1.537043      5.267146
  N      -3.149285      0.398106      6.773267
  C      -2.161456      0.006311      7.775523
  C      -1.223532      1.164679      8.032618
  N      -0.626521      1.661492      6.768411
  C      -0.197375      3.075727      6.898478
  C      -1.137665      3.962746      6.068508
  C       0.453844      0.791574      6.246048
  C       0.230966      0.704311      4.737175
  N      -1.144179      0.302351      4.561261
  H      -0.727378      4.052211      5.049648
  H      -1.151657      4.986002      6.481503
  H       0.838406      3.186566      6.549826
  H      -0.220290      3.366863      7.959255
  H       0.935093     -0.003982      4.266271
  H       0.411837      1.695614      4.283808
  H       0.352902     -0.211249      6.684531
  H       1.444813      1.187470      6.524002
  H      -2.628490     -0.271017      8.737546
  H      -1.606055     -0.892201      7.432150
  H      -1.813480      1.991969      8.449652
  H      -0.434163      0.898189      8.759424
  C      -3.430154      4.091051      6.870659
  C      -3.840994      5.470446      6.338393
  O      -4.959863      5.414533      5.419199
  C      -4.697630      5.431869      4.100748
  O      -3.576754      5.470297      3.612007
  C      -5.973076      5.376846      3.294886
  N      -7.007786      4.797225      3.890560
  C      -8.133478      4.632476      3.158471
  N      -8.334588      5.007241      1.907154
  C      -7.298076      5.646706      1.291817
  C      -7.471270      6.085194     -0.043671
  C      -6.448383      6.737400     -0.695067
  C      -5.222844      6.986559     -0.034045
  C      -5.019135      6.569288      1.264983
  C      -6.044397      5.874121      1.957434
  C      -1.384143     -1.115058      4.375112
  C      -1.693894     -1.522401      2.915731
  O      -2.245766     -0.487499      2.077911
  C      -3.348504      0.178421      2.534784
  O      -3.679135      0.087269      3.752549
  C      -4.016411      1.021781      1.564991
  N      -5.177859      1.555100      2.031589
  C      -5.838334      2.406776      1.245300
  N      -5.484449      2.867935      0.047245
  C      -4.309632      2.368085     -0.451601
  C      -3.873788      2.850207     -1.708548
  C      -2.704253      2.385192     -2.282725
  C      -1.937298      1.416442     -1.611938
  C      -2.335825      0.928140     -0.374263
  C      -3.520505      1.388931      0.250177
  C      -4.346372     -0.433816      6.808526
  C      -5.288436     -0.171136      7.983016
  O      -5.886439      1.147477      7.925022
  C      -7.013385      1.245182      7.181998
  O      -7.545768      0.295369      6.631085
  C      -7.536617      2.663248      7.162962
  N      -6.794609      3.569112      7.790698
  C      -7.256077      4.839383      7.827931
  N      -8.394960      5.294753      7.342829
  C      -9.167292      4.387346      6.678667
  C     -10.391253      4.831369      6.119482
  C     -11.185098      3.958485      5.407463
  C     -10.778841      2.616664      5.221763
  C      -9.597415      2.149548      5.762782
  C      -8.767865      3.014927      6.523445
  H      -3.003699      4.273638      7.879978
  H      -4.331194      3.487826      7.036461
  H      -3.000641      5.978506      5.845815
  H      -4.210459      6.086503      7.168968
  H      -8.955188      4.119150      3.666873
  H      -8.429249      5.884470     -0.524176
  H      -6.580994      7.068699     -1.726336
  H      -4.427928      7.517804     -0.559979
  H      -4.075414      6.775723      1.764319
  H      -2.213021     -1.444725      5.015972
  H      -0.490235     -1.688636      4.686138
  H      -2.383041     -2.382813      2.911462
  H      -0.775815     -1.806073      2.384491
  H      -6.790367      2.775175      1.643817
  H      -4.500234      3.597730     -2.198604
  H      -2.380547      2.764395     -3.253850
  H      -1.018930      1.039592     -2.066150
  H      -1.729614      0.175525      0.121203
  H      -4.896501     -0.321174      5.866776
  H      -4.058428     -1.503523      6.877528
  H      -6.083990     -0.929289      7.990953
  H      -4.758662     -0.185244      8.944290
  H      -6.609565      5.562972      8.334734
  H     -10.663253      5.877963      6.260532
  H     -12.122487      4.304687      4.968974
  H     -11.404574      1.941993      4.635503
  H      -9.285695      1.119072      5.614839
  N      -2.031861      2.748298      3.266119
  H      -1.658160      2.142554      2.530658
  H      -1.396159      3.545511      3.351706
  H      -2.907335      3.139525      2.911126
  N      -4.543814      2.090723      4.937184
  N      -5.644834      2.302856      4.996314
101
Coordinates from ORCA-job orca E -6762.549710920644
  N      -2.474780      3.384192      6.066569
  Mo     -2.570551      1.550396      5.274580
  N      -3.148024      0.394934      6.773042
  C      -2.157435     -0.000905      7.771125
  C      -1.224342      1.160648      8.031784
  N      -0.643856      1.669752      6.763292
  C      -0.215387      3.085508      6.902978
  C      -1.155728      3.976832      6.078597
  C       0.442986      0.808764      6.234848
  C       0.225561      0.741781      4.725406
  N      -1.147260      0.334996      4.537290
  H      -0.747701      4.074583      5.059745
  H      -1.172365      4.996725      6.499622
  H       0.821154      3.198910      6.557658
  H      -0.241354      3.368702      7.965647
  H       0.934939      0.044672      4.245751
  H       0.401154      1.740469      4.286470
  H       0.341228     -0.200092      6.658925
  H       1.430794      1.203211      6.525622
  H      -2.621300     -0.286963      8.732022
  H      -1.598892     -0.894162      7.419860
  H      -1.815329      1.980775      8.461257
  H      -0.425285      0.893614      8.747321
  C      -3.446458      4.083297      6.892923
  C      -3.869117      5.464769      6.378150
  O      -4.974487      5.405497      5.444288
  C      -4.696048      5.441362      4.129106
  O      -3.569454      5.509812      3.656718
  C      -5.961300      5.382842      3.307660
  N      -7.008749      4.818543      3.896891
  C      -8.129524      4.662912      3.155998
  N      -8.314069      5.029021      1.899327
  C      -7.263145      5.648707      1.288140
  C      -7.418528      6.076764     -0.052880
  C      -6.382470      6.711975     -0.700422
  C      -5.160515      6.952231     -0.029919
  C      -4.973751      6.544054      1.274776
  C      -6.013328      5.867524      1.964293
  C      -1.377308     -1.086089      4.360994
  C      -1.673905     -1.500983      2.901759
  O      -2.237360     -0.475370      2.059772
  C      -3.345204      0.183530      2.513944
  O      -3.680138      0.093833      3.728757
  C      -4.016687      1.020232      1.538307
  N      -5.173877      1.560454      2.006146
  C      -5.835877      2.407805      1.216067
  N      -5.486133      2.858002      0.012838
  C      -4.316614      2.348731     -0.488639
  C      -3.886768      2.816831     -1.752987
  C      -2.724289      2.339179     -2.330919
  C      -1.958457      1.371944     -1.656349
  C      -2.350378      0.898342     -0.411117
  C      -3.527709      1.372423      0.217414
  C      -4.346291     -0.434662      6.807860
  C      -5.282602     -0.171693      7.986787
  O      -5.877572      1.148011      7.926682
  C      -7.020295      1.242162      7.207493
  O      -7.564087      0.289563      6.672711
  C      -7.543119      2.659901      7.191216
  N      -6.804331      3.564079      7.825784
  C      -7.268502      4.833264      7.867154
  N      -8.406088      5.289028      7.379063
  C      -9.173678      4.383835      6.706399
  C     -10.395933      4.828182      6.143906
  C     -11.184389      3.957165      5.423478
  C     -10.774287      2.617223      5.232623
  C      -9.595022      2.149476      5.777749
  C      -8.771142      3.012837      6.546630
  H      -3.017762      4.255302      7.903197
  H      -4.343088      3.471892      7.052431
  H      -3.030190      5.994160      5.905878
  H      -4.258676      6.060885      7.214150
  H      -8.963615      4.166514      3.660926
  H      -8.374162      5.882116     -0.540504
  H      -6.501682      7.035704     -1.735714
  H      -4.354278      7.469550     -0.552527
  H      -4.032461      6.742950      1.781475
  H      -2.209149     -1.416845      4.997119
  H      -0.482717     -1.653323      4.681830
  H      -2.349763     -2.371896      2.895156
  H      -0.749125     -1.771266      2.375116
  H      -6.784937      2.781710      1.615964
  H      -4.512503      3.563212     -2.245547
  H      -2.405013      2.707004     -3.307854
  H      -1.045697      0.985351     -2.113650
  H      -1.744777      0.147890      0.088401
  H      -4.900942     -0.312551      5.869748
  H      -4.062415     -1.505822      6.867143
  H      -6.079403     -0.928301      8.000040
  H      -4.748076     -0.183442      8.945476
  H      -6.625895      5.555530      8.380832
  H     -10.670957      5.873413      6.289045
  H     -12.120540      4.303594      4.982515
  H     -11.395569      1.944490      4.639443
  H      -9.280884      1.120166      5.626697
  N      -2.057054      2.768556      3.274924
  H      -1.673237      2.160282      2.546930
  H      -1.433921      3.576585      3.352381
  H      -2.938196      3.142303      2.914894
  N      -4.552808      2.087560      4.932355
  N      -5.654787      2.294984      4.983243
101
Coordinates from ORCA-job orca E -6762.550835150004
  N      -2.492597      3.392669      6.071462
  Mo     -2.579274      1.561384      5.281544
  N      -3.141840      0.390924      6.774738
  C      -2.147504     -0.005248      7.769070
  C      -1.219604      1.160304      8.030090
  N      -0.657141      1.680334      6.756569
  C      -0.231991      3.098319      6.903330
  C      -1.176124      3.991066      6.085289
  C       0.435396      0.828687      6.220291
  C       0.219898      0.779466      4.710805
  N      -1.150374      0.365710      4.514196
  H      -0.771958      4.096972      5.065781
  H      -1.196718      5.008111      6.512807
  H       0.804447      3.216036      6.559353
  H      -0.259749      3.374963      7.967539
  H       0.934332      0.093748      4.222129
  H       0.387897      1.784613      4.283912
  H       0.334613     -0.185626      6.631268
  H       1.420523      1.222544      6.520696
  H      -2.607778     -0.297612      8.729692
  H      -1.585769     -0.894304      7.412741
  H      -1.811349      1.973345      8.471765
  H      -0.409970      0.894371      8.733708
  C      -3.464058      4.071087      6.915431
  C      -3.896768      5.456951      6.423574
  O      -4.987598      5.399662      5.474112
  C      -4.691883      5.461720      4.162943
  O      -3.558798      5.548743      3.709121
  C      -5.945604      5.398822      3.324509
  N      -7.006466      4.852832      3.908273
  C      -8.123101      4.708716      3.159860
  N      -8.292436      5.067879      1.898864
  C      -7.226840      5.665114      1.290860
  C      -7.366231      6.084023     -0.054741
  C      -6.316605      6.698507     -0.700391
  C      -5.095721      6.924305     -0.023538
  C      -4.923959      6.524068      1.285897
  C      -5.978719      5.870470      1.975076
  C      -1.369122     -1.059501      4.350482
  C      -1.653761     -1.484070      2.892347
  O      -2.231846     -0.469727      2.046309
  C      -3.344054      0.181382      2.498480
  O      -3.685829      0.090138      3.709553
  C      -4.020837      1.013170      1.519916
  N      -5.170765      1.561811      1.994493
  C      -5.836420      2.406808      1.204445
  N      -5.494940      2.846881     -0.004566
  C      -4.333399      2.327423     -0.513760
  C      -3.914552      2.782529     -1.786502
  C      -2.762100      2.291832     -2.373294
  C      -1.995630      1.324491     -1.699291
  C      -2.376156      0.864304     -0.445752
  C      -3.542826      1.352267      0.192225
  C      -4.340438     -0.437900      6.813456
  C      -5.272693     -0.170070      7.994818
  O      -5.867563      1.149209      7.927209
  C      -7.025379      1.236445      7.230621
  O      -7.579063      0.278296      6.716009
  C      -7.549368      2.653130      7.212078
  N      -6.817768      3.557224      7.856014
  C      -7.286406      4.824627      7.898329
  N      -8.419922      5.279718      7.400041
  C      -9.178570      4.375495      6.716027
  C     -10.394916      4.819563      6.140906
  C     -11.173680      3.949243      5.409062
  C     -10.759532      2.610461      5.219429
  C      -9.586171      2.142752      5.777178
  C      -8.772209      3.005479      6.557210
  H      -3.032707      4.228492      7.926895
  H      -4.356943      3.452045      7.066722
  H      -3.059057      6.008578      5.975109
  H      -4.305610      6.029641      7.266847
  H      -8.969547      4.230732      3.661773
  H      -8.321278      5.899223     -0.547337
  H      -6.423952      7.015523     -1.739055
  H      -4.277479      7.424062     -0.544647
  H      -3.982867      6.710576      1.797251
  H      -2.202769     -1.391165      4.983404
  H      -0.472992     -1.619084      4.680687
  H      -2.314513     -2.366544      2.885126
  H      -0.722837     -1.739667      2.369070
  H      -6.779491      2.788691      1.610741
  H      -4.540999      3.528817     -2.278273
  H      -2.451125      2.648988     -3.356843
  H      -1.091119      0.927460     -2.164005
  H      -1.770105      0.114330      0.053788
  H      -4.898905     -0.313845      5.877744
  H      -4.058396     -1.509557      6.870284
  H      -6.069193     -0.926632      8.016375
  H      -4.733787     -0.175041      8.951173
  H      -6.651253      5.546575      8.421717
  H     -10.673333      5.863951      6.285711
  H     -12.105380      4.295481      4.958563
  H     -11.372920      1.938534      4.617154
  H      -9.269007      1.114342      5.626860
  N      -2.085653      2.786081      3.282733
  H      -1.688414      2.175469      2.563645
  H      -1.477629      3.606195      3.352730
  H      -2.972339      3.139151      2.915658
  N      -4.562809      2.075807      4.929806
  N      -5.667295      2.277849      4.967994
101
Coordinates from ORCA-job orca E -6762.551876763065
  N      -2.511988      3.401720      6.079258
  Mo     -2.592819      1.574568      5.288056
  N      -3.136112      0.388296      6.775353
  C      -2.136555     -0.008793      7.764211
  C      -1.212237      1.159666      8.024766
  N      -0.668741      1.691588      6.746885
  C      -0.247483      3.111355      6.900646
  C      -1.198005      4.005633      6.092379
  C       0.426466      0.849319      6.198397
  C       0.207534      0.817735      4.689868
  N      -1.160945      0.397315      4.489269
  H      -0.800052      4.120285      5.071489
  H      -1.221487      5.019677      6.526565
  H       0.787751      3.234166      6.554986
  H      -0.273887      3.380901      7.966601
  H       0.925155      0.143028      4.190393
  H       0.367101      1.828742      4.273885
  H       0.327346     -0.170332      6.596273
  H       1.410502      1.241532      6.504526
  H      -2.592371     -0.306833      8.725139
  H      -1.573346     -0.894633      7.402541
  H      -1.802964      1.965658      8.480422
  H      -0.391592      0.893488      8.715166
  C      -3.480984      4.061920      6.940792
  C      -3.923726      5.449675      6.465838
  O      -5.000155      5.391793      5.501760
  C      -4.686801      5.475300      4.195203
  O      -3.548580      5.593202      3.761274
  C      -5.928039      5.408869      3.338875
  N      -7.001077      4.874315      3.912000
  C      -8.110371      4.738181      3.151982
  N      -8.262245      5.093103      1.887196
  C      -7.182765      5.673616      1.287656
  C      -7.302509      6.084343     -0.062398
  C      -6.238906      6.681748     -0.701288
  C      -5.022576      6.896405     -0.013033
  C      -4.869876      6.504065      1.301312
  C      -5.940094      5.869672      1.984912
  C      -1.369193     -1.031672      4.338776
  C      -1.644294     -1.466545      2.883000
  O      -2.237024     -0.463966      2.033095
  C      -3.352171      0.180860      2.482782
  O      -3.702674      0.086151      3.689823
  C      -4.030754      1.008725      1.498885
  N      -5.176211      1.564226      1.974402
  C      -5.842899      2.405706      1.180910
  N      -5.504984      2.836023     -0.032327
  C      -4.348451      2.307921     -0.543642
  C      -3.935176      2.750891     -1.822490
  C      -2.790187      2.247771     -2.413156
  C      -2.026026      1.279954     -1.736965
  C      -2.400264      0.832627     -0.477050
  C      -3.558779      1.334324      0.165758
  C      -4.334995     -0.439630      6.821043
  C      -5.261046     -0.165318      8.005633
  O      -5.855014      1.153482      7.931338
  C      -7.027912      1.233652      7.258585
  O      -7.591621      0.269594      6.765857
  C      -7.553996      2.648536      7.238310
  N      -6.832757      3.552632      7.894999
  C      -7.309250      4.816962      7.940873
  N      -8.439638      5.269699      7.432872
  C      -9.186159      4.366226      6.734464
  C     -10.398328      4.807664      6.148731
  C     -11.164939      3.937584      5.403639
  C     -10.742108      2.602036      5.210858
  C      -9.572834      2.136676      5.779179
  C      -8.771690      2.999004      6.572719
  H      -3.044803      4.208150      7.951884
  H      -4.370070      3.436315      7.087812
  H      -3.087440      6.019180      6.037542
  H      -4.350196      6.003523      7.313071
  H      -8.967806      4.272122      3.646223
  H      -8.254207      5.906545     -0.564021
  H      -6.331411      6.992452     -1.743297
  H      -4.192034      7.381286     -0.528804
  H      -3.932095      6.680774      1.822053
  H      -2.203544     -1.363568      4.970208
  H      -0.471148     -1.583816      4.676633
  H      -2.290433     -2.359820      2.876896
  H      -0.708502     -1.708437      2.361769
  H      -6.783395      2.792331      1.588039
  H      -4.560102      3.497410     -2.315828
  H      -2.483371      2.594952     -3.401589
  H      -1.127876      0.872728     -2.205235
  H      -1.795493      0.083087      0.024486
  H      -4.898018     -0.316663      5.887803
  H      -4.054026     -1.511403      6.878527
  H      -6.057571     -0.921399      8.037002
  H      -4.716213     -0.164093      8.958743
  H      -6.684683      5.538617      8.477374
  H     -10.683513      5.849859      6.296287
  H     -12.093404      4.281929      4.944993
  H     -11.345607      1.930569      4.598125
  H      -9.249622      1.110441      5.627041
  N      -2.120300      2.811197      3.292993
  H      -1.708456      2.200898      2.582067
  H      -1.528413      3.643382      3.359359
  H      -3.012231      3.143429      2.918898
  N      -4.577443      2.065263      4.933289
  N      -5.682799      2.262820      4.957096
101
Coordinates from ORCA-job orca E -6762.552866334834
  N      -2.531894      3.408997      6.089148
  Mo     -2.606911      1.586951      5.294452
  N      -3.126989      0.386515      6.776565
  C      -2.120955     -0.010178      7.759304
  C      -1.199302      1.160852      8.016876
  N      -0.675169      1.704011      6.735111
  C      -0.260109      3.125654      6.894439
  C      -1.220961      4.020173      6.098860
  C       0.420356      0.871369      6.171227
  C       0.193121      0.855525      4.664255
  N      -1.173883      0.427406      4.464459
  H      -0.831917      4.144475      5.075722
  H      -1.247398      5.031038      6.539859
  H       0.772518      3.255579      6.543720
  H      -0.282094      3.388382      7.962128
  H       0.912683      0.191601      4.152957
  H       0.342732      1.871629      4.257350
  H       0.324445     -0.153113      6.557322
  H       1.404691      1.262078      6.478486
  H      -2.571583     -0.311726      8.721517
  H      -1.557623     -0.894089      7.393441
  H      -1.788009      1.960287      8.486433
  H      -0.367724      0.894587      8.693883
  C      -3.498295      4.049684      6.968912
  C      -3.950052      5.441439      6.516268
  O      -5.012240      5.386916      5.537964
  C      -4.681917      5.496793      4.236769
  O      -3.538296      5.633741      3.822570
  C      -5.910356      5.427116      3.362859
  N      -6.996007      4.908485      3.927842
  C      -8.098769      4.780508      3.157887
  N      -8.234264      5.129163      1.889216
  C      -7.140811      5.689172      1.295822
  C      -7.242182      6.089091     -0.059022
  C      -6.164427      6.664898     -0.693910
  C      -4.951338      6.867141      0.003383
  C      -4.816526      6.485655      1.322975
  C      -5.902236      5.874374      2.003779
  C      -1.371036     -1.005268      4.326895
  C      -1.638771     -1.451231      2.873914
  O      -2.248375     -0.461889      2.020627
  C      -3.366031      0.175699      2.469840
  O      -3.725564      0.074626      3.671989
  C      -4.046234      1.002529      1.483020
  N      -5.183155      1.570075      1.962679
  C      -5.848872      2.411962      1.168018
  N      -5.515039      2.831823     -0.049691
  C      -4.367280      2.289814     -0.566001
  C      -3.960026      2.719584     -1.851303
  C      -2.825874      2.199430     -2.447900
  C      -2.066985      1.227545     -1.771325
  C      -2.434556      0.793935     -0.504903
  C      -3.581407      1.313949      0.144566
  C      -4.325949     -0.440941      6.833005
  C      -5.245804     -0.155420      8.019611
  O      -5.839999      1.162097      7.934114
  C      -7.027103      1.232500      7.284359
  O      -7.599762      0.260916      6.816915
  C      -7.557167      2.644557      7.258167
  N      -6.851508      3.550929      7.929652
  C      -7.338329      4.811261      7.974253
  N      -8.462938      5.259153      7.448959
  C      -9.191938      4.353976      6.734177
  C     -10.396040      4.790250      6.128486
  C     -11.144661      3.917848      5.367769
  C     -10.711000      2.585319      5.178782
  C      -9.549242      2.124971      5.766302
  C      -8.767049      2.989717      6.575742
  H      -3.057014      4.181216      7.979700
  H      -4.383984      3.417666      7.109453
  H      -3.115320      6.028657      6.109649
  H      -4.392505      5.973970      7.369035
  H      -8.967395      4.329834      3.646678
  H      -8.191584      5.919619     -0.567816
  H      -6.243073      6.967009     -1.739574
  H      -4.108444      7.333734     -0.509267
  H      -3.881249      6.651878      1.851391
  H      -2.204664     -1.337847      4.958437
  H      -0.470136     -1.549326      4.670652
  H      -2.269388     -2.355558      2.870726
  H      -0.699075     -1.678995      2.353239
  H      -6.782574      2.810110      1.579659
  H      -4.580965      3.469128     -2.344949
  H      -2.523604      2.535900     -3.441412
  H      -1.178014      0.806398     -2.244766
  H      -1.833459      0.041554     -0.003101
  H      -4.893110     -0.324683      5.901350
  H      -4.044818     -1.512157      6.897319
  H      -6.041789     -0.911349      8.063680
  H      -4.694847     -0.144813      8.969275
  H      -6.728357      5.534619      8.525136
  H     -10.689766      5.830383      6.273828
  H     -12.066971      4.258278      4.893998
  H     -11.299840      1.912154      4.553754
  H      -9.217866      1.100904      5.616966
  N      -2.157958      2.835458      3.302638
  H      -1.729523      2.226564      2.600280
  H      -1.584273      3.680351      3.367327
  H      -3.054775      3.144886      2.920672
  N      -4.592111      2.050434      4.938636
  N      -5.699198      2.244273      4.943352
101
Coordinates from ORCA-job orca E -6762.553822160219
  N      -2.557106      3.414975      6.100221
  Mo     -2.624430      1.598031      5.300994
  N      -3.116001      0.385482      6.779516
  C      -2.100736     -0.007344      7.754843
  C      -1.182668      1.167783      8.005769
  N      -0.679157      1.721105      6.720070
  C      -0.274194      3.145257      6.881807
  C      -1.250749      4.036649      6.101875
  C       0.415098      0.899275      6.138502
  C       0.173929      0.894255      4.633954
  N      -1.191525      0.455546      4.441282
  H      -0.874103      4.170762      5.075363
  H      -1.281104      5.044523      6.549053
  H       0.753789      3.285180      6.521330
  H      -0.287610      3.402631      7.950922
  H       0.894603      0.240686      4.110692
  H       0.310938      1.914326      4.232786
  H       0.325913     -0.129030      6.516146
  H       1.400718      1.290864      6.440901
  H      -2.544022     -0.310610      8.719909
  H      -1.537218     -0.889610      7.385577
  H      -1.769514      1.960866      8.488257
  H      -0.339937      0.903398      8.669618
  C      -3.520448      4.036323      6.997609
  C      -3.982586      5.430458      6.564303
  O      -5.028514      5.377727      5.569739
  C      -4.676577      5.512144      4.275787
  O      -3.527220      5.673249      3.886336
  C      -5.888154      5.444315      3.378774
  N      -6.987844      4.936517      3.926878
  C      -8.079226      4.816881      3.140180
  N      -8.191981      5.164556      1.868737
  C      -7.083113      5.709821      1.290705
  C      -7.158967      6.103654     -0.067701
  C      -6.064444      6.661029     -0.690037
  C      -4.859068      6.849948      0.023903
  C      -4.749282      6.475467      1.347947
  C      -5.853356      5.883822      2.017102
  C      -1.375229     -0.980995      4.318442
  C      -1.637080     -1.441353      2.869543
  O      -2.265136     -0.468195      2.011262
  C      -3.386648      0.160585      2.459932
  O      -3.754030      0.052346      3.656917
  C      -4.069508      0.986746      1.470804
  N      -5.202374      1.556966      1.954087
  C      -5.872202      2.396390      1.159725
  N      -5.543771      2.811775     -0.060482
  C      -4.399820      2.266230     -0.581106
  C      -3.999776      2.690799     -1.870339
  C      -2.872260      2.163715     -2.473186
  C      -2.113345      1.189890     -1.799050
  C      -2.472901      0.762465     -0.528375
  C      -3.612044      1.290836      0.128415
  C      -4.313178     -0.444122      6.850386
  C      -5.226730     -0.145426      8.038175
  O      -5.823052      1.169730      7.939314
  C      -7.023730      1.228630      7.312685
  O      -7.604446      0.249088      6.872139
  C      -7.558054      2.638001      7.279372
  N      -6.870403      3.545398      7.968877
  C      -7.368544      4.801226      8.014202
  N      -8.487620      5.244228      7.472705
  C      -9.196962      4.338540      6.738683
  C     -10.394335      4.769282      6.116010
  C     -11.123251      3.896117      5.337021
  C     -10.674984      2.568889      5.145186
  C      -9.519406      2.113951      5.749001
  C      -8.758883      2.978808      6.578581
  H      -3.073755      4.155668      8.007460
  H      -4.401541      3.396749      7.132944
  H      -3.149467      6.034128      6.179222
  H      -4.442471      5.942808      7.420156
  H      -8.959331      4.374664      3.615917
  H      -8.102593      5.942750     -0.589885
  H      -6.123529      6.957561     -1.738602
  H      -4.001768      7.300674     -0.479066
  H      -3.820066      6.630941      1.890089
  H      -2.206315     -1.314679      4.952265
  H      -0.469816     -1.514637      4.667133
  H      -2.251226     -2.356953      2.872790
  H      -0.694116     -1.655517      2.348881
  H      -6.803685      2.796047      1.574487
  H      -4.621079      3.441402     -2.362062
  H      -2.575459      2.495641     -3.469893
  H      -1.230277      0.762496     -2.277969
  H      -1.871015      0.009284     -0.028945
  H      -4.884654     -0.339838      5.919924
  H      -4.028918     -1.513628      6.926205
  H      -6.021063     -0.902052      8.096936
  H      -4.669316     -0.122852      8.984006
  H      -6.774967      5.525195      8.582042
  H     -10.698965      5.806004      6.263507
  H     -12.040365      4.232447      4.850320
  H     -11.247442      1.895476      4.505336
  H      -9.177837      1.093451      5.598353
  N      -2.204192      2.857419      3.309994
  H      -1.758205      2.251864      2.615634
  H      -1.651313      3.716025      3.374025
  H      -3.106419      3.141666      2.920940
  N      -4.610124      2.029987      4.946530
  N      -5.718177      2.220499      4.930251
101
Coordinates from ORCA-job orca E -6762.554759862212
  N      -2.580800      3.421644      6.115192
  Mo     -2.643534      1.611223      5.307340
  N      -3.104759      0.387575      6.781953
  C      -2.078308     -0.001861      7.747631
  C      -1.161996      1.176279      7.989889
  N      -0.679236      1.738921      6.700780
  C      -0.283998      3.164758      6.864175
  C      -1.279187      4.053786      6.104820
  C       0.409907      0.926840      6.098324
  C       0.149245      0.930503      4.597054
  N      -1.215682      0.482625      4.417067
  H      -0.918654      4.198679      5.074072
  H      -1.311251      5.057993      6.559595
  H       0.737326      3.315361      6.489213
  H      -0.283547      3.416370      7.934751
  H       0.868287      0.285660      4.060636
  H       0.273879      1.953784      4.200281
  H       0.328450     -0.104544      6.469555
  H       1.398662      1.318844      6.390293
  H      -2.512384     -0.305626      8.716736
  H      -1.516572     -0.883223      7.373892
  H      -1.745162      1.964130      8.485244
  H      -0.308600      0.912681      8.640427
  C      -3.539806      4.023765      7.030619
  C      -4.013330      5.420664      6.620746
  O      -5.044074      5.371610      5.611134
  C      -4.672951      5.530921      4.325026
  O      -3.518708      5.709927      3.957673
  C      -5.868437      5.463588      3.407251
  N      -6.982325      4.971381      3.941355
  C      -8.062510      4.857352      3.139032
  N      -8.152049      5.196856      1.863244
  C      -7.027529      5.723026      1.297973
  C      -7.077228      6.104412     -0.065335
  C      -5.965929      6.640457     -0.676544
  C      -4.769335      6.820770      0.054195
  C      -4.685317      6.459555      1.383870
  C      -5.807270      5.889478      2.042126
  C      -1.387354     -0.957163      4.306919
  C      -1.646757     -1.432068      2.862625
  O      -2.292012     -0.475135      1.999312
  C      -3.416840      0.145780      2.449353
  O      -3.790078      0.029393      3.640828
  C      -4.098984      0.975031      1.458128
  N      -5.223787      1.555934      1.944486
  C      -5.890873      2.398810      1.150590
  N      -5.564054      2.807205     -0.072110
  C      -4.427677      2.249657     -0.596398
  C      -4.030027      2.666039     -1.889147
  C      -2.911548      2.124829     -2.496095
  C      -2.159642      1.144816     -1.822747
  C      -2.516126      0.726013     -0.548578
  C      -3.645514      1.269524      0.112949
  C      -4.300110     -0.443788      6.869913
  C      -5.205487     -0.129239      8.059264
  O      -5.803793      1.183486      7.945035
  C      -7.016416      1.229682      7.339895
  O      -7.602989      0.242140      6.925616
  C      -7.557505      2.635176      7.297925
  N      -6.893408      3.545762      8.006738
  C      -7.406458      4.795730      8.048971
  N      -8.518669      5.230111      7.486336
  C      -9.202521      4.321264      6.731847
  C     -10.390803      4.742439      6.085757
  C     -11.093286      3.865666      5.286598
  C     -10.626154      2.544638      5.096771
  C      -9.478899      2.099189      5.723041
  C      -8.746876      2.967360      6.574117
  H      -3.086827      4.129328      8.039169
  H      -4.415997      3.376366      7.159846
  H      -3.182917      6.041577      6.258154
  H      -4.490056      5.910051      7.480601
  H      -8.954659      4.428617      3.604993
  H      -8.014556      5.949825     -0.600583
  H      -6.004892      6.926555     -1.728947
  H      -3.898239      7.254490     -0.439999
  H      -3.763635      6.609428      1.940301
  H      -2.214824     -1.291493      4.944596
  H      -0.477211     -1.481246      4.658239
  H      -2.246358     -2.357141      2.874992
  H      -0.702081     -1.635432      2.340699
  H      -6.816442      2.808609      1.568905
  H      -4.645889      3.421313     -2.380372
  H      -2.616535      2.450199     -3.495478
  H      -1.284297      0.705734     -2.305248
  H      -1.919008     -0.031712     -0.050209
  H      -4.876810     -0.353272      5.941188
  H      -4.012483     -1.511147      6.959351
  H      -5.998510     -0.885742      8.134917
  H      -4.640622     -0.093317      9.000403
  H      -6.833322      5.522598      8.633925
  H     -10.709846      5.775000      6.232065
  H     -12.003536      4.194658      4.782280
  H     -11.176935      1.868713      4.440743
  H      -9.123542      1.082982      5.574453
  N      -2.254328      2.881482      3.316218
  H      -1.790954      2.281970      2.628294
  H      -1.723642      3.753821      3.381691
  H      -3.161903      3.140123      2.921251
  N      -4.628249      2.012677      4.955640
  N      -5.736564      2.202082      4.916193
101
Coordinates from ORCA-job orca E -6762.555671893452
  N      -2.609405      3.426563      6.130030
  Mo     -2.665039      1.621661      5.313885
  N      -3.092619      0.388981      6.786826
  C      -2.052486      0.007029      7.741532
  C      -1.139890      1.190340      7.971815
  N      -0.679043      1.760507      6.678745
  C      -0.296460      3.188649      6.840946
  C      -1.314309      4.072012      6.104259
  C       0.404526      0.958818      6.055412
  C       0.120709      0.965424      4.558084
  N      -1.243203      0.505881      4.395715
  H      -0.972305      4.227220      5.068834
  H      -1.349040      5.072756      6.566021
  H       0.716017      3.352188      6.447609
  H      -0.278407      3.436156      7.912367
  H       0.837618      0.328631      4.009184
  H       0.230784      1.990985      4.163033
  H       0.334627     -0.074443      6.424129
  H       1.396396      1.354522      6.332030
  H      -2.474823     -0.296075      8.716081
  H      -1.491354     -0.872779      7.363641
  H      -1.720174      1.973286      8.478225
  H      -0.275823      0.930073      8.609717
  C      -3.564878      4.008949      7.061455
  C      -4.050946      5.407406      6.673926
  O      -5.063973      5.362728      5.646462
  C      -4.669816      5.548463      4.370566
  O      -3.510596      5.748792      4.029971
  C      -5.845122      5.483363      3.427286
  N      -6.974319      5.004168      3.941125
  C      -8.039747      4.897072      3.118738
  N      -8.101722      5.233101      1.840272
  C      -6.960875      5.744245      1.294433
  C      -6.980337      6.118871     -0.071621
  C      -5.850787      6.635718     -0.665525
  C      -4.665306      6.803337      0.085997
  C      -4.610976      6.450074      1.419501
  C      -5.752861      5.900159      2.060762
  C      -1.400320     -0.937182      4.298568
  C      -1.657178     -1.428994      2.859334
  O      -2.319489     -0.490288      1.989416
  C      -3.449859      0.120280      2.441313
  O      -3.826469     -0.004599      3.627207
  C      -4.133201      0.952991      1.449787
  N      -5.254117      1.535364      1.940006
  C      -5.923733      2.379523      1.148917
  N      -5.600065      2.787135     -0.074495
  C      -4.466680      2.227824     -0.602766
  C      -4.072694      2.644253     -1.896659
  C      -2.958811      2.099266     -2.508417
  C      -2.208205      1.115241     -1.839010
  C      -2.560356      0.697139     -0.563615
  C      -3.684298      1.245433      0.103475
  C      -4.284071     -0.446343      6.894542
  C      -5.181034     -0.114429      8.085089
  O      -5.782940      1.195204      7.953415
  C      -7.006107      1.228173      7.368517
  O      -7.597580      0.233125      6.980234
  C      -7.553514      2.630688      7.316137
  N      -6.913309      3.543717      8.043833
  C      -7.440846      4.787907      8.082762
  N      -8.546619      5.213512      7.500873
  C      -9.204806      4.302082      6.726515
  C     -10.385277      4.713221      6.060039
  C     -11.060967      3.833578      5.241035
  C     -10.573048      2.520175      5.049943
  C      -9.432994      2.084660      5.695924
  C      -8.730590      2.954862      6.569217
  H      -3.107260      4.102519      8.069120
  H      -4.435072      3.352288      7.183549
  H      -3.223721      6.046752      6.336998
  H      -4.547614      5.871700      7.536110
  H      -8.944110      4.477928      3.569787
  H      -7.909397      5.972778     -0.623382
  H      -5.866298      6.915391     -1.720270
  H      -3.779150      7.221271     -0.394913
  H      -3.698273      6.591379      1.992598
  H      -2.223304     -1.272949      4.940819
  H      -0.484449     -1.449714      4.652423
  H      -2.241923     -2.363243      2.883523
  H      -0.710911     -1.622568      2.336528
  H      -6.846588      2.791553      1.571036
  H      -4.687690      3.402307     -2.384724
  H      -2.666503      2.424451     -3.508651
  H      -1.336995      0.672583     -2.325708
  H      -1.963643     -0.063130     -0.068664
  H      -4.866848     -0.372625      5.968045
  H      -3.991006     -1.510580      6.999684
  H      -5.971995     -0.870981      8.179589
  H      -4.608455     -0.062233      9.020904
  H      -6.888042      5.517217      8.684082
  H     -10.719906      5.740759      6.207065
  H     -11.965340      4.154904      4.721389
  H     -11.101653      1.842657      4.377525
  H      -9.062862      1.073625      5.547308
  N      -2.312134      2.898916      3.318383
  H      -1.830802      2.308315      2.635182
  H      -1.807066      3.786202      3.384680
  H      -3.225803      3.128995      2.919347
  N      -4.648374      1.989373      4.963694
  N      -5.756708      2.177952      4.901831
101
Coordinates from ORCA-job orca E -6762.556566991568
  N      -2.635414      3.434110      6.148009
  Mo     -2.688426      1.635133      5.321278
  N      -3.082398      0.392411      6.792092
  C      -2.027012      0.017011      7.733103
  C      -1.117019      1.204758      7.950883
  N      -0.678976      1.782023      6.653650
  C      -0.305947      3.211600      6.814742
  C      -1.346634      4.091086      6.104528
  C       0.396412      0.988855      6.008141
  C       0.086449      0.997377      4.515673
  N      -1.277275      0.528746      4.374330
  H      -1.025554      4.256579      5.064191
  H      -1.381285      5.087900      6.574358
  H       0.695992      3.386768      6.399795
  H      -0.265735      3.454421      7.886693
  H       0.798617      0.366941      3.953403
  H       0.182998      2.024918      4.122368
  H       0.338147     -0.045723      6.375493
  H       1.392121      1.387643      6.266480
  H      -2.435417     -0.286080      8.713668
  H      -1.467343     -0.860771      7.348817
  H      -1.692754      1.983447      8.468916
  H      -0.242280      0.946625      8.575192
  C      -3.585729      3.998378      7.094778
  C      -4.084435      5.397452      6.729268
  O      -5.080188      5.357938      5.684849
  C      -4.665512      5.567139      4.419394
  O      -3.502867      5.788613      4.103245
  C      -5.821971      5.501056      3.453643
  N      -6.965757      5.037956      3.950345
  C      -8.017037      4.934433      3.109848
  N      -8.052554      5.260739      1.827797
  C      -6.896203      5.753963      1.298238
  C      -6.886892      6.116472     -0.071201
  C      -5.740270      6.612662     -0.649986
  C      -4.565827      6.771183      0.120664
  C      -4.539659      6.430380      1.458363
  C      -5.700184      5.902828      2.084729
  C      -1.421838     -0.916905      4.288948
  C      -1.677445     -1.425406      2.854942
  O      -2.352432     -0.503288      1.977638
  C      -3.488069      0.099168      2.430969
  O      -3.866880     -0.033548      3.611321
  C      -4.168350      0.937785      1.437901
  N      -5.284539      1.525453      1.929253
  C      -5.951647      2.373539      1.139368
  N      -5.627192      2.778389     -0.084556
  C      -4.497695      2.213329     -0.614132
  C      -4.103412      2.627057     -1.908975
  C      -2.994036      2.074982     -2.522181
  C      -2.248624      1.086067     -1.853774
  C      -2.600759      0.670623     -0.577774
  C      -3.719721      1.226875      0.091552
  C      -4.269661     -0.446341      6.920339
  C      -5.156866     -0.097976      8.113153
  O      -5.762788      1.208532      7.965075
  C      -6.994352      1.228502      7.397483
  O      -7.587852      0.226844      7.030397
  C      -7.550300      2.627206      7.335947
  N      -6.937026      3.542341      8.083878
  C      -7.481170      4.779814      8.119407
  N      -8.579789      5.195274      7.517044
  C      -9.208889      4.281508      6.721203
  C     -10.380039      4.681511      6.031966
  C     -11.024483      3.799233      5.190857
  C     -10.513170      2.494713      4.998923
  C      -9.381948      2.070093      5.667085
  C      -8.713493      2.942237      6.564323
  H      -3.122872      4.081375      8.101051
  H      -4.449975      3.333099      7.210877
  H      -3.261422      6.055398      6.418782
  H      -4.601331      5.835435      7.593057
  H      -8.933150      4.528375      3.549249
  H      -7.807822      5.976485     -0.637912
  H      -5.733411      6.882208     -1.707467
  H      -3.665818      7.172306     -0.348757
  H      -3.635836      6.566206      2.046545
  H      -2.240815     -1.252881      4.935735
  H      -0.501132     -1.419442      4.644897
  H      -2.250788     -2.366187      2.892523
  H      -0.730384     -1.613439      2.331530
  H      -6.871241      2.791254      1.562998
  H      -4.714725      3.388398     -2.396466
  H      -2.701359      2.398025     -3.522992
  H      -1.381460      0.637313     -2.342092
  H      -2.008088     -0.093396     -0.083930
  H      -4.860133     -0.387955      5.997432
  H      -3.971436     -1.507473      7.039089
  H      -5.945953     -0.853836      8.226846
  H      -4.575924     -0.029465      9.042780
  H      -6.951029      5.511690      8.737835
  H     -10.732461      5.703026      6.179533
  H     -11.921819      4.112011      4.654037
  H     -11.016180      1.816100      4.308246
  H      -8.994464      1.065545      5.517924
  N      -2.373799      2.919372      3.320452
  H      -1.875356      2.341745      2.638639
  H      -1.896398      3.821837      3.388240
  H      -3.293995      3.120054      2.919812
  N      -4.669178      1.972474      4.971645
  N      -5.776998      2.161903      4.890002
101
Coordinates from ORCA-job orca E -6762.557450691731
  N      -2.663122      3.442382      6.166051
  Mo     -2.714402      1.648450      5.329241
  N      -3.073501      0.395272      6.799191
  C      -2.001519      0.027861      7.724555
  C      -1.094971      1.221016      7.928450
  N      -0.681909      1.804683      6.626056
  C      -0.317245      3.235920      6.785097
  C      -1.381487      4.111175      6.103554
  C       0.385165      1.019477      5.958673
  C       0.047654      1.028127      4.471888
  N      -1.315595      0.550273      4.353749
  H      -1.083445      4.286979      5.058246
  H      -1.415709      5.103892      6.581721
  H       0.672567      3.422136      6.346383
  H      -0.251772      3.474315      7.856890
  H       0.754089      0.403769      3.895853
  H       0.129750      2.057486      4.080234
  H       0.339815     -0.015876      6.325812
  H       1.384048      1.422725      6.197436
  H      -2.393897     -0.275666      8.711626
  H      -1.442591     -0.847087      7.333076
  H      -1.665719      1.995436      8.458259
  H      -0.208805      0.966005      8.537910
  C      -3.606932      3.988707      7.128128
  C      -4.118149      5.387494      6.782691
  O      -5.095261      5.353274      5.720791
  C      -4.658700      5.584342      4.466911
  O      -3.493138      5.828419      4.177788
  C      -5.794180      5.514638      3.477189
  N      -6.952337      5.066135      3.954500
  C      -7.987563      4.965013      3.094448
  N      -7.995411      5.282429      1.809788
  C      -6.824092      5.759692      1.298799
  C      -6.785379      6.111552     -0.072784
  C      -5.622338      6.589275     -0.634299
  C      -4.459989      6.737964      0.156237
  C      -4.462437      6.407640      1.497015
  C      -5.641311      5.901519      2.106607
  C      -1.447042     -0.897707      4.279146
  C      -1.700258     -1.422421      2.849849
  O      -2.385951     -0.516076      1.965160
  C      -3.527768      0.077125      2.419853
  O      -3.908537     -0.064218      3.594760
  C      -4.205697      0.921278      1.425925
  N      -5.321546      1.507416      1.916803
  C      -5.989592      2.355814      1.127184
  N      -5.663949      2.761000     -0.096106
  C      -4.533497      2.198081     -0.624668
  C      -4.138009      2.613483     -1.918761
  C      -3.028126      2.062086     -2.531189
  C      -2.283584      1.071875     -1.863222
  C      -2.636555      0.654960     -0.588244
  C      -3.755765      1.211326      0.081101
  C      -4.255725     -0.446742      6.949166
  C      -5.132296     -0.082206      8.144980
  O      -5.743177      1.220947      7.981008
  C      -6.981734      1.228869      7.429002
  O      -7.576534      0.221467      7.080880
  C      -7.546035      2.624396      7.357660
  N      -6.958762      3.541846      8.123245
  C      -7.518892      4.772830      8.153699
  N      -8.610287      5.177759      7.531587
  C      -9.211005      4.261395      6.716773
  C     -10.372732      4.649772      6.005352
  C     -10.986033      3.764277      5.144516
  C     -10.451737      2.468659      4.953585
  C      -9.329608      2.055319      5.643536
  C      -8.695067      2.930024      6.562185
  H      -3.138283      4.063445      8.132440
  H      -4.465027      3.315068      7.240282
  H      -3.300106      6.063727      6.499447
  H      -4.656060      5.799116      7.646550
  H      -8.914888      4.570077      3.520037
  H      -7.697285      5.977291     -0.655167
  H      -5.592688      6.850226     -1.693547
  H      -3.546450      7.123310     -0.300134
  H      -3.567871      6.537503      2.100385
  H      -2.262609     -1.234363      4.929394
  H      -0.521862     -1.390222      4.637718
  H      -2.263231     -2.368758      2.900664
  H      -0.752303     -1.606132      2.326510
  H      -6.909308      2.773313      1.550434
  H      -4.749113      3.375114     -2.406006
  H      -2.734303      2.386244     -3.531289
  H      -1.416311      0.623344     -2.351523
  H      -2.044824     -0.109828     -0.094541
  H      -4.855435     -0.403086      6.031125
  H      -3.952466     -1.504801      7.080163
  H      -5.919171     -0.837043      8.278731
  H      -4.542336      0.003656      9.067465
  H      -7.010587      5.507668      8.786819
  H     -10.742710      5.665229      6.151817
  H     -11.876226      4.068087      4.590880
  H     -10.929340      1.788803      4.246325
  H      -8.924487      1.057588      5.494745
  N      -2.441540      2.937946      3.321259
  H      -1.926802      2.377156      2.637483
  H      -1.994928      3.856235      3.389106
  H      -3.369096      3.106628      2.922124
  N      -4.692303      1.955190      4.978073
  N      -5.799763      2.144935      4.881197
101
Coordinates from ORCA-job orca E -6762.558301547559
  N      -2.687708      3.453787      6.184700
  Mo     -2.741439      1.664212      5.338761
  N      -3.066381      0.399703      6.808177
  C      -1.977324      0.039411      7.715753
  C      -1.073134      1.237389      7.905056
  N      -0.686983      1.826634      6.596570
  C      -0.326519      3.259175      6.753157
  C      -1.412611      4.132231      6.102496
  C       0.370755      1.047429      5.907446
  C       0.004777      1.056372      4.427335
  N      -1.358431      0.571441      4.333765
  H      -1.139392      4.318254      5.052387
  H      -1.444191      5.120603      6.589444
  H       0.650135      3.453599      6.289200
  H      -0.232803      3.492765      7.824024
  H       0.703477      0.437148      3.836665
  H       0.073035      2.087440      4.037784
  H       0.337370      0.011624      6.274530
  H       1.372501      1.454644      6.126671
  H      -2.352243     -0.265168      8.709391
  H      -1.419796     -0.832654      7.316014
  H      -1.637005      2.008100      8.447477
  H      -0.174797      0.984956      8.497573
  C      -3.622798      3.984627      7.162245
  C      -4.145827      5.382806      6.834261
  O      -5.104935      5.353271      5.756512
  C      -4.648384      5.602718      4.513591
  O      -3.481292      5.869852      4.250330
  C      -5.763129      5.525064      3.501882
  N      -6.934798      5.091713      3.961054
  C      -7.953401      4.989495      3.082066
  N      -7.933916      5.293691      1.794394
  C      -6.748363      5.753914      1.300740
  C      -6.680286      6.089752     -0.073539
  C      -5.501786      6.548775     -0.618641
  C      -4.352387      6.691647      0.191378
  C      -4.383238      6.375987      1.535559
  C      -5.579507      5.892472      2.129288
  C      -1.478810     -0.878263      4.269128
  C      -1.728892     -1.417365      2.843798
  O      -2.421821     -0.524208      1.952056
  C      -3.569433      0.060692      2.406800
  O      -3.954012     -0.090427      3.575941
  C      -4.243821      0.910957      1.411978
  N      -5.362206      1.492209      1.900255
  C      -6.032500      2.338131      1.108992
  N      -5.704927      2.744098     -0.113313
  C      -4.570106      2.187805     -0.638136
  C      -4.172612      2.605574     -1.931059
  C      -3.058476      2.059464     -2.539875
  C      -2.311718      1.071876     -1.870026
  C      -2.666556      0.652462     -0.596767
  C      -3.790131      1.204188      0.069872
  C      -4.243386     -0.444776      6.979882
  C      -5.109535     -0.066711      8.179080
  O      -5.726936      1.232305      8.001195
  C      -6.970285      1.228210      7.461020
  O      -7.563790      0.215552      7.126826
  C      -7.544389      2.619671      7.381417
  N      -6.984184      3.538588      8.165058
  C      -7.560618      4.762765      8.190528
  N      -8.643512      5.157551      7.547847
  C      -9.214800      4.239588      6.713769
  C     -10.365464      4.617219      5.979026
  C     -10.946535      3.729249      5.098587
  C     -10.390165      2.442421      4.910288
  C      -9.278797      2.039386      5.623095
  C      -8.678564      2.916268      6.562165
  H      -3.146369      4.053678      8.163368
  H      -4.475348      3.304220      7.274424
  H      -3.333257      6.075447      6.576242
  H      -4.702927      5.770314      7.697220
  H      -8.891495      4.606429      3.494365
  H      -7.582566      5.957889     -0.671152
  H      -5.449628      6.797727     -1.679896
  H      -3.425984      7.060639     -0.252441
  H      -3.498311      6.502638      2.153635
  H      -2.292472     -1.214718      4.921306
  H      -0.550551     -1.362582      4.631067
  H      -2.284145     -2.367480      2.906431
  H      -0.780089     -1.599131      2.321310
  H      -6.954884      2.751968      1.529524
  H      -4.786114      3.364003     -2.420115
  H      -2.762828      2.385177     -3.538911
  H      -1.441273      0.627314     -2.356271
  H      -2.073927     -0.110333     -0.101295
  H      -4.853269     -0.414140      6.067715
  H      -3.935485     -1.500064      7.120793
  H      -5.893460     -0.820944      8.331742
  H      -4.510777      0.036087      9.094108
  H      -7.075090      5.499905      8.838665
  H     -10.752677      5.626519      6.123421
  H     -11.828325      4.024690      4.527235
  H     -10.841935      1.761969      4.186850
  H      -8.856247      1.048727      5.475559
  N      -2.511045      2.958242      3.323259
  H      -1.981726      2.417603      2.634271
  H      -2.097192      3.892181      3.389986
  H      -3.446283      3.093337      2.928571
  N      -4.716067      1.942806      4.984285
  N      -5.823555      2.132665      4.877304
101
Coordinates from ORCA-job orca E -6762.559116621280
  N      -2.711001      3.463309      6.202759
  Mo     -2.766987      1.677633      5.349511
  N      -3.061136      0.401359      6.817591
  C      -1.956488      0.046774      7.707439
  C      -1.054505      1.249284      7.883600
  N      -0.695315      1.844490      6.569324
  C      -0.337118      3.278488      6.724860
  C      -1.442025      4.150825      6.104685
  C       0.354906      1.071361      5.860292
  C      -0.037056      1.081178      4.387064
  N      -1.399831      0.589511      4.316086
  H      -1.192027      4.348346      5.051077
  H      -1.471414      5.134210      6.601466
  H       0.626716      3.479470      6.237550
  H      -0.216260      3.506218      7.794360
  H       0.653966      0.467346      3.782055
  H       0.017412      2.113902      4.000066
  H       0.332931      0.035061      6.226606
  H       1.358067      1.483301      6.063141
  H      -2.314824     -0.259848      8.706678
  H      -1.400361     -0.822487      7.299561
  H      -1.611261      2.016037      8.438840
  H      -0.144045      0.999449      8.458338
  C      -3.639448      3.979999      7.193217
  C      -4.178462      5.375351      6.877279
  O      -5.121663      5.346062      5.786361
  C      -4.649094      5.613576      4.552928
  O      -3.482220      5.904537      4.313450
  C      -5.743838      5.526939      3.521444
  N      -6.928352      5.108502      3.962522
  C      -7.930359      5.006788      3.065214
  N      -7.884335      5.299076      1.775394
  C      -6.685091      5.741926      1.299303
  C      -6.588234      6.062724     -0.076709
  C      -5.395037      6.503535     -0.605077
  C      -4.258675      6.639471      0.223850
  C      -4.317387      6.337211      1.570403
  C      -5.530263      5.876069      2.148003
  C      -1.510476     -0.861381      4.259332
  C      -1.753927     -1.410989      2.836091
  O      -2.450836     -0.527716      1.938138
  C      -3.604408      0.048346      2.390022
  O      -3.998167     -0.115757      3.551861
  C      -4.274016      0.905245      1.394369
  N      -5.397021      1.479330      1.878407
  C      -6.070213      2.320729      1.083946
  N      -5.740567      2.727076     -0.137392
  C      -4.598640      2.180918     -0.656149
  C      -4.198375      2.601537     -1.947505
  C      -3.076487      2.064980     -2.549902
  C      -2.324481      1.084124     -1.875599
  C      -2.682131      0.661561     -0.604596
  C      -3.814071      1.203971      0.056328
  C      -4.233746     -0.443549      7.009661
  C      -5.088197     -0.052974      8.213246
  O      -5.710567      1.242550      8.023854
  C      -6.957924      1.229623      7.494648
  O      -7.551806      0.213030      7.173646
  C      -7.538171      2.618426      7.406792
  N      -6.999163      3.538526      8.203696
  C      -7.586371      4.758260      8.222221
  N      -8.660204      5.146056      7.560897
  C      -9.208884      4.226660      6.713274
  C     -10.348757      4.596879      5.958318
  C     -10.905350      3.706262      5.064816
  C     -10.334748      2.424682      4.883033
  C      -9.233837      2.028740      5.615532
  C      -8.659208      2.908469      6.567710
  H      -3.154926      4.048442      8.190517
  H      -4.485191      3.291711      7.308940
  H      -3.373575      6.084161      6.640426
  H      -4.752904      5.741297      7.738458
  H      -8.879346      4.636016      3.462969
  H      -7.480845      5.933750     -0.689150
  H      -5.321119      6.741589     -1.667513
  H      -3.319764      6.992180     -0.206748
  H      -3.442037      6.459327      2.202743
  H      -2.324698     -1.198006      4.910114
  H      -0.580882     -1.339310      4.626457
  H      -2.303233     -2.364005      2.905777
  H      -0.803328     -1.590945      2.316273
  H      -6.995968      2.730226      1.500907
  H      -4.816473      3.353500     -2.440513
  H      -2.778327      2.392500     -3.547570
  H      -1.447844      0.647212     -2.357590
  H      -2.086506     -0.096297     -0.105314
  H      -4.854230     -0.423131      6.104126
  H      -3.923225     -1.496935      7.158358
  H      -5.869470     -0.805993      8.383991
  H      -4.479955      0.064563      9.120223
  H      -7.118797      5.497088      8.881493
  H     -10.747465      5.602351      6.097856
  H     -11.778970      3.995765      4.478080
  H     -10.767291      1.743126      4.148995
  H      -8.799690      1.042523      5.472350
  N      -2.574066      2.977612      3.329122
  H      -2.029041      2.460101      2.634448
  H      -2.195058      3.926670      3.395832
  H      -3.515292      3.077970      2.937902
  N      -4.738260      1.928772      4.988890
  N      -5.846397      2.117717      4.877417
101
Coordinates from ORCA-job orca E -6762.559927255452
  N      -2.725630      3.475912      6.219630
  Mo     -2.788547      1.692913      5.363399
  N      -3.056935      0.407253      6.830067
  C      -1.938073      0.055892      7.702218
  C      -1.035459      1.260725      7.864614
  N      -0.702238      1.859512      6.544172
  C      -0.341460      3.294358      6.697788
  C      -1.460751      4.168938      6.107157
  C       0.339147      1.089031      5.816849
  C      -0.077944      1.099089      4.350871
  N      -1.441294      0.604360      4.302169
  H      -1.232444      4.377414      5.050791
  H      -1.486008      5.147453      6.613527
  H       0.610199      3.497729      6.188180
  H      -0.193988      3.516486      7.765160
  H       0.603513      0.488126      3.732349
  H      -0.034530      2.132534      3.964795
  H       0.325748      0.052771      6.183474
  H       1.343908      1.503887      6.004397
  H      -2.280703     -0.251943      8.706689
  H      -1.385629     -0.812275      7.286850
  H      -1.583015      2.025309      8.431919
  H      -0.113438      1.012099      8.420975
  C      -3.646644      3.984021      7.220698
  C      -4.198436      5.376778      6.911711
  O      -5.127622      5.345224      5.810016
  C      -4.642048      5.625604      4.583673
  O      -3.475916      5.935568      4.363593
  C      -5.719664      5.531239      3.536811
  N      -6.916122      5.131686      3.964292
  C      -7.904194      5.030353      3.052385
  N      -7.834771      5.306276      1.759720
  C      -6.622616      5.727513      1.296776
  C      -6.500074      6.027925     -0.081803
  C      -5.293467      6.446785     -0.597748
  C      -4.168301      6.577670      0.246579
  C      -4.251693      6.293650      1.595970
  C      -5.479580      5.858088      2.161868
  C      -1.547692     -0.846961      4.252099
  C      -1.783414     -1.403293      2.829518
  O      -2.480150     -0.525479      1.926366
  C      -3.638315      0.043330      2.373208
  O      -4.046359     -0.136225      3.525821
  C      -4.301387      0.909568      1.378049
  N      -5.428360      1.476913      1.858901
  C      -6.105673      2.312600      1.061145
  N      -5.777549      2.715950     -0.161183
  C      -4.628285      2.180859     -0.674309
  C      -4.228497      2.601612     -1.965929
  C      -3.097791      2.076854     -2.561599
  C      -2.336218      1.107706     -1.880642
  C      -2.694134      0.683870     -0.610564
  C      -3.835811      1.214346      0.044046
  C      -4.225421     -0.438104      7.040767
  C      -5.070845     -0.039593      8.247731
  O      -5.700716      1.250733      8.049420
  C      -6.949487      1.226790      7.525255
  O      -7.539118      0.205351      7.211919
  C      -7.539192      2.610130      7.431845
  N      -7.025072      3.530145      8.245047
  C      -7.625427      4.743912      8.259298
  N      -8.689181      5.124938      7.578632
  C      -9.212315      4.205492      6.715069
  C     -10.341319      4.568658      5.940775
  C     -10.872379      3.676751      5.033178
  C     -10.286333      2.401507      4.856188
  C      -9.195545      2.012454      5.607038
  C      -8.647053      2.893673      6.573199
  H      -3.152569      4.054508      8.213032
  H      -4.487212      3.290683      7.343583
  H      -3.399434      6.097282      6.691107
  H      -4.786404      5.727065      7.770289
  H      -8.863720      4.674817      3.438518
  H      -7.384519      5.900880     -0.706254
  H      -5.200536      6.669898     -1.661895
  H      -3.217843      6.911383     -0.173714
  H      -3.384590      6.412503      2.239995
  H      -2.365207     -1.181577      4.899187
  H      -0.619409     -1.322676      4.625576
  H      -2.330344     -2.357407      2.901882
  H      -0.830745     -1.583348      2.313604
  H      -7.033801      2.718628      1.475876
  H      -4.854344      3.343122     -2.464771
  H      -2.799424      2.404200     -3.559230
  H      -1.452297      0.680526     -2.357992
  H      -2.092457     -0.065755     -0.106237
  H      -4.855161     -0.427063      6.141409
  H      -3.911582     -1.489565      7.196027
  H      -5.847745     -0.793648      8.432938
  H      -4.454999      0.090656      9.147818
  H      -7.178895      5.482961      8.932721
  H     -10.752761      5.569356      6.077395
  H     -11.737927      3.960434      4.431809
  H     -10.699143      1.719511      4.111293
  H      -8.749148      1.031305      5.467258
  N      -2.626118      2.997558      3.338999
  H      -2.067745      2.501946      2.638762
  H      -2.279543      3.959319      3.405361
  H      -3.571875      3.065901      2.951399
  N      -4.756265      1.920316      4.995839
  N      -5.865520      2.107982      4.883036
101
Coordinates from ORCA-job orca E -6762.560781260312
  N      -2.742098      3.482343      6.233921
  Mo     -2.806940      1.700698      5.377498
  N      -3.054121      0.408429      6.843191
  C      -1.922308      0.060941      7.699170
  C      -1.020101      1.268786      7.848060
  N      -0.711571      1.870611      6.521726
  C      -0.349651      3.307121      6.673953
  C      -1.482074      4.183132      6.111631
  C       0.323852      1.103427      5.779079
  C      -0.115574      1.109892      4.320058
  N      -1.478618      0.610669      4.292121
  H      -1.273091      4.405100      5.053963
  H      -1.506399      5.155752      6.629179
  H       0.590295      3.513348      6.144296
  H      -0.178273      3.523396      7.738941
  H       0.557719      0.501207      3.690485
  H      -0.083689      2.143015      3.932355
  H       0.320707      0.067923      6.147870
  H       1.328481      1.523928      5.952991
  H      -2.250384     -0.247784      8.708359
  H      -1.372990     -0.806441      7.277691
  H      -1.560007      2.031123      8.425702
  H      -0.087285      1.022885      8.387155
  C      -3.659436      3.981016      7.242867
  C      -4.231537      5.368072      6.937743
  O      -5.151136      5.330913      5.829369
  C      -4.656866      5.628634      4.609185
  O      -3.493088      5.960231      4.407010
  C      -5.717067      5.525649      3.547691
  N      -6.924032      5.139344      3.959201
  C      -7.896843      5.037955      3.031606
  N      -7.804223      5.302337      1.737555
  C      -6.580744      5.707503      1.290562
  C      -6.432646      5.992470     -0.088948
  C      -5.213904      6.394213     -0.589979
  C      -4.101199      6.520578      0.270794
  C      -4.209371      6.250665      1.621513
  C      -5.450834      5.835191      2.173144
  C      -1.581625     -0.840513      4.245052
  C      -1.804676     -1.399001      2.820621
  O      -2.498192     -0.523225      1.912934
  C      -3.663317      0.033705      2.351509
  O      -4.092367     -0.167693      3.491362
  C      -4.320539      0.910323      1.357988
  N      -5.455458      1.463851      1.834312
  C      -6.139343      2.291875      1.033414
  N      -5.813211      2.694786     -0.189139
  C      -4.651429      2.179900     -0.694030
  C      -4.250122      2.607005     -1.983184
  C      -3.103771      2.105228     -2.568209
  C      -2.327150      1.153570     -1.878995
  C      -2.687336      0.722445     -0.612429
  C      -3.846560      1.228624      0.031112
  C      -4.219244     -0.436224      7.071436
  C      -5.054264     -0.028989      8.282795
  O      -5.688850      1.257780      8.077870
  C      -6.939034      1.228366      7.558449
  O      -7.529345      0.204151      7.255289
  C      -7.529549      2.611065      7.455336
  N      -7.028054      3.532845      8.274516
  C      -7.629376      4.746462      8.278089
  N      -8.682127      5.126051      7.580279
  C      -9.193488      4.204321      6.712123
  C     -10.311348      4.565892      5.921253
  C     -10.831257      3.670543      5.010647
  C     -10.244968      2.393577      4.847513
  C      -9.164543      2.006381      5.613851
  C      -8.626819      2.891947      6.582254
  H      -3.156093      4.059025      8.229807
  H      -4.491259      3.278614      7.374907
  H      -3.441503      6.101842      6.728807
  H      -4.830639      5.702477      7.794986
  H      -8.866452      4.694343      3.403056
  H      -7.307900      5.866719     -0.726374
  H      -5.102129      6.605814     -1.654642
  H      -3.140114      6.839389     -0.136761
  H      -3.351694      6.367404      2.278309
  H      -2.404980     -1.174588      4.884400
  H      -0.656247     -1.315560      4.626787
  H      -2.350288     -2.354044      2.889373
  H      -0.848254     -1.577773      2.311378
  H      -7.071744      2.690551      1.445848
  H      -4.886797      3.334509     -2.488703
  H      -2.803373      2.437437     -3.563606
  H      -1.429794      0.745885     -2.348260
  H      -2.074923     -0.014057     -0.101523
  H      -4.858121     -0.432893      6.178468
  H      -3.903787     -1.486404      7.232653
  H      -5.827423     -0.783300      8.482092
  H      -4.429847      0.111337      9.175480
  H      -7.193239      5.486481      8.957226
  H     -10.723884      5.567399      6.048193
  H     -11.688578      3.952364      4.396718
  H     -10.649608      1.708630      4.100819
  H      -8.717177      1.024306      5.484224
  N      -2.667163      3.010763      3.351027
  H      -2.095787      2.538829      2.644926
  H      -2.352995      3.983858      3.418223
  H      -3.616053      3.048313      2.966571
  N      -4.770738      1.900609      4.998646
  N      -5.882047      2.084536      4.891713
101
Coordinates from ORCA-job orca E -6762.561703147193
  N      -2.746137      3.492803      6.242399
  Mo     -2.818014      1.710370      5.392754
  N      -3.051732      0.419092      6.858643
  C      -1.909031      0.072665      7.700686
  C      -1.002646      1.279642      7.833113
  N      -0.714991      1.879309      6.500151
  C      -0.347237      3.316444      6.647690
  C      -1.488168      4.197010      6.110683
  C       0.310278      1.108834      5.744367
  C      -0.150698      1.108067      4.292289
  N      -1.515172      0.610179      4.285767
  H      -1.295469      4.431105      5.052360
  H      -1.508835      5.164318      6.638155
  H       0.582519      3.520623      6.099697
  H      -0.154350      3.528914      7.709661
  H       0.512301      0.495829      3.655184
  H      -0.124695      2.138549      3.897460
  H       0.312782      0.075260      6.118675
  H       1.316601      1.530803      5.903110
  H      -2.224668     -0.232999      8.714861
  H      -1.367131     -0.797644      7.275574
  H      -1.532516      2.043474      8.418058
  H      -0.060945      1.034140      8.356541
  C      -3.658752      3.988526      7.257232
  C      -4.245436      5.370676      6.952911
  O      -5.157018      5.324552      5.839687
  C      -4.655977      5.633530      4.623455
  O      -3.494347      5.981010      4.434152
  C      -5.703083      5.524784      3.552362
  N      -6.918407      5.153480      3.954397
  C      -7.881648      5.053903      3.017361
  N      -7.773021      5.307489      1.721716
  C      -6.540496      5.695376      1.284328
  C      -6.374434      5.966185     -0.096335
  C      -5.145926      6.348544     -0.588710
  C      -4.040746      6.468587      0.282332
  C      -4.166509      6.212778      1.634333
  C      -5.418539      5.818170      2.177785
  C      -1.622975     -0.839904      4.242898
  C      -1.834889     -1.398654      2.816598
  O      -2.521503     -0.520814      1.904970
  C      -3.692392      0.025679      2.333130
  O      -4.147348     -0.199414      3.456717
  C      -4.342023      0.915366      1.341684
  N      -5.484056      1.456210      1.812858
  C      -6.173033      2.277615      1.008579
  N      -5.848756      2.678031     -0.214840
  C      -4.674488      2.182880     -0.710336
  C      -4.270420      2.615300     -1.996870
  C      -3.107449      2.137577     -2.568824
  C      -2.315956      1.205712     -1.868880
  C      -2.679963      0.767867     -0.606073
  C      -3.858203      1.247899      0.023157
  C      -4.213662     -0.426289      7.102592
  C      -5.042174     -0.015132      8.316416
  O      -5.684630      1.265604      8.107069
  C      -6.933661      1.225763      7.585318
  O      -7.517391      0.196387      7.286610
  C      -7.531418      2.602929      7.476228
  N      -7.048563      3.526159      8.305105
  C      -7.656930      4.736070      8.302837
  N      -8.700031      5.111861      7.588885
  C      -9.194097      4.188320      6.712584
  C     -10.303227      4.545610      5.907778
  C     -10.808896      3.647841      4.991668
  C     -10.216058      2.372856      4.837166
  C      -9.143139      1.990396      5.616002
  C      -8.619451      2.878724      6.589746
  H      -3.145157      4.074188      8.237993
  H      -4.484175      3.280384      7.399502
  H      -3.460991      6.112443      6.750977
  H      -4.851843      5.695385      7.808467
  H      -8.859553      4.723082      3.379557
  H      -7.244158      5.844124     -0.741915
  H      -5.021148      6.548842     -1.654092
  H      -3.071137      6.771379     -0.117201
  H      -3.315228      6.326479      2.299837
  H      -2.454015     -1.168903      4.874485
  H      -0.703053     -1.319151      4.633046
  H      -2.383087     -2.352515      2.878817
  H      -0.875016     -1.578648      2.314522
  H      -7.109088      2.670661      1.418973
  H      -4.916755      3.328124     -2.510796
  H      -2.803945      2.474300     -3.561736
  H      -1.404060      0.818935     -2.327682
  H      -2.056346      0.046330     -0.087183
  H      -4.858903     -0.431550      6.214313
  H      -3.894045     -1.474308      7.269938
  H      -5.809167     -0.773187      8.525452
  H      -4.411900      0.132907      9.203783
  H      -7.236256      5.476179      8.991604
  H     -10.721450      5.545378      6.029591
  H     -11.659931      3.925696      4.367255
  H     -10.609785      1.685214      4.087087
  H      -8.690553      1.009811      5.493150
  N      -2.689213      3.022842      3.364315
  H      -2.107409      2.568205      2.655508
  H      -2.400761      4.003848      3.431884
  H      -3.639346      3.036155      2.981197
  N      -4.777480      1.887837      5.005403
  N      -5.891005      2.068855      4.905788
101
Coordinates from ORCA-job orca E -6762.562692943150
  N      -2.750053      3.498790      6.249817
  Mo     -2.824384      1.714655      5.406651
  N      -3.050479      0.428792      6.871996
  C      -1.898545      0.082935      7.703380
  C      -0.987828      1.288121      7.820058
  N      -0.716613      1.884992      6.481713
  C      -0.344844      3.322318      6.625261
  C      -1.493969      4.207205      6.112631
  C       0.297645      1.110068      5.714595
  C      -0.182386      1.098099      4.268574
  N      -1.548206      0.602669      4.281978
  H      -1.313912      4.456251      5.055357
  H      -1.512314      5.167836      6.652229
  H       0.575348      3.525632      6.061069
  H      -0.133211      3.531137      7.684317
  H       0.471837      0.479586      3.628273
  H      -0.159192      2.124474      3.863114
  H       0.305858      0.079103      6.096360
  H       1.305961      1.533064      5.856716
  H      -2.203801     -0.217903      8.722232
  H      -1.364967     -0.791235      7.275835
  H      -1.509116      2.054242      8.409669
  H      -0.039592      1.042337      8.331401
  C      -3.660834      3.991322      7.268171
  C      -4.263210      5.367138      6.963381
  O      -5.170230      5.312179      5.847584
  C      -4.665291      5.633394      4.634942
  O      -3.506599      5.996585      4.455378
  C      -5.701185      5.518091      3.555835
  N      -6.922010      5.154146      3.949381
  C      -7.876850      5.051860      3.004515
  N      -7.755388      5.295964      1.707602
  C      -6.516956      5.674487      1.278874
  C      -6.336295      5.932955     -0.102625
  C      -5.101015      6.303920     -0.586907
  C      -4.003111      6.424735      0.293325
  C      -4.143271      6.181601      1.646220
  C      -5.402686      5.799359      2.181698
  C      -1.663381     -0.845674      4.239380
  C      -1.862571     -1.401620      2.809945
  O      -2.539467     -0.518295      1.895159
  C      -3.719744      0.012625      2.310795
  O      -4.203276     -0.241577      3.413462
  C      -4.360970      0.918031      1.321620
  N      -5.512591      1.442039      1.784046
  C      -6.204483      2.258962      0.976384
  N      -5.877763      2.660777     -0.245625
  C      -4.688827      2.188775     -0.728190
  C      -4.277546      2.630080     -2.009423
  C      -3.094473      2.181669     -2.563412
  C      -2.288897      1.271373     -1.850514
  C      -2.661383      0.822707     -0.594268
  C      -3.862731      1.270452      0.015065
  C      -4.210167     -0.417192      7.129508
  C      -5.030917     -0.000736      8.346691
  O      -5.678711      1.275940      8.135295
  C      -6.927293      1.229454      7.611326
  O      -7.507150      0.196103      7.318959
  C      -7.527374      2.604527      7.493327
  N      -7.052549      3.532417      8.321825
  C      -7.660322      4.742126      8.309191
  N      -8.696154      5.115647      7.583257
  C      -9.184001      4.186601      6.709039
  C     -10.286554      4.540711      5.893882
  C     -10.789054      3.637314      4.981639
  C     -10.198941      2.359223      4.842027
  C      -9.131552      1.980639      5.630009
  C      -8.610410      2.875379      6.599315
  H      -3.139369      4.086401      8.243776
  H      -4.477963      3.275037      7.418360
  H      -3.484285      6.115915      6.765419
  H      -4.874956      5.683055      7.818185
  H      -8.860446      4.728743      3.359006
  H      -7.200430      5.810129     -0.755538
  H      -4.965598      6.494240     -1.652843
  H      -3.027610      6.717928     -0.099053
  H      -3.298424      6.297213      2.319684
  H      -2.503309     -1.169586      4.861654
  H      -0.750132     -1.331275      4.637977
  H      -2.414366     -2.353777      2.862114
  H      -0.898319     -1.581832      2.316622
  H      -7.146364      2.643406      1.382282
  H      -4.932381      3.327605     -2.533457
  H      -2.784563      2.526097     -3.551699
  H      -1.359398      0.910128     -2.294604
  H      -2.026709      0.117693     -0.066017
  H      -4.860783     -0.429265      6.245276
  H      -3.887165     -1.463347      7.301822
  H      -5.792495     -0.761770      8.565162
  H      -4.394082      0.152342      9.228579
  H      -7.245803      5.484829      8.999008
  H     -10.702873      5.542464      6.005806
  H     -11.635392      3.912093      4.349484
  H     -10.590123      1.665645      4.096024
  H      -8.680481      0.997891      5.518439
  N      -2.696370      3.032508      3.379166
  H      -2.104782      2.593794      2.668709
  H      -2.429806      4.019307      3.450907
  H      -3.646209      3.027120      2.995355
  N      -4.778430      1.867747      5.009900
  N      -5.894671      2.044286      4.921674
101
Coordinates from ORCA-job orca E -6762.563724721483
  N      -2.751716      3.507325      6.258269
  Mo     -2.829164      1.720437      5.419604
  N      -3.048898      0.442328      6.884554
  C      -1.888166      0.096470      7.706454
  C      -0.971871      1.298347      7.806585
  N      -0.714741      1.891337      6.463506
  C      -0.338607      3.327602      6.601817
  C      -1.496435      4.217491      6.114741
  C       0.284055      1.108974      5.684675
  C      -0.215507      1.084010      4.244648
  N      -1.583568      0.594778      4.278434
  H      -1.328138      4.481652      5.059186
  H      -1.509404      5.170970      6.667045
  H       0.571035      3.530212      6.020470
  H      -0.106784      3.533879      7.657183
  H       0.429543      0.456018      3.604088
  H      -0.190633      2.105418      3.827041
  H       0.296492      0.081075      6.074941
  H       1.296159      1.529739      5.805875
  H      -2.183444     -0.197264      8.730299
  H      -1.364675     -0.782417      7.276618
  H      -1.483622      2.068215      8.399579
  H      -0.018759      1.050180      8.307771
  C      -3.659730      3.998865      7.279419
  C      -4.269726      5.370150      6.972361
  O      -5.170545      5.307929      5.851791
  C      -4.660456      5.636552      4.643368
  O      -3.504091      6.011770      4.471608
  C      -5.686877      5.513585      3.556785
  N      -6.911675      5.154192      3.943401
  C      -7.859444      5.045566      2.992441
  N      -7.727356      5.278426      1.694259
  C      -6.484880      5.651290      1.272390
  C      -6.292171      5.896579     -0.109981
  C      -5.051849      6.260030     -0.587348
  C      -3.960679      6.387017      0.300706
  C      -4.112838      6.157581      1.654650
  C      -5.377592      5.783012      2.182782
  C      -1.708918     -0.851596      4.234531
  C      -1.897444     -1.405109      2.802303
  O      -2.564255     -0.515388      1.885112
  C      -3.756474     -0.002866      2.289584
  O      -4.264729     -0.287168      3.369550
  C      -4.388728      0.920128      1.303162
  N      -5.551576      1.424089      1.753166
  C      -6.244861      2.237466      0.941403
  N      -5.910870      2.644312     -0.276780
  C      -4.706722      2.196777     -0.743459
  C      -4.284776      2.648915     -2.017522
  C      -3.081111      2.231085     -2.550264
  C      -2.264238      1.341845     -1.823021
  C      -2.648346      0.880505     -0.575161
  C      -3.873343      1.294471      0.010847
  C      -4.205490     -0.405978      7.154913
  C      -5.019330      0.016462      8.374605
  O      -5.673200      1.288978      8.160447
  C      -6.921392      1.233560      7.633695
  O      -7.494658      0.195406      7.346393
  C      -7.528080      2.604935      7.508369
  N      -7.061529      3.538755      8.334859
  C      -7.672932      4.746038      8.313345
  N      -8.705248      5.113566      7.578689
  C      -9.185625      4.177463      6.707528
  C     -10.284471      4.524042      5.884055
  C     -10.781715      3.613566      4.976017
  C     -10.189572      2.334821      4.849443
  C      -9.125144      1.964171      5.644979
  C      -8.608805      2.866835      6.609407
  H      -3.133504      4.101041      8.251797
  H      -4.471055      3.276936      7.433951
  H      -3.492996      6.122273      6.778374
  H      -4.887380      5.681244      7.824525
  H      -8.846456      4.727767      3.342353
  H      -7.150946      5.769548     -0.769108
  H      -4.907228      6.439642     -1.653967
  H      -2.981199      6.674073     -0.086333
  H      -3.274058      6.278924      2.334809
  H      -2.557721     -1.168447      4.848414
  H      -0.803094     -1.345279      4.640741
  H      -2.452760     -2.355308      2.846431
  H      -0.929182     -1.585309      2.317075
  H      -7.194443      2.610739      1.339648
  H      -4.946237      3.331621     -2.552661
  H      -2.762541      2.584754     -3.532516
  H      -1.316682      1.007293     -2.249505
  H      -2.004314      0.192196     -0.036325
  H      -4.860637     -0.425509      6.274199
  H      -3.877393     -1.449564      7.331852
  H      -5.775450     -0.747352      8.602722
  H      -4.376856      0.175737      9.251309
  H      -7.265015      5.493190      9.002388
  H     -10.702257      5.526161      5.987330
  H     -11.625396      3.882275      4.337716
  H     -10.576336      1.634222      4.107679
  H      -8.671966      0.981201      5.543195
  N      -2.699673      3.044524      3.393232
  H      -2.100823      2.618704      2.681241
  H      -2.449832      4.035032      3.471822
  H      -3.648765      3.026677      3.008155
  N      -4.776788      1.850693      5.016786
  N      -5.895714      2.023038      4.937958
101
Coordinates from ORCA-job orca E -6762.564766940258
  N      -2.752509      3.517098      6.269703
  Mo     -2.832663      1.726212      5.431585
  N      -3.047208      0.454200      6.896555
  C      -1.878621      0.107824      7.709805
  C      -0.956606      1.306224      7.794711
  N      -0.712013      1.896169      6.447577
  C      -0.330761      3.330517      6.580825
  C      -1.497104      4.226498      6.120765
  C       0.269959      1.105312      5.657414
  C      -0.247351      1.067729      4.222792
  N      -1.618405      0.587679      4.275002
  H      -1.339565      4.506744      5.067730
  H      -1.501779      5.171870      6.687101
  H       0.567338      3.532768      5.981623
  H      -0.076777      3.534152      7.631748
  H       0.389058      0.428743      3.584383
  H      -0.216989      2.084213      3.793833
  H       0.285660      0.080371      6.055460
  H       1.286405      1.521912      5.756563
  H      -2.164648     -0.178485      8.738297
  H      -1.365034     -0.775281      7.277279
  H      -1.458562      2.079983      8.390933
  H       0.000307      1.054317      8.286914
  C      -3.658003      4.008606      7.292768
  C      -4.271064      5.377437      6.983478
  O      -5.166598      5.311692      5.857883
  C      -4.654527      5.648433      4.653985
  O      -3.501955      6.038210      4.487321
  C      -5.673758      5.512355      3.561207
  N      -6.900300      5.152784      3.942854
  C      -7.841523      5.030953      2.987019
  N      -7.700869      5.248300      1.687261
  C      -6.456596      5.619963      1.269809
  C      -6.254183      5.847423     -0.114098
  C      -5.010912      6.207869     -0.586527
  C      -3.926686      6.350496      0.307859
  C      -4.088606      6.139118      1.663627
  C      -5.356425      5.767492      2.186242
  C      -1.755058     -0.856710      4.228041
  C      -1.932413     -1.407977      2.792897
  O      -2.588514     -0.511679      1.873412
  C      -3.795420     -0.019896      2.265772
  O      -4.324912     -0.334199      3.322586
  C      -4.417220      0.921008      1.281697
  N      -5.592575      1.402519      1.715864
  C      -6.285198      2.214105      0.899923
  N      -5.939704      2.629095     -0.312055
  C      -4.720839      2.206105     -0.760807
  C      -4.286524      2.670404     -2.026547
  C      -3.063139      2.283431     -2.536280
  C      -2.237336      1.414471     -1.794059
  C      -2.634350      0.939223     -0.555812
  C      -3.882300      1.318721      0.005292
  C      -4.200654     -0.396654      7.177666
  C      -5.008793      0.033098      8.398618
  O      -5.666960      1.302710      8.179729
  C      -6.915218      1.239393      7.651359
  O      -7.483017      0.197199      7.369222
  C      -7.528484      2.607726      7.519476
  N      -7.065452      3.547646      8.340811
  C      -7.679673      4.753073      8.310508
  N      -8.710613      5.114464      7.570209
  C      -9.187291      4.171103      6.704659
  C     -10.283449      4.510146      5.874301
  C     -10.777653      3.592024      4.972366
  C     -10.185700      2.311670      4.859509
  C      -9.123654      1.948490      5.661675
  C      -8.609311      2.860214      6.618556
  H      -3.130544      4.115604      8.264129
  H      -4.465640      3.282968      7.448555
  H      -3.495800      6.131912      6.793329
  H      -4.894625      5.685384      7.832551
  H      -8.829926      4.716432      3.335275
  H      -7.107403      5.709210     -0.778068
  H      -4.858293      6.373268     -1.654362
  H      -2.945319      6.635053     -0.076280
  H      -3.255452      6.272246      2.348419
  H      -2.613829     -1.165193      4.832346
  H      -0.858101     -1.359581      4.643030
  H      -2.490493     -2.356475      2.831089
  H      -0.959986     -1.587725      2.315994
  H      -7.243307      2.575271      1.287931
  H      -4.953561      3.338578     -2.573040
  H      -2.734923      2.647125     -3.511675
  H      -1.272433      1.106856     -2.201475
  H      -1.982974      0.267100     -0.005762
  H      -4.859731     -0.422522      6.300030
  H      -3.867933     -1.437845      7.358111
  H      -5.761457     -0.731274      8.636364
  H      -4.362026      0.199791      9.270712
  H      -7.275377      5.505593      8.995866
  H     -10.701251      5.513233      5.968221
  H     -11.619190      3.855088      4.328896
  H     -10.570130      1.603921      4.123360
  H      -8.669901      0.964835      5.569733
  N      -2.700351      3.058176      3.406618
  H      -2.094963      2.644557      2.693116
  H      -2.463789      4.051104      3.494329
  H      -3.647800      3.032290      3.018587
  N      -4.772804      1.835205      5.022887
  N      -5.894426      2.003133      4.950812
101
Coordinates from ORCA-job orca E -6762.565790627808
  N      -2.755026      3.528948      6.283227
  Mo     -2.838774      1.733231      5.442307
  N      -3.044966      0.463677      6.909375
  C      -1.868196      0.118230      7.712552
  C      -0.941573      1.314550      7.781681
  N      -0.711227      1.901766      6.430145
  C      -0.324293      3.334263      6.556986
  C      -1.499762      4.236504      6.127405
  C       0.254169      1.102636      5.628559
  C      -0.280679      1.053498      4.199608
  N      -1.654878      0.583768      4.269954
  H      -1.354900      4.533478      5.076967
  H      -1.493401      5.173132      6.708373
  H       0.559687      3.536124      5.937008
  H      -0.043563      3.535430      7.601784
  H       0.346811      0.403478      3.563576
  H      -0.244146      2.065474      3.760693
  H       0.273617      0.080497      6.033485
  H       1.274369      1.515225      5.705455
  H      -2.144034     -0.160715      8.745781
  H      -1.362809     -0.768195      7.277548
  H      -1.433430      2.091914      8.381600
  H       0.019757      1.059742      8.263805
  C      -3.656640      4.020541      7.308739
  C      -4.269511      5.388188      6.996093
  O      -5.158202      5.317912      5.864247
  C      -4.643375      5.658783      4.664902
  O      -3.494434      6.061643      4.503054
  C      -5.655515      5.507908      3.565507
  N      -6.883305      5.146958      3.941253
  C      -7.816619      5.010207      2.979326
  N      -7.666114      5.211082      1.678575
  C      -6.420321      5.583400      1.266468
  C      -6.207337      5.792979     -0.118440
  C      -4.961385      6.152807     -0.584677
  C      -3.885799      6.313877      0.316873
  C      -4.058487      6.120745      1.674166
  C      -5.328911      5.748948      2.189980
  C      -1.802293     -0.858973      4.218689
  C      -1.968337     -1.408167      2.780741
  O      -2.616082     -0.506723      1.860296
  C      -3.838330     -0.037876      2.240764
  O      -4.385056     -0.381544      3.276220
  C      -4.450498      0.918203      1.259085
  N      -5.641085      1.372715      1.673406
  C      -6.332217      2.182108      0.852434
  N      -5.971414      2.608821     -0.350628
  C      -4.736622      2.213693     -0.778004
  C      -4.287443      2.694052     -2.032869
  C      -3.043913      2.341058     -2.516561
  C      -2.211045      1.492100     -1.758625
  C      -2.622656      0.999917     -0.532270
  C      -3.893968      1.341451      0.000894
  C      -4.194619     -0.389304      7.201128
  C      -4.997822      0.049455      8.422062
  O      -5.659710      1.316413      8.195020
  C      -6.908406      1.245169      7.667313
  O      -7.471894      0.199099      7.391806
  C      -7.528746      2.610538      7.529227
  N      -7.066075      3.556633      8.343488
  C      -7.683844      4.760178      8.305222
  N      -8.715241      5.114607      7.561982
  C      -9.190561      4.164220      6.703462
  C     -10.285681      4.495204      5.868384
  C     -10.777939      3.568955      4.973788
  C     -10.186281      2.287324      4.873582
  C      -9.125193      1.931666      5.680562
  C      -8.611676      2.853059      6.628585
  H      -3.129509      4.130768      8.280054
  H      -4.463114      3.293916      7.465596
  H      -3.495714      6.144643      6.808862
  H      -4.899810      5.695874      7.840492
  H      -8.806298      4.697938      3.325104
  H      -7.053987      5.641472     -0.787666
  H      -4.799637      6.304066     -1.653258
  H      -2.903045      6.598373     -0.063735
  H      -3.231797      6.268254      2.363719
  H      -2.671433     -1.158998      4.812291
  H      -0.915020     -1.371074      4.643268
  H      -2.527351     -2.355969      2.815429
  H      -0.992172     -1.586396      2.311017
  H      -7.300556      2.528793      1.227104
  H      -4.959307      3.347676     -2.590742
  H      -2.704219      2.717372     -3.483184
  H      -1.228610      1.213885     -2.144649
  H      -1.965685      0.343796      0.030250
  H      -4.858276     -0.421659      6.327119
  H      -3.857792     -1.428211      7.385399
  H      -5.748524     -0.713355      8.670703
  H      -4.347523      0.226313      9.289440
  H      -7.281717      5.518654      8.985242
  H     -10.703839      5.498979      5.953221
  H     -11.618468      3.826242      4.326668
  H     -10.569844      1.572726      4.143685
  H      -8.671078      0.947504      5.597524
  N      -2.708871      3.073999      3.418449
  H      -2.097654      2.673696      2.702363
  H      -2.484236      4.068824      3.515839
  H      -3.654656      3.041579      3.027238
  N      -4.771621      1.821660      5.030178
  N      -5.895820      1.984120      4.961350
101
Coordinates from ORCA-job orca E -6762.566771983886
  N      -2.749686      3.540427      6.296196
  Mo     -2.840593      1.738750      5.452946
  N      -3.041981      0.470655      6.924865
  C      -1.859154      0.125773      7.719157
  C      -0.926596      1.319289      7.771993
  N      -0.708609      1.901060      6.415088
  C      -0.311802      3.331327      6.533167
  C      -1.492975      4.242780      6.134399
  C       0.241366      1.090989      5.605434
  C      -0.307673      1.031732      4.181421
  N      -1.686231      0.576458      4.267104
  H      -1.360164      4.556570      5.086925
  H      -1.472596      5.170348      6.729787
  H       0.557245      3.528862      5.891155
  H      -0.001764      3.530088      7.570358
  H       0.310004      0.368757      3.549322
  H      -0.262016      2.038802      3.732130
  H       0.261507      0.071862      6.017613
  H       1.265096      1.498144      5.663617
  H      -2.126522     -0.144332      8.756951
  H      -1.361081     -0.764984      7.284655
  H      -1.407886      2.101843      8.373745
  H       0.038671      1.061779      8.244702
  C      -3.648252      4.035487      7.321818
  C      -4.260668      5.403179      7.005804
  O      -5.147478      5.328804      5.871654
  C      -4.637162      5.676140      4.674421
  O      -3.494147      6.095607      4.512215
  C      -5.646609      5.507916      3.572903
  N      -6.872658      5.141393      3.947289
  C      -7.801191      4.988377      2.982417
  N      -7.646353      5.175497      1.680767
  C      -6.401720      5.552702      1.269508
  C      -6.184458      5.747930     -0.116636
  C      -4.938443      6.110191     -0.581238
  C      -3.868347      6.289652      0.323100
  C      -4.046054      6.112395      1.681956
  C      -5.316166      5.737204      2.196041
  C      -1.848288     -0.864191      4.211431
  C      -2.001787     -1.410592      2.770622
  O      -2.640761     -0.504151      1.849288
  C      -3.876918     -0.056472      2.214408
  O      -4.440247     -0.426683      3.229682
  C      -4.477963      0.911903      1.233891
  N      -5.683687      1.340959      1.625794
  C      -6.369573      2.150918      0.799930
  N      -5.991065      2.589475     -0.392898
  C      -4.741795      2.219258     -0.797278
  C      -4.276487      2.715349     -2.040473
  C      -3.014523      2.394574     -2.496589
  C      -2.177807      1.564157     -1.721986
  C      -2.605078      1.055375     -0.508318
  C      -3.897912      1.360399     -0.004695
  C      -4.189580     -0.381640      7.224963
  C      -4.990335      0.066846      8.443602
  O      -5.654130      1.331390      8.205170
  C      -6.902359      1.252684      7.677613
  O      -7.462328      0.202843      7.409011
  C      -7.529417      2.614352      7.533154
  N      -7.064715      3.567001      8.338573
  C      -7.685892      4.768929      8.292430
  N      -8.718513      5.116027      7.547714
  C      -9.194662      4.158662      6.697733
  C     -10.289530      4.481967      5.859317
  C     -10.781701      3.547152      4.973686
  C     -10.191912      2.263797      4.886676
  C      -9.131066      1.914988      5.697248
  C      -8.615963      2.846707      6.634364
  H      -3.121958      4.148217      8.293400
  H      -4.455972      3.310703      7.480882
  H      -3.489161      6.161512      6.817654
  H      -4.894274      5.712732      7.847203
  H      -8.790560      4.675950      3.328342
  H      -7.026974      5.582733     -0.787550
  H      -4.772099      6.249696     -1.650671
  H      -2.886236      6.576342     -0.057485
  H      -3.223022      6.273791      2.372483
  H      -2.729969     -1.153200      4.791808
  H      -0.973760     -1.387936      4.648128
  H      -2.562407     -2.357397      2.801835
  H      -1.022062     -1.588631      2.308326
  H      -7.346650      2.486914      1.160757
  H      -4.951322      3.355605     -2.610048
  H      -2.662122      2.783108     -3.453760
  H      -1.179407      1.313910     -2.085474
  H      -1.945451      0.413589      0.067405
  H      -4.856752     -0.419380      6.353779
  H      -3.851148     -1.419004      7.413972
  H      -5.741083     -0.692600      8.701912
  H      -4.338488      0.254316      9.307525
  H      -7.284808      5.533649      8.965998
  H     -10.707356      5.486652      5.934461
  H     -11.621753      3.799003      4.323796
  H     -10.576674      1.542392      4.164194
  H      -8.677886      0.929831      5.623431
  N      -2.709345      3.086418      3.429703
  H      -2.092569      2.696966      2.712407
  H      -2.491877      4.081956      3.535896
  H      -3.652388      3.051702      3.033067
  N      -4.766957      1.812084      5.037417
  N      -5.893405      1.969084      4.967896
101
Coordinates from ORCA-job orca E -6762.567715050097
  N      -2.745617      3.550641      6.310143
  Mo     -2.844722      1.744967      5.464044
  N      -3.036548      0.476316      6.943109
  C      -1.847441      0.135519      7.727528
  C      -0.911331      1.328018      7.761331
  N      -0.708320      1.901481      6.397695
  C      -0.301712      3.330540      6.503646
  C      -1.489165      4.250343      6.140273
  C       0.229050      1.081321      5.581640
  C      -0.334130      1.013740      4.163164
  N      -1.716493      0.571780      4.263817
  H      -1.372518      4.582406      5.095913
  H      -1.454907      5.168078      6.750469
  H       0.548416      3.522371      5.835247
  H       0.042818      3.527319      7.530482
  H       0.272860      0.339304      3.533026
  H      -0.282210      2.016343      3.704411
  H       0.250492      0.065327      6.001180
  H       1.254754      1.485361      5.624484
  H      -2.105381     -0.124843      8.770363
  H      -1.353460     -0.759666      7.296997
  H      -1.383052      2.116046      8.363566
  H       0.059357      1.071579      8.223281
  C      -3.639797      4.046940      7.337375
  C      -4.253289      5.414103      7.018773
  O      -5.136323      5.331819      5.881837
  C      -4.625780      5.679571      4.685704
  O      -3.485633      6.107461      4.525220
  C      -5.631107      5.500551      3.580778
  N      -6.857163      5.133294      3.952022
  C      -7.780514      4.970326      2.982834
  N      -7.619468      5.147570      1.681101
  C      -6.374172      5.526078      1.272800
  C      -6.152173      5.713730     -0.113601
  C      -4.905167      6.076302     -0.575187
  C      -3.839845      6.264427      0.332606
  C      -4.023001      6.096738      1.692027
  C      -5.294089      5.720732      2.203613
  C      -1.892645     -0.866945      4.203578
  C      -2.032434     -1.410060      2.759972
  O      -2.667505     -0.501292      1.839150
  C      -3.914904     -0.075644      2.189379
  O      -4.492365     -0.471393      3.186583
  C      -4.508727      0.901648      1.212218
  N      -5.729384      1.303627      1.583734
  C      -6.411451      2.114763      0.755479
  N      -6.018417      2.567294     -0.426838
  C      -4.755454      2.223532     -0.810074
  C      -4.276912      2.737762     -2.041081
  C      -2.998475      2.450601     -2.471865
  C      -2.157494      1.637243     -1.683335
  C      -2.597454      1.109675     -0.482797
  C      -3.908962      1.377346     -0.006428
  C      -4.181824     -0.373684      7.252714
  C      -4.981488      0.087114      8.467370
  O      -5.648484      1.347863      8.213420
  C      -6.896210      1.260596      7.688077
  O      -7.453652      0.206176      7.430492
  C      -7.529420      2.618489      7.533382
  N      -7.064486      3.579184      8.329250
  C      -7.690036      4.779029      8.273107
  N      -8.723025      5.116745      7.525353
  C      -9.198060      4.151363      6.684172
  C     -10.291956      4.465544      5.841182
  C     -10.781699      3.521121      4.964397
  C     -10.191688      2.237244      4.891598
  C      -9.131769      1.896664      5.707092
  C      -8.618102      2.839286      6.634164
  H      -3.112212      4.161091      8.308095
  H      -4.449580      3.325103      7.500678
  H      -3.484545      6.174775      6.829167
  H      -4.890178      5.725982      7.856911
  H      -8.771239      4.658707      3.325664
  H      -6.991467      5.541916     -0.786701
  H      -4.734289      6.209803     -1.644622
  H      -2.857218      6.551868     -0.046064
  H      -3.203245      6.266967      2.384195
  H      -2.786985     -1.145696      4.769305
  H      -1.031589     -1.401982      4.653279
  H      -2.592139     -2.357522      2.787073
  H      -1.049467     -1.585925      2.303844
  H      -7.397579      2.437226      1.103897
  H      -4.955379      3.365622     -2.619881
  H      -2.635149      2.853207     -3.419062
  H      -1.145169      1.415683     -2.026333
  H      -1.935371      0.480416      0.104092
  H      -4.852398     -0.419515      6.384504
  H      -3.842704     -1.409275      7.450392
  H      -5.731823     -0.668687      8.736990
  H      -4.328454      0.288193      9.327360
  H      -7.291436      5.550817      8.940033
  H     -10.711164      5.470402      5.905236
  H     -11.620723      3.766228      4.310562
  H     -10.575875      1.508696      4.176002
  H      -8.678081      0.911118      5.643507
  N      -2.719528      3.097177      3.440577
  H      -2.096962      2.719472      2.721908
  H      -2.510720      4.093951      3.553279
  H      -3.660265      3.057228      3.039084
  N      -4.766319      1.802629      5.046842
  N      -5.894518      1.951638      4.970523
101
Coordinates from ORCA-job orca E -6762.568624992692
  N      -2.726600      3.556785      6.321317
  Mo     -2.838663      1.747674      5.475275
  N      -3.028785      0.482396      6.963611
  C      -1.837568      0.144621      7.743387
  C      -0.895111      1.333064      7.757645
  N      -0.700766      1.891887      6.386246
  C      -0.279140      3.318309      6.476368
  C      -1.467707      4.250298      6.146119
  C       0.224457      1.056327      5.570334
  C      -0.347148      0.981920      4.155400
  N      -1.735171      0.559410      4.265586
  H      -1.364046      4.600797      5.105970
  H      -1.418115      5.157678      6.770871
  H       0.552032      3.498548      5.781569
  H       0.099730      3.513609      7.491493
  H       0.248235      0.292825      3.530211
  H      -0.283262      1.978838      3.685525
  H       0.240448      0.044140      5.999059
  H       1.253218      1.453355      5.603589
  H      -2.090373     -0.102288      8.791009
  H      -1.347848     -0.757912      7.322780
  H      -1.357603      2.130025      8.355303
  H       0.078823      1.077238      8.212930
  C      -3.618811      4.060356      7.345656
  C      -4.232365      5.428106      7.024444
  O      -5.120890      5.340905      5.891927
  C      -4.619879      5.691677      4.693040
  O      -3.483999      6.127907      4.525285
  C      -5.629727      5.504554      3.593200
  N      -6.852018      5.132964      3.970048
  C      -7.778041      4.962754      3.003689
  N      -7.621879      5.137382      1.701240
  C      -6.379757      5.521483      1.287619
  C      -6.164488      5.710021     -0.099764
  C      -4.920488      6.076537     -0.566417
  C      -3.852293      6.268065      0.337267
  C      -4.029960      6.101950      1.697321
  C      -5.297661      5.722218      2.214638
  C      -1.932995     -0.875839      4.201337
  C      -2.058744     -1.415180      2.755544
  O      -2.688329     -0.503529      1.834170
  C      -3.944461     -0.095403      2.165772
  O      -4.536445     -0.511935      3.145851
  C      -4.528689      0.889605      1.190759
  N      -5.760087      1.274377      1.543510
  C      -6.432798      2.092501      0.714502
  N      -6.024836      2.556348     -0.457969
  C      -4.752806      2.226950     -0.822897
  C      -4.260418      2.753221     -2.043484
  C      -2.970170      2.487887     -2.451688
  C      -2.130696      1.685140     -1.650285
  C      -2.584400      1.144158     -0.461252
  C      -3.909419      1.386976     -0.009341
  C      -4.174695     -0.362329      7.279555
  C      -4.977616      0.111628      8.486849
  O      -5.646873      1.367649      8.214182
  C      -6.892519      1.270891      7.688000
  O      -7.446459      0.211384      7.441315
  C      -7.532069      2.623478      7.520814
  N      -7.066813      3.594412      8.304102
  C      -7.697449      4.791463      8.237028
  N      -8.733078      5.117240      7.488417
  C      -9.207667      4.141753      6.658937
  C     -10.303639      4.444247      5.814530
  C     -10.792513      3.488576      4.949386
  C     -10.200512      2.205186      4.890876
  C      -9.138729      1.875400      5.708522
  C      -8.624685      2.830424      6.622729
  H      -3.089815      4.175667      8.315555
  H      -4.432614      3.343827      7.513644
  H      -3.464999      6.188447      6.827896
  H      -4.865857      5.744977      7.863192
  H      -8.766982      4.648491      3.349532
  H      -7.006028      5.535322     -0.769225
  H      -4.754151      6.210720     -1.636426
  H      -2.872003      6.558289     -0.045296
  H      -3.207925      6.275678      2.385836
  H      -2.842095     -1.139612      4.750687
  H      -1.089548     -1.426141      4.666036
  H      -2.619410     -2.362289      2.776763
  H      -1.072666     -1.590844      2.306240
  H      -7.424328      2.409133      1.052793
  H      -4.938178      3.373984     -2.630798
  H      -2.595204      2.900042     -3.390173
  H      -1.108368      1.482697     -1.974913
  H      -1.924369      0.521782      0.135388
  H      -4.845089     -0.416831      6.411720
  H      -3.837425     -1.396329      7.489121
  H      -5.728167     -0.640679      8.765209
  H      -4.326374      0.326081      9.344976
  H      -7.300280      5.571658      8.894934
  H     -10.725496      5.448611      5.867364
  H     -11.632770      3.724844      4.293862
  H     -10.585164      1.467990      4.184408
  H      -8.683576      0.889935      5.655662
  N      -2.709298      3.100099      3.451886
  H      -2.080935      2.727667      2.735563
  H      -2.501358      4.096331      3.570396
  H      -3.646384      3.062010      3.042202
  N      -4.757688      1.798222      5.056458
  N      -5.886660      1.939260      4.966443
101
Coordinates from ORCA-job orca E -6762.569514501055
  N      -2.713087      3.561502      6.335156
  Mo     -2.838538      1.754564      5.487464
  N      -3.019998      0.492054      6.982837
  C      -1.824756      0.159245      7.755887
  C      -0.878424      1.344600      7.748573
  N      -0.697030      1.887976      6.369254
  C      -0.262620      3.312342      6.442672
  C      -1.454256      4.254468      6.152832
  C       0.216664      1.039509      5.552200
  C      -0.366860      0.960851      4.142510
  N      -1.758974      0.554309      4.264531
  H      -1.368462      4.627427      5.118548
  H      -1.391973      5.149019      6.794816
  H       0.544541      3.482977      5.717837
  H       0.154379      3.504779      7.443393
  H       0.215571      0.260556      3.517598
  H      -0.295976      1.953154      3.663688
  H       0.228985      0.030812      5.989226
  H       1.247527      1.431472      5.576933
  H      -2.069789     -0.075097      8.808640
  H      -1.338621     -0.750295      7.345413
  H      -1.332258      2.149737      8.341978
  H       0.100389      1.091717      8.194944
  C      -3.601050      4.067794      7.360359
  C      -4.216556      5.435064      7.037964
  O      -5.105558      5.342264      5.906467
  C      -4.602942      5.689567      4.705517
  O      -3.467304      6.126756      4.538110
  C      -5.609449      5.497430      3.604639
  N      -6.832315      5.127951      3.981137
  C      -7.755498      4.948895      3.013392
  N      -7.595611      5.113497      1.709960
  C      -6.352932      5.496806      1.296915
  C      -6.135621      5.677149     -0.091441
  C      -4.891971      6.043609     -0.558499
  C      -3.825827      6.242748      0.346064
  C      -4.005390      6.084432      1.706764
  C      -5.273296      5.705790      2.225350
  C      -1.977186     -0.877293      4.196760
  C      -2.090213     -1.412478      2.748860
  O      -2.718015     -0.498704      1.827880
  C      -3.980633     -0.108307      2.144063
  O      -4.586097     -0.546245      3.106610
  C      -4.560939      0.886318      1.176023
  N      -5.804001      1.246870      1.512715
  C      -6.474791      2.066510      0.683570
  N      -6.057575      2.546400     -0.479015
  C      -4.774408      2.241164     -0.826301
  C      -4.272665      2.783594     -2.035913
  C      -2.970242      2.547684     -2.422850
  C      -2.127715      1.758496     -1.610680
  C      -2.590908      1.199570     -0.433907
  C      -3.928964      1.410747     -0.005064
  C      -4.165405     -0.347742      7.308403
  C      -4.970149      0.140439      8.509252
  O      -5.644126      1.390100      8.218775
  C      -6.888084      1.282021      7.693449
  O      -7.438076      0.216815      7.460590
  C      -7.533712      2.629567      7.509398
  N      -7.074485      3.612395      8.281208
  C      -7.711651      4.805339      8.200333
  N      -8.748389      5.116494      7.447517
  C      -9.216742      4.128923      6.628655
  C     -10.313159      4.416557      5.779776
  C     -10.795467      3.448766      4.924181
  C     -10.196305      2.168216      4.880848
  C      -9.134309      1.852774      5.703698
  C      -8.626595      2.820555      6.608009
  H      -3.067186      4.183954      8.327543
  H      -4.416629      3.354159      7.533795
  H      -3.449064      6.194648      6.838238
  H      -4.848706      5.753868      7.876857
  H      -8.745581      4.634921      3.356789
  H      -6.975849      5.496772     -0.761244
  H      -4.724622      6.172357     -1.629041
  H      -2.845100      6.532730     -0.035642
  H      -3.185050      6.265381      2.395709
  H      -2.898778     -1.127822      4.731502
  H      -1.149949     -1.441973      4.673858
  H      -2.649834     -2.360443      2.761899
  H      -1.101288     -1.585493      2.304999
  H      -7.475650      2.365489      1.011118
  H      -4.953230      3.393324     -2.631443
  H      -2.587084      2.972578     -3.352303
  H      -1.095518      1.580792     -1.918180
  H      -1.929200      0.586343      0.170499
  H      -4.836049     -0.414092      6.441443
  H      -3.829465     -1.379326      7.532691
  H      -5.718129     -0.610522      8.798001
  H      -4.319016      0.369126      9.363830
  H      -7.318740      5.594817      8.849705
  H     -10.741118      5.418901      5.820547
  H     -11.635804      3.673385      4.264636
  H     -10.576109      1.421396      4.181796
  H      -8.673511      0.869230      5.662621
  N      -2.715015      3.106059      3.464742
  H      -2.082294      2.741617      2.748142
  H      -2.512774      4.103040      3.587269
  H      -3.651061      3.063460      3.052314
  N      -4.756269      1.795001      5.067298
  N      -5.885472      1.925496      4.961037
101
Coordinates from ORCA-job orca E -6762.570409124999
  N      -2.690504      3.561398      6.344575
  Mo     -2.831097      1.757530      5.496216
  N      -3.009116      0.503311      7.000013
  C      -1.813032      0.174648      7.772090
  C      -0.860836      1.354449      7.743537
  N      -0.686388      1.877781      6.356062
  C      -0.237949      3.298540      6.409460
  C      -1.430369      4.252377      6.158173
  C       0.214876      1.012429      5.543270
  C      -0.375452      0.928722      4.136649
  N      -1.772575      0.542968      4.266184
  H      -1.358821      4.649139      5.131516
  H      -1.355135      5.132411      6.818678
  H       0.544628      3.457807      5.655669
  H       0.216049      3.489264      7.394473
  H       0.194696      0.214384      3.516375
  H      -0.291396      1.914895      3.647256
  H       0.218053      0.007929      5.989959
  H       1.249489      1.394879      5.561918
  H      -2.054073     -0.043851      8.829473
  H      -1.331841     -0.743758      7.375083
  H      -1.306730      2.170223      8.328408
  H       0.120277      1.103346      8.185937
  C      -3.576900      4.074770      7.367040
  C      -4.191422      5.441087      7.040537
  O      -5.085892      5.342555      5.914238
  C      -4.586783      5.684588      4.709807
  O      -3.450692      6.118377      4.536471
  C      -5.597354      5.491491      3.614112
  N      -6.817033      5.116056      3.995383
  C      -7.743902      4.934749      3.031676
  N      -7.590695      5.104917      1.727755
  C      -6.352012      5.497448      1.310862
  C      -6.142902      5.689729     -0.077247
  C      -4.903624      6.066443     -0.547941
  C      -3.833358      6.263804      0.352697
  C      -4.005488      6.094798      1.712707
  C      -5.268718      5.706560      2.234807
  C      -2.016545     -0.883448      4.196595
  C      -2.120836     -1.417107      2.748855
  O      -2.745877     -0.501569      1.826566
  C      -4.015002     -0.125757      2.126537
  O      -4.631130     -0.579586      3.074471
  C      -4.589919      0.875747      1.161105
  N      -5.842712      1.218909      1.477205
  C      -6.504772      2.042924      0.645068
  N      -6.071795      2.537519     -0.505817
  C      -4.779630      2.246991     -0.832230
  C      -4.260630      2.802586     -2.028548
  C      -2.947656      2.585714     -2.390071
  C      -2.111110      1.803336     -1.564879
  C      -2.591284      1.230466     -0.401829
  C      -3.940911      1.420680     -0.000596
  C      -4.155600     -0.331005      7.333758
  C      -4.964183      0.172713      8.526146
  O      -5.642391      1.415248      8.216238
  C      -6.884945      1.295114      7.691243
  O      -7.430762      0.224471      7.473040
  C      -7.535997      2.637479      7.487840
  N      -7.077189      3.634902      8.240358
  C      -7.719716      4.823706      8.144890
  N      -8.763811      5.117746      7.395386
  C      -9.231933      4.115005      6.594720
  C     -10.335462      4.384451      5.749032
  C     -10.817398      3.402296      4.909507
  C     -10.210602      2.124951      4.880360
  C      -9.142365      1.827129      5.701525
  C      -8.634639      2.809882      6.589522
  H      -3.040680      4.193230      8.332763
  H      -4.394627      3.364198      7.543869
  H      -3.422153      6.196788      6.832787
  H      -4.818678      5.765586      7.880886
  H      -8.731103      4.614399      3.377673
  H      -6.985763      5.510716     -0.744110
  H      -4.743060      6.205140     -1.618250
  H      -2.855685      6.561464     -0.030901
  H      -3.183227      6.274613      2.399745
  H      -2.949808     -1.116391      4.719475
  H      -1.207085     -1.464654      4.684910
  H      -2.680319     -2.365202      2.755939
  H      -1.129837     -1.588489      2.309184
  H      -7.513021      2.331255      0.959174
  H      -4.936350      3.407786     -2.634112
  H      -2.550717      3.020968     -3.308857
  H      -1.070227      1.642321     -1.851501
  H      -1.934127      0.622099      0.212518
  H      -4.824002     -0.410065      6.465927
  H      -3.821711     -1.359648      7.574413
  H      -5.709491     -0.577120      8.824549
  H      -4.314660      0.416119      9.377841
  H      -7.324980      5.624899      8.778535
  H     -10.769210      5.384693      5.778209
  H     -11.662684      3.612963      4.251762
  H     -10.589776      1.366246      4.193852
  H      -8.675899      0.845776      5.671740
  N      -2.705925      3.104887      3.475521
  H      -2.069237      2.741958      2.761821
  H      -2.501622      4.100742      3.603402
  H      -3.639678      3.065978      3.057535
  N      -4.750282      1.794778      5.079346
  N      -5.878587      1.914426      4.951976
101
Coordinates from ORCA-job orca E -6762.571315036090
  N      -2.667360      3.560768      6.356429
  Mo     -2.825550      1.762992      5.506361
  N      -3.000643      0.517306      7.015178
  C      -1.802693      0.190026      7.785526
  C      -0.842750      1.362558      7.736265
  N      -0.676993      1.867574      6.341169
  C      -0.213679      3.283670      6.375515
  C      -1.405680      4.250151      6.167530
  C       0.209743      0.985688      5.530897
  C      -0.389702      0.898911      4.128305
  N      -1.790927      0.534345      4.267453
  H      -1.348870      4.674392      5.150988
  H      -1.317631      5.112208      6.849840
  H       0.541469      3.433430      5.592457
  H       0.279243      3.469935      7.342866
  H       0.167029      0.172179      3.510296
  H      -0.293416      1.879769      3.630380
  H       0.203371     -0.015070      5.985822
  H       1.248719      1.356665      5.542348
  H      -2.038754     -0.014020      8.847077
  H      -1.330107     -0.737192      7.398602
  H      -1.278479      2.188554      8.314412
  H       0.140555      1.110469      8.173244
  C      -3.552756      4.081598      7.376330
  C      -4.166755      5.447492      7.045779
  O      -5.065831      5.348815      5.923262
  C      -4.570288      5.688516      4.715788
  O      -3.435190      6.124298      4.538790
  C      -5.581741      5.487425      3.623838
  N      -6.799128      5.106024      4.009579
  C      -7.727056      4.914067      3.050076
  N      -7.578544      5.079359      1.744447
  C      -6.343807      5.478986      1.323108
  C      -6.139842      5.668771     -0.066148
  C      -4.904574      6.052558     -0.541831
  C      -3.832244      6.258875      0.354647
  C      -3.999099      6.091946      1.715556
  C      -5.258627      5.698491      2.242616
  C      -2.062572     -0.885995      4.196345
  C      -2.160019     -1.418723      2.748784
  O      -2.777774     -0.498895      1.823580
  C      -4.053287     -0.134195      2.107884
  O      -4.682311     -0.602408      3.038679
  C      -4.621194      0.878503      1.145999
  N      -5.882682      1.203412      1.441101
  C      -6.537687      2.029364      0.604491
  N      -6.089970      2.537653     -0.534984
  C      -4.788529      2.265267     -0.838741
  C      -4.253017      2.833357     -2.021783
  C      -2.929335      2.638800     -2.355442
  C      -2.097695      1.867261     -1.514886
  C      -2.594295      1.280094     -0.366016
  C      -3.955976      1.445549      0.004862
  C      -4.148037     -0.311800      7.359630
  C      -4.957000      0.206804      8.545742
  O      -5.639321      1.442397      8.219983
  C      -6.880243      1.309281      7.694047
  O      -7.420438      0.233615      7.488633
  C      -7.536787      2.645969      7.470105
  N      -7.082903      3.657541      8.205483
  C      -7.731453      4.841276      8.093931
  N      -8.781443      5.117480      7.345394
  C      -9.245336      4.099271      6.561515
  C     -10.354269      4.348916      5.716575
  C     -10.832183      3.352511      4.891608
  C     -10.215586      2.079358      4.877401
  C      -9.142696      1.800975      5.699049
  C      -8.638631      2.798834      6.572176
  H      -3.014126      4.204208      8.340271
  H      -4.370376      3.371529      7.555664
  H      -3.395038      6.199541      6.833945
  H      -4.790340      5.773627      7.888229
  H      -8.711251      4.588862      3.399657
  H      -6.983402      5.482498     -0.730142
  H      -4.748998      6.189944     -1.613060
  H      -2.857155      6.560966     -0.032048
  H      -3.175966      6.276881      2.400124
  H      -3.006284     -1.099750      4.708984
  H      -1.271343     -1.485068      4.693695
  H      -2.721584     -2.365438      2.748963
  H      -1.166795     -1.590251      2.314254
  H      -7.553721      2.305063      0.903679
  H      -4.924325      3.430414     -2.640280
  H      -2.519563      3.084229     -3.263655
  H      -1.047987      1.725737     -1.778618
  H      -1.940618      0.679726      0.259566
  H      -4.815771     -0.402811      6.492301
  H      -3.815814     -1.337413      7.614853
  H      -5.698597     -0.542602      8.854414
  H      -4.306975      0.463265      9.393141
  H      -7.337319      5.654217      8.712725
  H     -10.795137      5.346333      5.734048
  H     -11.681165      3.547980      4.234021
  H     -10.590719      1.308370      4.202468
  H      -8.668478      0.823014      5.681014
  N      -2.698992      3.105384      3.487813
  H      -2.060795      2.745004      2.774246
  H      -2.494771      4.100776      3.619730
  H      -3.632183      3.067364      3.069077
  N      -4.745325      1.798158      5.088725
  N      -5.872865      1.908386      4.943752
101
Coordinates from ORCA-job orca E -6762.572214473424
  N      -2.648517      3.559754      6.368417
  Mo     -2.822790      1.767272      5.514077
  N      -2.992992      0.529721      7.028972
  C      -1.792680      0.205474      7.798469
  C      -0.825770      1.371755      7.728603
  N      -0.669217      1.859112      6.326078
  C      -0.193822      3.270469      6.338734
  C      -1.386167      4.247834      6.177269
  C       0.203144      0.961571      5.518577
  C      -0.404391      0.871083      4.119341
  N      -1.808905      0.527269      4.267552
  H      -1.344215      4.701371      5.172323
  H      -1.283837      5.089610      6.882729
  H       0.529488      3.412108      5.525000
  H       0.341337      3.453814      7.284535
  H       0.140786      0.132715      3.505004
  H      -0.295513      1.846971      3.613787
  H       0.187684     -0.035646      5.980857
  H       1.246582      1.320504      5.521665
  H      -2.024088      0.016435      8.863769
  H      -1.328416     -0.729565      7.420577
  H      -1.251435      2.207407      8.300265
  H       0.159462      1.118606      8.160536
  C      -3.532840      4.087241      7.386348
  C      -4.142530      5.453276      7.049468
  O      -5.042719      5.353192      5.927970
  C      -4.548126      5.685622      4.718554
  O      -3.412226      6.119064      4.538741
  C      -5.560445      5.477068      3.628841
  N      -6.774472      5.084615      4.016394
  C      -7.702009      4.883552      3.059268
  N      -7.558189      5.050396      1.753039
  C      -6.328709      5.462864      1.329790
  C      -6.129935      5.659377     -0.059202
  C      -4.899481      6.056617     -0.536635
  C      -3.826310      6.269457      0.357230
  C      -3.988144      6.096451      1.718170
  C      -5.243052      5.690995      2.246645
  C      -2.106836     -0.887193      4.195172
  C      -2.200737     -1.420956      2.748798
  O      -2.812114     -0.497639      1.821190
  C      -4.094830     -0.144328      2.092031
  O      -4.733437     -0.625660      3.008426
  C      -4.656174      0.876946      1.131906
  N      -5.926964      1.180841      1.402342
  C      -6.574532      2.008214      0.560361
  N      -6.109521      2.530974     -0.565571
  C      -4.798708      2.278855     -0.843837
  C      -4.245154      2.861794     -2.011365
  C      -2.910991      2.691578     -2.314015
  C      -2.085694      1.931041     -1.457162
  C      -2.599658      1.327924     -0.324465
  C      -3.973273      1.466188      0.012833
  C      -4.139945     -0.295476      7.385415
  C      -4.948140      0.239458      8.565123
  O      -5.634804      1.468081      8.222521
  C      -6.875503      1.322476      7.698066
  O      -7.411381      0.242363      7.507693
  C      -7.536188      2.654094      7.452003
  N      -7.081457      3.680410      8.165234
  C      -7.734335      4.859755      8.035825
  N      -8.792464      5.117848      7.291783
  C      -9.257318      4.083416      6.529844
  C     -10.373365      4.312701      5.688174
  C     -10.850946      3.300863      4.882156
  C     -10.227178      2.030916      4.884404
  C      -9.147986      1.772172      5.704233
  C      -8.644005      2.786584      6.558136
  H      -2.994342      4.213961      8.349831
  H      -4.351077      3.378231      7.566626
  H      -3.368091      6.201268      6.833871
  H      -4.764697      5.783513      7.891562
  H      -8.681870      4.548845      3.411390
  H      -6.973249      5.467746     -0.721892
  H      -4.748460      6.199839     -1.607753
  H      -2.854938      6.581193     -0.031120
  H      -3.164990      6.284835      2.401643
  H      -3.059160     -1.081290      4.700042
  H      -1.332969     -1.503163      4.699777
  H      -2.763685     -2.366602      2.746260
  H      -1.205972     -1.592292      2.317546
  H      -7.599076      2.269898      0.841397
  H      -4.910802      3.451153     -2.643098
  H      -2.487710      3.149078     -3.209958
  H      -1.027303      1.810703     -1.695357
  H      -1.950492      0.736082      0.313676
  H      -4.808267     -0.398628      6.519850
  H      -3.807742     -1.317507      7.654094
  H      -5.686418     -0.507901      8.886504
  H      -4.296881      0.510898      9.406840
  H      -7.337120      5.685954      8.634647
  H     -10.819129      5.308119      5.692393
  H     -11.704849      3.481131      4.226668
  H     -10.601313      1.246919      4.224138
  H      -8.668007      0.796932      5.698663
  N      -2.697160      3.105768      3.498182
  H      -2.057781      2.747709      2.784456
  H      -2.492255      4.100467      3.634854
  H      -3.629595      3.069980      3.077979
  N      -4.743011      1.800045      5.098708
  N      -5.869523      1.899586      4.936066
101
Coordinates from ORCA-job orca E -6762.573094081135
  N      -2.630802      3.559022      6.379599
  Mo     -2.821038      1.770174      5.521476
  N      -2.987421      0.540463      7.042887
  C      -1.783757      0.219826      7.810763
  C      -0.809635      1.379915      7.720204
  N      -0.663415      1.850604      6.310622
  C      -0.176901      3.257213      6.300519
  C      -1.367655      4.245038      6.187412
  C       0.195106      0.937998      5.505835
  C      -0.421033      0.842808      4.110335
  N      -1.828246      0.518892      4.268123
  H      -1.339480      4.729043      5.195716
  H      -1.250188      5.064722      6.916443
  H       0.511559      3.390376      5.456026
  H       0.401451      3.438017      7.221618
  H       0.113319      0.093608      3.499821
  H      -0.301523      1.813714      3.597026
  H       0.171737     -0.055544      5.975548
  H       1.242563      1.285407      5.499809
  H      -2.010270      0.045659      8.879482
  H      -1.328254     -0.722409      7.440552
  H      -1.224309      2.224726      8.286350
  H       0.177673      1.124861      8.146006
  C      -3.515102      4.093133      7.394713
  C      -4.121296      5.459668      7.052374
  O      -5.022675      5.358803      5.932285
  C      -4.531209      5.686113      4.721007
  O      -3.396018      6.121050      4.537818
  C      -5.544766      5.468555      3.634258
  N      -6.754411      5.064287      4.024603
  C      -7.682194      4.854333      3.070288
  N      -7.544622      5.023903      1.763555
  C      -6.320886      5.449304      1.337165
  C      -6.128522      5.652306     -0.051759
  C      -4.903090      6.061809     -0.532024
  C      -3.828238      6.279885      0.358121
  C      -3.983903      6.101485      1.719335
  C      -5.234037      5.685383      2.250674
  C      -2.151854     -0.889611      4.194240
  C      -2.242992     -1.424693      2.748771
  O      -2.846172     -0.497340      1.818788
  C      -4.134965     -0.153701      2.076864
  O      -4.784783     -0.647173      2.978199
  C      -4.686936      0.875853      1.117553
  N      -5.965731      1.161674      1.363026
  C      -6.604411      1.990959      0.515098
  N      -6.121469      2.524789     -0.597577
  C      -4.802303      2.291220     -0.849339
  C      -4.230418      2.888104     -2.001004
  C      -2.886820      2.741377     -2.271194
  C      -2.069433      1.992009     -1.396883
  C      -2.600907      1.373815     -0.280757
  C      -3.985228      1.485540      0.021379
  C      -4.133132     -0.280984      7.412826
  C      -4.938961      0.269444      8.587018
  O      -5.629483      1.491414      8.228815
  C      -6.869271      1.333882      7.704340
  O      -7.400494      0.249447      7.527886
  C      -7.532698      2.660169      7.435962
  N      -7.076701      3.699929      8.128344
  C      -7.732066      4.875626      7.979947
  N      -8.795678      5.117607      7.238164
  C      -9.262017      4.068663      6.497429
  C     -10.383010      4.279969      5.657377
  C     -10.860868      3.253737      4.870272
  C     -10.232875      1.985958      4.890245
  C      -9.149155      1.744395      5.709500
  C      -8.644814      2.774236      6.544527
  H      -2.976896      4.224649      8.357650
  H      -4.333843      3.385220      7.576473
  H      -3.345453      6.205181      6.833580
  H      -4.742250      5.793058      7.894259
  H      -8.657230      4.509292      3.425787
  H      -6.972219      5.455717     -0.712442
  H      -4.757408      6.210549     -1.603133
  H      -2.860813      6.599923     -0.033281
  H      -3.159585      6.292367      2.400565
  H      -3.112154     -1.064091      4.691393
  H      -1.395318     -1.521644      4.705729
  H      -2.809251     -2.368102      2.744568
  H      -1.246903     -1.598289      2.321290
  H      -7.636077      2.242242      0.777921
  H      -4.889193      3.470477     -2.646197
  H      -2.449840      3.210472     -3.154483
  H      -1.003255      1.892451     -1.608349
  H      -1.957682      0.790418      0.371118
  H      -4.803861     -0.395293      6.550508
  H      -3.799726     -1.299361      7.693119
  H      -5.674390     -0.474837      8.921951
  H      -4.285516      0.555136      9.422295
  H      -7.332750      5.714081      8.559964
  H     -10.831411      5.274194      5.647474
  H     -11.718190      3.420598      4.215706
  H     -10.606851      1.189973      4.244465
  H      -8.665836      0.770921      5.717155
  N      -2.695019      3.105447      3.507207
  H      -2.055263      2.750888      2.792077
  H      -2.491105      4.100084      3.646844
  H      -3.627246      3.069962      3.086652
  N      -4.739654      1.799776      5.104906
  N      -5.865713      1.890222      4.930317
101
Coordinates from ORCA-job orca E -6762.573947746275
  N      -2.616751      3.558328      6.390269
  Mo     -2.820175      1.771015      5.527144
  N      -2.983697      0.547645      7.055630
  C      -1.777144      0.232569      7.823082
  C      -0.797273      1.387505      7.713608
  N      -0.660049      1.842184      6.297894
  C      -0.164926      3.244286      6.264571
  C      -1.352475      4.241566      6.199923
  C       0.186841      0.915915      5.496946
  C      -0.435043      0.816148      4.103812
  N      -1.845101      0.511252      4.267593
  H      -1.334932      4.757170      5.223337
  H      -1.219766      5.037262      6.952985
  H       0.486861      3.368781      5.390330
  H       0.455302      3.423981      7.158658
  H       0.090538      0.056558      3.498725
  H      -0.304804      1.781818      3.582727
  H       0.155483     -0.074155      5.973397
  H       1.237852      1.252701      5.483929
  H      -2.000345      0.073311      8.894640
  H      -1.328002     -0.715829      7.461263
  H      -1.202311      2.240630      8.274174
  H       0.191821      1.131088      8.134219
  C      -3.501980      4.098926      7.401127
  C      -4.101595      5.467172      7.052708
  O      -5.003108      5.365177      5.933041
  C      -4.513894      5.685038      4.719875
  O      -3.379139      6.120011      4.532441
  C      -5.529099      5.458317      3.635775
  N      -6.732686      5.040055      4.029139
  C      -7.660804      4.819921      3.077275
  N      -7.529909      4.992821      1.770485
  C      -6.312750      5.433149      1.340600
  C      -6.127780      5.642414     -0.048349
  C      -4.908493      6.066379     -0.531635
  C      -3.832659      6.292835      0.354812
  C      -3.981345      6.109266      1.716292
  C      -5.225396      5.679316      2.250940
  C      -2.192562     -0.891446      4.191633
  C      -2.281169     -1.427051      2.746715
  O      -2.878598     -0.496129      1.816161
  C      -4.172261     -0.161444      2.061488
  O      -4.832024     -0.666749      2.948452
  C      -4.714533      0.874725      1.103081
  N      -6.001493      1.141502      1.322304
  C      -6.631379      1.972906      0.469023
  N      -6.130457      2.518774     -0.629025
  C      -4.803518      2.304009     -0.853751
  C      -4.214922      2.915046     -1.989579
  C      -2.863159      2.792152     -2.227894
  C      -2.053844      2.053691     -1.336802
  C      -2.601144      1.420106     -0.237321
  C      -3.994424      1.505130      0.030538
  C      -4.127633     -0.270473      7.437867
  C      -4.930948      0.294162      8.606855
  O      -5.624469      1.510030      8.233600
  C      -6.864162      1.343021      7.710843
  O      -7.392960      0.254984      7.549739
  C      -7.528096      2.664434      7.421901
  N      -7.065905      3.716233      8.092018
  C      -7.721328      4.889593      7.925569
  N      -8.790610      5.118149      7.187783
  C      -9.262991      4.056500      6.469677
  C     -10.389256      4.253050      5.632972
  C     -10.871247      3.213569      4.866217
  C     -10.242978      1.946461      4.903733
  C      -9.154370      1.718730      5.720814
  C      -8.645828      2.762702      6.535353
  H      -2.965640      4.233120      8.364812
  H      -4.323739      3.394682      7.583330
  H      -3.323495      6.209297      6.830538
  H      -4.721647      5.806804      7.892873
  H      -8.630221      4.462487      3.435979
  H      -6.971590      5.438871     -0.706820
  H      -4.768411      6.220409     -1.602755
  H      -2.870264      6.623326     -0.040261
  H      -3.156061      6.305222      2.394922
  H      -3.160302     -1.047300      4.680876
  H      -1.452982     -1.537902      4.710185
  H      -2.850063     -2.368731      2.742001
  H      -1.284132     -1.602565      2.322083
  H      -7.670654      2.211817      0.712154
  H      -4.867479      3.490145     -2.647408
  H      -2.413660      3.272904     -3.098548
  H      -0.981100      1.974827     -1.522164
  H      -1.964165      0.844483      0.427635
  H      -4.801310     -0.394444      6.579110
  H      -3.792260     -1.285372      7.727904
  H      -5.664430     -0.445787      8.955478
  H      -4.275233      0.593274      9.435693
  H      -7.317262      5.739270      8.485590
  H     -10.837332      5.247208      5.608928
  H     -11.732320      3.369489      4.213841
  H     -10.620298      1.139781      4.273386
  H      -8.671006      0.745530      5.741459
  N      -2.691645      3.106862      3.515992
  H      -2.049970      2.755264      2.801058
  H      -2.488243      4.101221      3.658842
  H      -3.622593      3.072367      3.092332
  N      -4.736426      1.797439      5.109688
  N      -5.862100      1.879252      4.925419
101
Coordinates from ORCA-job orca E -6762.574785194220
  N      -2.604514      3.556789      6.397244
  Mo     -2.820319      1.769427      5.531573
  N      -2.980862      0.553502      7.067765
  C      -1.770607      0.246009      7.833898
  C      -0.785998      1.396019      7.704881
  N      -0.658182      1.833839      6.283438
  C      -0.156507      3.231718      6.225415
  C      -1.338990      4.237410      6.209552
  C       0.177786      0.894373      5.486674
  C      -0.450879      0.788261      4.096839
  N      -1.863569      0.500432      4.267043
  H      -1.330769      4.783936      5.249220
  H      -1.191740      5.008176      6.985984
  H       0.456039      3.346840      5.321964
  H       0.504429      3.411853      7.090043
  H       0.065892      0.018531      3.497089
  H      -0.312639      1.747988      3.566555
  H       0.140033     -0.091574      5.971094
  H       1.231536      1.222356      5.466448
  H      -1.990045      0.102052      8.908321
  H      -1.326634     -0.708332      7.481570
  H      -1.181695      2.257287      8.259610
  H       0.205134      1.138644      8.120051
  C      -3.491340      4.104318      7.402288
  C      -4.086239      5.473668      7.048395
  O      -4.989078      5.369357      5.930472
  C      -4.502351      5.683298      4.715326
  O      -3.368816      6.120189      4.523751
  C      -5.518156      5.448079      3.633589
  N      -6.715219      5.014920      4.029061
  C      -7.643675      4.786935      3.078806
  N      -7.519299      4.967833      1.772631
  C      -6.308486      5.424045      1.340643
  C      -6.130877      5.643689     -0.047681
  C      -4.917457      6.082289     -0.532646
  C      -3.840353      6.312894      0.351106
  C      -3.982380      6.120328      1.711967
  C      -5.220640      5.676467      2.248651
  C      -2.233884     -0.896310      4.188929
  C      -2.320667     -1.432486      2.744450
  O      -2.912890     -0.498376      1.814127
  C      -4.209410     -0.171073      2.048065
  O      -4.880412     -0.687696      2.919984
  C      -4.740566      0.871843      1.090481
  N      -6.034926      1.121586      1.281817
  C      -6.654259      1.954073      0.421160
  N      -6.134544      2.510415     -0.662110
  C      -4.800084      2.313972     -0.856558
  C      -4.192872      2.939045     -1.974853
  C      -2.833538      2.839463     -2.178103
  C      -2.035211      2.111639     -1.268324
  C      -2.600136      1.463135     -0.186819
  C      -4.001359      1.522126      0.043358
  C      -4.122400     -0.260664      7.464264
  C      -4.921387      0.316977      8.629683
  O      -5.617915      1.526740      8.243571
  C      -6.856960      1.350691      7.721995
  O      -7.383204      0.259012      7.576130
  C      -7.520851      2.666845      7.413071
  N      -7.054528      3.729668      8.063324
  C      -7.709524      4.900635      7.879156
  N      -8.781953      5.117204      7.142657
  C      -9.258610      4.044308      6.444775
  C     -10.388050      4.227969      5.609447
  C     -10.873166      3.176421      4.861360
  C     -10.245397      1.909963      4.916846
  C      -9.153738      1.694494      5.733426
  C      -8.642090      2.751055      6.529267
  H      -2.955780      4.241630      8.366145
  H      -4.316245      3.404298      7.586340
  H      -3.306324      6.212901      6.822483
  H      -4.704426      5.819390      7.887378
  H      -8.607334      4.415095      3.438910
  H      -6.974871      5.435824     -0.704595
  H      -4.782866      6.244528     -1.603257
  H      -2.882547      6.653837     -0.046227
  H      -3.156242      6.318695      2.388903
  H      -3.208549     -1.034365      4.670100
  H      -1.510564     -1.555496      4.714604
  H      -2.893716     -2.371589      2.739012
  H      -1.323261     -1.612005      2.322503
  H      -7.700751      2.181688      0.643299
  H      -4.837290      3.507352     -2.646408
  H      -2.369793      3.331676     -3.034752
  H      -0.956601      2.053211     -1.425003
  H      -1.971572      0.895305      0.492985
  H      -4.800434     -0.394020      6.610232
  H      -3.784469     -1.272002      7.763600
  H      -5.652430     -0.418715      8.992358
  H      -4.262156      0.627874      9.451465
  H      -7.302578      5.759997      8.422043
  H     -10.835310      5.222051      5.571146
  H     -11.736592      3.322426      4.209764
  H     -10.625426      1.093612      4.300722
  H      -8.671040      0.721328      5.767551
  N      -2.688606      3.107958      3.523047
  H      -2.046064      2.760091      2.807098
  H      -2.487118      4.102583      3.667740
  H      -3.619092      3.072744      3.098113
  N      -4.733313      1.791281      5.111888
  N      -5.859678      1.866438      4.925105
101
Coordinates from ORCA-job orca E -6762.575615474530
  N      -2.594456      3.554652      6.402767
  Mo     -2.820092      1.766555      5.533616
  N      -2.978274      0.557835      7.077857
  C      -1.765551      0.258619      7.844028
  C      -0.777049      1.403768      7.697035
  N      -0.657038      1.824722      6.270583
  C      -0.151083      3.218244      6.187236
  C      -1.326888      4.232016      6.220424
  C       0.169553      0.873416      5.478679
  C      -0.462935      0.762183      4.090842
  N      -1.878319      0.490834      4.264404
  H      -1.325627      4.810181      5.278196
  H      -1.164758      4.975344      7.020786
  H       0.419612      3.323864      5.255530
  H       0.549712      3.399420      7.020096
  H       0.045867     -0.017639      3.497369
  H      -0.315648      1.715714      3.551579
  H       0.124738     -0.108644      5.970210
  H       1.225815      1.193297      5.453874
  H      -1.982514      0.129909      8.920912
  H      -1.324662     -0.701268      7.502960
  H      -1.164448      2.272731      8.245523
  H       0.215679      1.145664      8.108115
  C      -3.482629      4.109022      7.401616
  C      -4.069504      5.480876      7.043186
  O      -4.973413      5.375425      5.926030
  C      -4.487665      5.682114      4.709134
  O      -3.354757      6.118849      4.513393
  C      -5.504079      5.437755      3.629066
  N      -6.693205      4.987682      4.027233
  C      -7.621960      4.748555      3.079040
  N      -7.504402      4.935607      1.773561
  C      -6.301107      5.409509      1.338712
  C      -6.132064      5.636536     -0.049445
  C      -4.926184      6.092125     -0.537245
  C      -3.848497      6.332789      0.343408
  C      -3.982650      6.133508      1.703851
  C      -5.213377      5.672749      2.243814
  C      -2.269767     -0.900032      4.184857
  C      -2.356252     -1.436901      2.741205
  O      -2.946594     -0.500601      1.812362
  C      -4.244917     -0.178548      2.035365
  O      -4.924361     -0.704844      2.894284
  C      -4.766135      0.870518      1.079450
  N      -6.067384      1.102699      1.242208
  C      -6.676041      1.937342      0.375619
  N      -6.138309      2.506966     -0.691404
  C      -4.797316      2.327849     -0.855970
  C      -4.172700      2.966640     -1.956781
  C      -2.807317      2.889121     -2.126210
  C      -2.020564      2.170625     -1.198918
  C      -2.602017      1.507163     -0.135531
  C      -4.009430      1.541444      0.058264
  C      -4.117898     -0.251997      7.486746
  C      -4.913353      0.337499      8.648720
  O      -5.612921      1.541248      8.250321
  C      -6.852568      1.357961      7.732532
  O      -7.378497      0.263639      7.603523
  C      -7.515713      2.669231      7.405367
  N      -7.043457      3.742189      8.034873
  C      -7.697448      4.910962      7.834216
  N      -8.773656      5.116729      7.100257
  C      -9.256020      4.033394      6.422893
  C     -10.388653      4.205446      5.589474
  C     -10.878079      3.142527      4.860214
  C     -10.252042      1.876374      4.933674
  C      -9.157417      1.672066      5.749381
  C      -8.641258      2.740482      6.525889
  H      -2.949053      4.245899      8.367008
  H      -4.313142      3.415607      7.585540
  H      -3.286024      6.215438      6.814071
  H      -4.685508      5.834591      7.880426
  H      -8.578780      4.361138      3.440990
  H      -6.975848      5.420395     -0.704048
  H      -4.797742      6.260290     -1.607704
  H      -2.896577      6.686444     -0.056945
  H      -3.156065      6.338204      2.378352
  H      -3.250322     -1.021034      4.659298
  H      -1.561584     -1.570159      4.717408
  H      -2.932269     -2.374263      2.736349
  H      -1.359248     -1.619618      2.319832
  H      -7.729793      2.151166      0.575957
  H      -4.809346      3.528082     -2.641434
  H      -2.330046      3.392360     -2.968889
  H      -0.937422      2.131282     -1.327921
  H      -1.982261      0.945774      0.557742
  H      -4.799634     -0.393501      6.636828
  H      -3.778110     -1.260194      7.794615
  H      -5.642065     -0.393987      9.024423
  H      -4.251169      0.659252      9.464022
  H      -7.286156      5.779109      8.359549
  H     -10.834357      5.199563      5.536802
  H     -11.743826      3.279561      4.209725
  H     -10.635761      1.051028      4.331942
  H      -8.676345      0.698642      5.797089
  N      -2.683389      3.111251      3.529581
  H      -2.038688      2.764847      2.814752
  H      -2.481571      4.105403      3.677125
  H      -3.612226      3.077564      3.100901
  N      -4.731054      1.785575      5.114493
  N      -5.857714      1.854728      4.924763
101
Coordinates from ORCA-job orca E -6762.576444557076
  N      -2.584852      3.551249      6.404550
  Mo     -2.819420      1.762074      5.534213
  N      -2.975619      0.562787      7.086886
  C      -1.760384      0.271873      7.852739
  C      -0.767770      1.411428      7.687461
  N      -0.656230      1.815028      6.256186
  C      -0.147679      3.204157      6.146499
  C      -1.314603      4.225428      6.229778
  C       0.161313      0.852232      5.469178
  C      -0.475512      0.734438      4.084099
  N      -1.893249      0.478443      4.261759
  H      -1.319300      4.836593      5.308063
  H      -1.138070      4.938036      7.055044
  H       0.378399      3.299936      5.187744
  H       0.592490      3.386169      6.944991
  H       0.024798     -0.055594      3.496919
  H      -0.320564      1.681053      3.534681
  H       0.110486     -0.125403      5.968731
  H       1.219655      1.165118      5.439719
  H      -1.974321      0.158332      8.932016
  H      -1.322674     -0.693743      7.523716
  H      -1.146356      2.288039      8.229727
  H       0.226475      1.152061      8.094305
  C      -3.474610      4.112453      7.396794
  C      -4.055120      5.486132      7.034389
  O      -4.961088      5.379526      5.918827
  C      -4.476793      5.680253      4.700134
  O      -3.344574      6.116825      4.500108
  C      -5.494327      5.428805      3.622290
  N      -6.675545      4.961910      4.023046
  C      -7.605710      4.715557      3.077335
  N      -7.496401      4.913609      1.773072
  C      -6.300775      5.405273      1.335904
  C      -6.141794      5.644938     -0.051289
  C      -4.943514      6.117427     -0.541615
  C      -3.863559      6.362465      0.335586
  C      -3.988489      6.151324      1.694741
  C      -5.211623      5.674049      2.237502
  C      -2.305030     -0.906488      4.182109
  C      -2.392427     -1.445297      2.739870
  O      -2.979838     -0.506980      1.812029
  C      -4.279067     -0.187623      2.025630
  O      -4.967897     -0.721242      2.872160
  C      -4.789280      0.867998      1.070453
  N      -6.095720      1.086459      1.204298
  C      -6.691346      1.923193      0.330329
  N      -6.135057      2.503704     -0.721069
  C      -4.788638      2.338811     -0.854483
  C      -4.144503      2.989307     -1.937014
  C      -2.774335      2.929660     -2.071439
  C      -2.002510      2.218213     -1.126120
  C      -2.602579      1.542119     -0.081325
  C      -4.014909      1.556444      0.075033
  C      -4.113433     -0.241804      7.509386
  C      -4.903908      0.358765      8.669359
  O      -5.606762      1.556606      8.261060
  C      -6.846822      1.365674      7.747232
  O      -7.372038      0.268970      7.634792
  C      -7.509936      2.671667      7.402010
  N      -7.036102      3.754174      8.013860
  C      -7.690060      4.919860      7.797125
  N      -8.767903      5.114883      7.062645
  C      -9.252028      4.021592      6.402688
  C     -10.385832      4.181902      5.568614
  C     -10.876684      3.108309      4.855824
  C     -10.251097      1.843275      4.947513
  C      -9.155330      1.650629      5.764531
  C      -8.637432      2.730153      6.524043
  H      -2.942654      4.249450      8.363449
  H      -4.310021      3.424976      7.580802
  H      -3.268325      6.216304      6.802303
  H      -4.668478      5.846493      7.870663
  H      -8.555165      4.311704      3.440596
  H      -6.986435      5.424381     -0.703329
  H      -4.822507      6.295405     -1.611349
  H      -2.917365      6.728684     -0.067020
  H      -3.160587      6.358117      2.366945
  H      -3.290494     -1.010850      4.650945
  H      -1.610936     -1.586077      4.721269
  H      -2.972792     -2.380055      2.735664
  H      -1.396319     -1.633138      2.318840
  H      -7.751004      2.126343      0.508806
  H      -4.770780      3.545696     -2.635242
  H      -2.281750      3.442231     -2.899520
  H      -0.915899      2.194494     -1.226615
  H      -1.994062      0.985247      0.625486
  H      -4.799575     -0.390938      6.664211
  H      -3.772304     -1.247064      7.825524
  H      -5.629528     -0.369389      9.057450
  H      -4.237985      0.689682      9.477985
  H      -7.277174      5.795733      8.308130
  H     -10.831192      5.175284      5.501616
  H     -11.743299      3.236053      4.204615
  H     -10.636116      1.009290      4.358621
  H      -8.674780      0.677706      5.826298
  N      -2.676541      3.113900      3.533927
  H      -2.030714      2.768553      2.819491
  H      -2.474886      4.107824      3.683271
  H      -3.604432      3.080897      3.103297
  N      -4.728833      1.778358      5.115230
  N      -5.856688      1.843637      4.928167
101
Coordinates from ORCA-job orca E -6762.577277595685
  N      -2.576250      3.547332      6.405045
  Mo     -2.816644      1.757106      5.533360
  N      -2.972142      0.567573      7.094329
  C      -1.755915      0.284628      7.861512
  C      -0.759642      1.418729      7.679666
  N      -0.655381      1.805310      6.243920
  C      -0.145607      3.190296      6.109629
  C      -1.302136      4.217935      6.241702
  C       0.154493      0.831674      5.462484
  C      -0.484220      0.707370      4.078986
  N      -1.904542      0.466555      4.258167
  H      -1.309970      4.864397      5.343759
  H      -1.112419      4.896099      7.092989
  H       0.337441      3.277348      5.127581
  H       0.630714      3.371519      6.873815
  H       0.008199     -0.093129      3.499332
  H      -0.320122      1.646455      3.519200
  H       0.097181     -0.141516      5.969808
  H       1.214828      1.137979      5.430379
  H      -1.967788      0.185669      8.942771
  H      -1.320045     -0.686415      7.545837
  H      -1.130675      2.302563      8.215207
  H       0.235703      1.158623      8.083538
  C      -3.468270      4.114730      7.390374
  C      -4.040961      5.490490      7.023309
  O      -4.949061      5.383021      5.908952
  C      -4.465352      5.676318      4.688466
  O      -3.333187      6.110723      4.484040
  C      -5.484378      5.417993      3.612763
  N      -6.657287      4.933670      4.016073
  C      -7.588217      4.678318      3.072912
  N      -7.486864      4.885250      1.769667
  C      -6.299780      5.395582      1.330274
  C      -6.150847      5.645900     -0.056132
  C      -4.961432      6.137615     -0.548948
  C      -3.880452      6.391599      0.325055
  C      -3.995894      6.169710      1.683010
  C      -5.210129      5.673176      2.228395
  C      -2.335186     -0.912620      4.178486
  C      -2.423054     -1.453104      2.737746
  O      -3.008179     -0.512700      1.811131
  C      -4.308912     -0.196376      2.015494
  O      -5.005708     -0.736365      2.851014
  C      -4.810497      0.865239      1.061403
  N      -6.121465      1.068513      1.166899
  C      -6.705340      1.907929      0.287331
  N      -6.132234      2.502335     -0.747288
  C      -4.781324      2.351945     -0.851092
  C      -4.119298      3.015326     -1.914888
  C      -2.745737      2.972739     -2.016344
  C      -1.988391      2.265908     -1.055736
  C      -2.605415      1.576122     -0.030098
  C      -4.021241      1.571847      0.091201
  C      -4.109109     -0.231916      7.527216
  C      -4.895837      0.377965      8.685360
  O      -5.602047      1.570475      8.268795
  C      -6.843408      1.373592      7.760791
  O      -7.369669      0.275784      7.664243
  C      -7.506291      2.675346      7.400259
  N      -7.030422      3.765696      7.995994
  C      -7.683927      4.928816      7.765903
  N      -8.763697      5.115063      7.031807
  C      -9.250067      4.013218      6.387526
  C     -10.385186      4.163672      5.553490
  C     -10.878243      3.081185      4.855517
  C     -10.253730      1.816893      4.963195
  C      -9.156817      1.634182      5.780835
  C      -8.636131      2.723170      6.524712
  H      -2.939953      4.250702      8.359531
  H      -4.309075      3.433269      7.572348
  H      -3.249955      6.215045      6.787810
  H      -4.651758      5.858343      7.858159
  H      -8.530015      4.258475      3.437556
  H      -6.995606      5.418158     -0.705568
  H      -4.847939      6.324130     -1.618057
  H      -2.940967      6.772715     -0.079404
  H      -3.167555      6.381749      2.353077
  H      -3.324952     -1.001605      4.642033
  H      -1.654626     -1.600653      4.724247
  H      -3.006582     -2.385979      2.733527
  H      -1.427725     -1.644776      2.316697
  H      -7.770635      2.098494      0.444320
  H      -4.735705      3.567610     -2.625050
  H      -2.239031      3.495366     -2.829454
  H      -0.899417      2.256792     -1.129397
  H      -2.007621      1.021988      0.687916
  H      -4.798333     -0.387161      6.685562
  H      -3.768081     -1.234963      7.850712
  H      -5.618381     -0.347953      9.083294
  H      -4.227104      0.716651      9.488440
  H      -7.268580      5.810770      8.264227
  H     -10.830035      5.156328      5.473840
  H     -11.745763      3.201170      4.204076
  H     -10.640615      0.975569      4.386058
  H      -8.677109      0.661703      5.855208
  N      -2.665573      3.117366      3.537460
  H      -2.017077      2.771899      2.825439
  H      -2.462973      4.110520      3.689937
  H      -3.591555      3.086422      3.102823
  N      -4.726168      1.771861      5.116121
  N      -5.854952      1.834065      4.931880
101
Coordinates from ORCA-job orca E -6762.578125389769
  N      -2.569118      3.542520      6.402948
  Mo     -2.813275      1.751541      5.530751
  N      -2.968059      0.572885      7.100323
  C      -1.751478      0.297652      7.869178
  C      -0.751398      1.426054      7.671118
  N      -0.654666      1.795929      6.230914
  C      -0.145680      3.177542      6.072731
  C      -1.290420      4.209380      6.254298
  C       0.148018      0.811767      5.454959
  C      -0.492548      0.679272      4.073108
  N      -1.915273      0.453274      4.254100
  H      -1.299918      4.893420      5.383966
  H      -1.089178      4.848995      7.132772
  H       0.294203      3.257640      5.069936
  H       0.664698      3.356892      6.801691
  H      -0.008220     -0.132148      3.501884
  H      -0.319438      1.609783      3.501730
  H       0.084949     -0.156537      5.970719
  H       1.210125      1.112113      5.419999
  H      -1.961135      0.212927      8.952243
  H      -1.317228     -0.678757      7.567535
  H      -1.114893      2.316941      8.199891
  H       0.244873      1.165084      8.072218
  C      -3.463970      4.115204      7.381637
  C      -4.028907      5.493075      7.010466
  O      -4.938816      5.385986      5.896788
  C      -4.455352      5.671714      4.674782
  O      -3.322490      6.102112      4.466254
  C      -5.476672      5.408566      3.601548
  N      -6.641645      4.907719      4.007413
  C      -7.573822      4.645494      3.067234
  N      -7.481291      4.862430      1.765067
  C      -6.303023      5.390840      1.323565
  C      -6.164952      5.653733     -0.061647
  C      -4.984847      6.164976     -0.556853
  C      -3.902189      6.425971      0.313501
  C      -4.007002      6.190904      1.669893
  C      -5.212008      5.675120      2.217725
  C      -2.363158     -0.920570      4.175780
  C      -2.452633     -1.464318      2.737241
  O      -3.033882     -0.522156      1.810341
  C      -4.336004     -0.206541      2.006795
  O      -5.040106     -0.750355      2.833062
  C      -4.828610      0.861112      1.052939
  N      -6.142771      1.051688      1.131094
  C      -6.714193      1.894024      0.245853
  N      -6.124553      2.501200     -0.772246
  C      -4.770316      2.363004     -0.847310
  C      -4.090076      3.038014     -1.892253
  C      -2.714348      3.009156     -1.961628
  C      -1.972659      2.304704     -0.986849
  C      -2.606904      1.602664      0.019550
  C      -4.025224      1.583601      0.106904
  C      -4.104488     -0.221303      7.542922
  C      -4.886919      0.396932      8.700213
  O      -5.596671      1.584799      8.277609
  C      -6.839644      1.382107      7.776978
  O      -7.367238      0.283870      7.695288
  C      -7.503356      2.680038      7.402967
  N      -7.029155      3.776962      7.986955
  C      -7.683288      4.937152      7.745264
  N      -8.763177      5.115239      7.009113
  C      -9.248350      4.005799      6.376426
  C     -10.383079      4.146737      5.540274
  C     -10.875499      3.056629      4.853677
  C     -10.250690      1.793627      4.975729
  C      -9.154175      1.620688      5.795731
  C      -8.633583      2.718008      6.527503
  H      -2.940537      4.249915      8.353903
  H      -4.309482      3.438686      7.560110
  H      -3.233635      6.212080      6.772482
  H      -4.637874      5.866938      7.843958
  H      -8.508001      4.210706      3.433484
  H      -7.010359      5.420221     -0.708180
  H      -4.879754      6.361640     -1.625018
  H      -2.969674      6.822320     -0.092407
  H      -3.177706      6.406517      2.337597
  H      -3.356078     -0.994997      4.635547
  H      -1.694881     -1.615708      4.727756
  H      -3.039933     -2.394874      2.733947
  H      -1.458334     -1.661060      2.316044
  H      -7.784163      2.073824      0.381542
  H      -4.695501      3.587740     -2.613731
  H      -2.193242      3.540867     -2.759587
  H      -0.882215      2.307438     -1.034467
  H      -2.020715      1.050004      0.748190
  H      -4.796720     -0.381884      6.704715
  H      -3.764530     -1.222584      7.873302
  H      -5.606147     -0.327705      9.106453
  H      -4.215220      0.742126      9.497975
  H      -7.267856      5.823944      8.234781
  H     -10.828819      5.137995      5.449213
  H     -11.742671      3.169145      4.200497
  H     -10.637121      0.945853      4.407813
  H      -8.673937      0.649406      5.881716
  N      -2.653693      3.121074      3.538569
  H      -2.002314      2.775842      2.829130
  H      -2.450710      4.113406      3.695072
  H      -3.577736      3.091897      3.100053
  N      -4.724314      1.765194      5.116615
  N      -5.854365      1.825652      4.938112
101
Coordinates from ORCA-job orca E -6762.578951457180
  N      -2.565693      3.538279      6.399219
  Mo     -2.811725      1.746904      5.526753
  N      -2.963261      0.579555      7.105527
  C      -1.745511      0.313088      7.875161
  C      -0.742438      1.436583      7.659568
  N      -0.655368      1.789945      6.214552
  C      -0.149972      3.169385      6.032167
  C      -1.282786      4.201856      6.265186
  C       0.140330      0.795755      5.443560
  C      -0.503612      0.652752      4.063950
  N      -1.928218      0.440994      4.248508
  H      -1.294360      4.922330      5.424404
  H      -1.070682      4.802019      7.169272
  H       0.243506      3.244779      5.009854
  H       0.693522      3.347903      6.723171
  H      -0.027145     -0.169733      3.502088
  H      -0.322469      1.573692      3.479660
  H       0.073428     -0.167282      5.968462
  H       1.203827      1.091054      5.403806
  H      -1.951717      0.242595      8.960023
  H      -1.312752     -0.668272      7.587100
  H      -1.098582      2.334332      8.181496
  H       0.255379      1.175766      8.056761
  C      -3.463572      4.114238      7.372973
  C      -4.020918      5.494695      6.999924
  O      -4.930679      5.389787      5.885494
  C      -4.445072      5.668593      4.663403
  O      -3.310687      6.094631      4.453999
  C      -5.464778      5.397558      3.589995
  N      -6.622338      4.878862      3.994878
  C      -7.550854      4.605401      3.054541
  N      -7.462268      4.827568      1.752890
  C      -6.292612      5.375315      1.312718
  C      -6.159537      5.646178     -0.071495
  C      -4.988292      6.178888     -0.565079
  C      -3.909183      6.453396      0.305636
  C      -4.008668      6.209157      1.660829
  C      -5.205163      5.672368      2.206953
  C      -2.391130     -0.928089      4.172077
  C      -2.482455     -1.475344      2.735764
  O      -3.059694     -0.531438      1.807904
  C      -4.363577     -0.217161      1.998645
  O      -5.073163     -0.764467      2.817480
  C      -4.849311      0.856017      1.045695
  N      -6.166454      1.030494      1.097036
  C      -6.728073      1.874895      0.207036
  N      -6.123664      2.497591     -0.792932
  C      -4.766591      2.375740     -0.839495
  C      -4.070666      3.066341     -1.863903
  C      -2.693712      3.054797     -1.901309
  C      -1.965793      2.352537     -0.914281
  C      -2.614448      1.634602      0.071194
  C      -4.034308      1.597116      0.124669
  C      -4.098342     -0.210780      7.557259
  C      -4.877024      0.414994      8.713669
  O      -5.591335      1.598426      8.285930
  C      -6.836195      1.390029      7.793638
  O      -7.364835      0.291632      7.724864
  C      -7.502018      2.684606      7.409131
  N      -7.030579      3.786703      7.984731
  C      -7.685295      4.944415      7.732932
  N      -8.764050      5.115693      6.993488
  C      -9.247029      4.000119      6.369463
  C     -10.380274      4.132937      5.529983
  C     -10.870886      3.036786      4.851928
  C     -10.245758      1.774955      4.986221
  C      -9.150656      1.610292      5.809542
  C      -8.631546      2.714429      6.532378
  H      -2.945694      4.246670      8.348690
  H      -4.312754      3.441108      7.546311
  H      -3.221842      6.209161      6.761338
  H      -4.629467      5.872151      7.832111
  H      -8.477986      4.155327      3.420000
  H      -7.001731      5.402179     -0.718368
  H      -4.887346      6.382348     -1.632403
  H      -2.983300      6.866579     -0.098629
  H      -3.182028      6.432852      2.329188
  H      -3.386335     -0.989557      4.629084
  H      -1.733681     -1.629396      4.729348
  H      -3.072809     -2.403924      2.733844
  H      -1.488985     -1.676272      2.314371
  H      -7.802859      2.040549      0.320375
  H      -4.666181      3.613503     -2.595462
  H      -2.160402      3.598649     -2.682857
  H      -0.874673      2.369890     -0.936095
  H      -2.038508      1.083615      0.809286
  H      -4.793310     -0.377139      6.722478
  H      -3.758818     -1.210152      7.894163
  H      -5.592531     -0.309003      9.127558
  H      -4.202646      0.767096      9.506048
  H      -7.270800      5.835012      8.216258
  H     -10.826951      5.122818      5.429039
  H     -11.736838      3.143054      4.196117
  H     -10.630780      0.921994      4.425203
  H      -8.669648      0.640320      5.905447
  N      -2.647219      3.124559      3.537337
  H      -1.993217      2.781115      2.829610
  H      -2.444637      4.116043      3.699017
  H      -3.569664      3.096598      3.095534
  N      -4.725133      1.758312      5.118375
  N      -5.856481      1.816303      4.946533
101
Coordinates from ORCA-job orca E -6762.579662095093
  N      -2.556651      3.528921      6.392472
  Mo     -2.802729      1.735089      5.523482
  N      -2.955033      0.582861      7.114531
  C      -1.738043      0.325742      7.888219
  C      -0.730727      1.443150      7.654468
  N      -0.650189      1.776970      6.203962
  C      -0.147995      3.153897      5.996109
  C      -1.268212      4.186405      6.273985
  C       0.139681      0.770488      5.442415
  C      -0.504754      0.612753      4.063721
  N      -1.931683      0.417441      4.249167
  H      -1.277399      4.938196      5.461076
  H      -1.047052      4.750159      7.199969
  H       0.200758      3.223319      4.957250
  H       0.724831      3.333636      6.649617
  H      -0.034848     -0.222958      3.516171
  H      -0.312736      1.521519      3.463884
  H       0.067614     -0.185781      5.978761
  H       1.204817      1.059771      5.398647
  H      -1.943144      0.272414      8.974322
  H      -1.307261     -0.661292      7.616436
  H      -1.080246      2.349142      8.166323
  H       0.267750      1.183091      8.050108
  C      -3.456935      4.109774      7.361424
  C      -4.005842      5.492777      6.984593
  O      -4.921978      5.390472      5.874450
  C      -4.442707      5.657547      4.647896
  O      -3.307706      6.077137      4.428257
  C      -5.477296      5.398716      3.584669
  N      -6.627596      4.870958      3.998713
  C      -7.568567      4.607536      3.068247
  N      -7.500841      4.849282      1.768863
  C      -6.340523      5.408435      1.319656
  C      -6.230805      5.704364     -0.061484
  C      -5.070253      6.251530     -0.564037
  C      -3.978390      6.515283      0.293565
  C      -4.054316      6.245694      1.645876
  C      -5.239991      5.694755      2.201557
  C      -2.409468     -0.947047      4.177803
  C      -2.500004     -1.501803      2.744979
  O      -3.069928     -0.557665      1.811716
  C      -4.375613     -0.241378      1.993450
  O      -5.092647     -0.787737      2.806150
  C      -4.848962      0.837607      1.040416
  N      -6.166793      1.009032      1.071418
  C      -6.714415      1.863957      0.182122
  N      -6.093503      2.498013     -0.800166
  C      -4.735935      2.377249     -0.826422
  C      -4.023031      3.078460     -1.831963
  C      -2.645934      3.068604     -1.845500
  C      -1.933914      2.357584     -0.852856
  C      -2.598612      1.629017      0.113582
  C      -4.019326      1.589544      0.141554
  C      -4.090894     -0.202149      7.572523
  C      -4.869369      0.434716      8.723403
  O      -5.586376      1.613499      8.285028
  C      -6.832645      1.400716      7.799218
  O      -7.363877      0.302984      7.743054
  C      -7.498374      2.692299      7.402041
  N      -7.027478      3.799382      7.967927
  C      -7.679676      4.955606      7.701632
  N      -8.754927      5.120749      6.955797
  C      -9.237553      3.999044      6.342318
  C     -10.366616      4.124216      5.495987
  C     -10.856333      3.021493      4.828315
  C     -10.234949      1.759558      4.980089
  C      -9.143928      1.602417      5.810183
  C      -8.625474      2.714246      6.522031
  H      -2.944059      4.241232      8.340010
  H      -4.309332      3.440093      7.531612
  H      -3.203296      6.200951      6.739430
  H      -4.609444      5.877162      7.817260
  H      -8.489240      4.150570      3.441062
  H      -7.082473      5.468233     -0.698850
  H      -4.987642      6.474900     -1.628989
  H      -3.060909      6.939795     -0.118044
  H      -3.216996      6.458635      2.304497
  H      -3.407586     -0.994210      4.630421
  H      -1.764224     -1.653158      4.743421
  H      -3.093975     -2.427963      2.746253
  H      -1.506386     -1.708390      2.326349
  H      -7.790819      2.029273      0.279969
  H      -4.606346      3.632448     -2.567998
  H      -2.099620      3.620782     -2.612113
  H      -0.842608      2.376670     -0.855614
  H      -2.035069      1.070445      0.855654
  H      -4.785786     -0.375579      6.739141
  H      -3.753736     -1.199191      7.918871
  H      -5.583463     -0.286403      9.144587
  H      -4.194693      0.796026      9.511273
  H      -7.265260      5.850399      8.177235
  H     -10.811156      5.113582      5.381230
  H     -11.718914      3.122024      4.167160
  H     -10.619365      0.901000      4.427301
  H      -8.664986      0.632872      5.919688
  N      -2.629786      3.112836      3.532786
  H      -1.971117      2.769227      2.829679
  H      -2.426087      4.103126      3.699300
  H      -3.548989      3.087517      3.084022
  N      -4.718336      1.745394      5.119370
  N      -5.849788      1.800439      4.948354
101
Coordinates from ORCA-job orca E -6762.580397226126
  N      -2.556679      3.532090      6.389606
  Mo     -2.806722      1.737732      5.519675
  N      -2.952251      0.593803      7.118373
  C      -1.731083      0.344212      7.888842
  C      -0.721786      1.457305      7.637884
  N      -0.654078      1.778829      6.183947
  C      -0.157563      3.153673      5.954983
  C      -1.263873      4.183746      6.285261
  C       0.129132      0.765613      5.424805
  C      -0.522432      0.597468      4.050334
  N      -1.950154      0.413892      4.241991
  H      -1.271591      4.967323      5.502899
  H      -1.030884      4.707909      7.232066
  H       0.139604      3.221679      4.900083
  H       0.745823      3.335336      6.565644
  H      -0.058914     -0.247208      3.511228
  H      -0.325970      1.497597      3.438683
  H       0.057224     -0.186428      5.968499
  H       1.194808      1.051824      5.373085
  H      -1.930896      0.303243      8.976450
  H      -1.303617     -0.646513      7.625285
  H      -1.063106      2.368217      8.146095
  H       0.279377      1.196443      8.025876
  C      -3.459808      4.114972      7.354532
  C      -3.999592      5.501921      6.979949
  O      -4.911542      5.403756      5.866649
  C      -4.425049      5.664490      4.642324
  O      -3.287460      6.080068      4.427300
  C      -5.447295      5.384303      3.573230
  N      -6.588746      4.833185      3.980469
  C      -7.516942      4.546815      3.043813
  N      -7.444633      4.785781      1.744047
  C      -6.293403      5.369326      1.301849
  C      -6.179128      5.665032     -0.078978
  C      -5.027068      6.237397     -0.573128
  C      -3.947976      6.526599      0.292300
  C      -4.028313      6.257040      1.644265
  C      -5.206023      5.681306      2.191331
  C      -2.442011     -0.945884      4.171401
  C      -2.535154     -1.504305      2.740204
  O      -3.103375     -0.560335      1.805169
  C      -4.410087     -0.247472      1.982603
  O      -5.131773     -0.798153      2.788233
  C      -4.877988      0.834262      1.030100
  N      -6.198344      0.985785      1.033198
  C      -6.738686      1.841204      0.139321
  N      -6.104832      2.492883     -0.822137
  C      -4.745526      2.392994     -0.818586
  C      -4.020938      3.114617     -1.801064
  C      -2.643963      3.124704     -1.783477
  C      -1.943665      2.413675     -0.782304
  C      -2.618728      1.665456      0.161521
  C      -4.038924      1.606006      0.157354
  C      -4.084450     -0.190767      7.585461
  C      -4.860292      0.449912      8.735853
  O      -5.583309      1.623507      8.293296
  C      -6.830420      1.403673      7.813287
  O      -7.358224      0.303766      7.765858
  C      -7.501389      2.691022      7.411459
  N      -7.032930      3.801807      7.972596
  C      -7.688726      4.955116      7.701744
  N      -8.764989      5.113901      6.956380
  C      -9.245531      3.988531      6.348447
  C     -10.376463      4.106887      5.503577
  C     -10.863988      2.999994      4.841421
  C     -10.238762      1.740561      4.997146
  C      -9.145794      1.589880      5.826023
  C      -8.629583      2.706061      6.532429
  H      -2.951694      4.240936      8.336527
  H      -4.316405      3.449127      7.517367
  H      -3.193499      6.207168      6.737923
  H      -4.604186      5.887626      7.811200
  H      -8.429492      4.069024      3.411185
  H      -7.020196      5.408998     -0.722757
  H      -4.941217      6.461226     -1.637744
  H      -3.037104      6.970806     -0.113156
  H      -3.200687      6.487810      2.309075
  H      -3.441855     -0.981352      4.621613
  H      -1.806376     -1.657718      4.740905
  H      -3.131717     -2.428671      2.744332
  H      -1.542294     -1.714161      2.321495
  H      -7.819664      1.988162      0.212202
  H      -4.595536      3.667977     -2.544442
  H      -2.089022      3.692617     -2.532182
  H      -0.852949      2.448469     -0.760848
  H      -2.064161      1.105862      0.909622
  H      -4.782554     -0.369740      6.755910
  H      -3.743898     -1.185516      7.935249
  H      -5.570425     -0.270685      9.164724
  H      -4.183596      0.818807      9.518470
  H      -7.276797      5.853271      8.173107
  H     -10.823919      5.094563      5.385544
  H     -11.727956      3.095305      4.181271
  H     -10.621764      0.878641      4.448628
  H      -8.664188      0.622037      5.938942
  N      -2.637231      3.117511      3.530580
  H      -1.976286      2.779120      2.827052
  H      -2.437406      4.107976      3.701152
  H      -3.555304      3.090466      3.079562
  N      -4.722809      1.743679      5.122005
  N      -5.855391      1.793736      4.954927
101
Coordinates from ORCA-job orca E -6762.580743605919
  N      -2.554359      3.531007      6.383317
  Mo     -2.809986      1.733087      5.517343
  N      -2.944551      0.597186      7.125985
  C      -1.720294      0.357431      7.895690
  C      -0.710766      1.466350      7.627260
  N      -0.655327      1.772828      6.168349
  C      -0.163683      3.144971      5.915036
  C      -1.256824      4.176725      6.293929
  C       0.120793      0.750907      5.412868
  C      -0.537792      0.571207      4.041628
  N      -1.967754      0.401321      4.238038
  H      -1.263466      4.994201      5.538280
  H      -1.010619      4.664682      7.264940
  H       0.085664      3.207419      4.839473
  H       0.773648      3.328966      6.486167
  H      -0.081701     -0.284102      3.512063
  H      -0.335024      1.461500      3.416310
  H       0.047100     -0.195915      5.966001
  H       1.188015      1.032885      5.353904
  H      -1.916709      0.330549      8.985150
  H      -1.293635     -0.637168      7.643543
  H      -1.045321      2.382682      8.130978
  H       0.293704      1.205281      8.009184
  C      -3.458639      4.119750      7.341557
  C      -3.989306      5.508274      6.963110
  O      -4.902670      5.410520      5.850905
  C      -4.417182      5.660495      4.625649
  O      -3.280217      6.075111      4.405290
  C      -5.442700      5.373367      3.562311
  N      -6.572045      4.806777      3.976042
  C      -7.504734      4.514688      3.047324
  N      -7.447826      4.765095      1.751124
  C      -6.308869      5.365482      1.302599
  C      -6.212911      5.676168     -0.074178
  C      -5.073855      6.266338     -0.574387
  C      -3.989454      6.557457      0.280108
  C      -4.052484      6.274394      1.628443
  C      -5.217237      5.681412      2.182054
  C      -2.476305     -0.953668      4.173539
  C      -2.569790     -1.522869      2.746333
  O      -3.135597     -0.583220      1.804927
  C      -4.442834     -0.270389      1.969049
  O      -5.175897     -0.822451      2.763775
  C      -4.894692      0.817819      1.015230
  N      -6.215772      0.965499      0.990841
  C      -6.734518      1.837663      0.099733
  N      -6.075110      2.510728     -0.833714
  C      -4.715286      2.413636     -0.801621
  C      -3.963502      3.159642     -1.751557
  C      -2.588745      3.171830     -1.705471
  C      -1.918683      2.437754     -0.708270
  C      -2.618577      1.667004      0.205192
  C      -4.035307      1.606851      0.172704
  C      -4.074342     -0.184504      7.604678
  C      -4.848882      0.468278      8.750012
  O      -5.575133      1.636186      8.294894
  C      -6.826486      1.411205      7.825534
  O      -7.358016      0.310326      7.797670
  C      -7.495420      2.695047      7.408533
  N      -7.024519      3.811538      7.956517
  C      -7.677925      4.962861      7.672601
  N      -8.753318      5.114872      6.925496
  C      -9.236104      3.983549      6.331050
  C     -10.365865      4.094322      5.485750
  C     -10.854317      2.980582      4.835985
  C     -10.231592      1.722066      5.005729
  C      -9.140110      1.578796      5.836223
  C      -8.623001      2.701982      6.529731
  H      -2.953373      4.243625      8.325624
  H      -4.320650      3.460447      7.501750
  H      -3.179815      6.207787      6.719048
  H      -4.591208      5.900559      7.792024
  H      -8.406160      4.021250      3.418421
  H      -7.057241      5.417637     -0.709872
  H      -5.002560      6.503770     -1.634805
  H      -3.088984      7.015608     -0.130263
  H      -3.221366      6.507213      2.286609
  H      -3.479203     -0.972436      4.619591
  H      -1.853567     -1.670604      4.751918
  H      -3.168672     -2.445156      2.756507
  H      -1.577912     -1.739035      2.329859
  H      -7.818890      1.980238      0.149867
  H      -4.516023      3.730993     -2.491817
  H      -2.013182      3.758212     -2.429321
  H      -0.830970      2.473326     -0.665315
  H      -2.087108      1.088476      0.949350
  H      -4.774675     -0.372636      6.778145
  H      -3.731937     -1.176087      7.964316
  H      -5.556600     -0.248433      9.190650
  H      -4.170500      0.848508      9.526629
  H      -7.264427      5.865877      8.133095
  H     -10.811365      5.081306      5.356963
  H     -11.717229      3.069874      4.175111
  H     -10.615458      0.854708      4.466931
  H      -8.660813      0.611270      5.960257
  N      -2.629384      3.109502      3.526875
  H      -1.954113      2.771808      2.831803
  H      -2.437934      4.106509      3.701540
  H      -3.546231      3.072662      3.062408
  N      -4.724823      1.732097      5.121363
  N      -5.857999      1.771004      4.947754
101
Coordinates from ORCA-job orca E -6762.580855389727
  N      -2.562701      3.531219      6.368131
  Mo     -2.812720      1.728661      5.510947
  N      -2.932718      0.595991      7.125538
  C      -1.709317      0.364308      7.896798
  C      -0.707367      1.471717      7.624019
  N      -0.660475      1.771993      6.164596
  C      -0.189541      3.146299      5.900968
  C      -1.256644      4.166548      6.308515
  C       0.116544      0.747621      5.412555
  C      -0.544420      0.552028      4.041805
  N      -1.975519      0.388060      4.236435
  H      -1.244045      5.005291      5.591003
  H      -1.006928      4.611543      7.291353
  H       0.018159      3.212139      4.835610
  H       0.748035      3.333263      6.430722
  H      -0.090788     -0.311750      3.525258
  H      -0.338756      1.429719      3.401089
  H       0.045802     -0.194194      5.974348
  H       1.182780      1.031805      5.350990
  H      -1.905896      0.341790      8.984081
  H      -1.276104     -0.628499      7.653186
  H      -1.043056      2.387284      8.125290
  H       0.298766      1.210860      8.002718
  C      -3.471532      4.124478      7.318439
  C      -3.995563      5.513194      6.939230
  O      -4.911738      5.415718      5.827497
  C      -4.424541      5.645147      4.603467
  O      -3.285122      6.048643      4.379785
  C      -5.458136      5.361500      3.545749
  N      -6.581366      4.790146      3.969831
  C      -7.519482      4.502190      3.043781
  N      -7.475294      4.765584      1.742680
  C      -6.343094      5.372055      1.284198
  C      -6.259559      5.697500     -0.099130
  C      -5.126678      6.294766     -0.609730
  C      -4.035663      6.576304      0.240162
  C      -4.086944      6.279074      1.595453
  C      -5.245291      5.680022      2.158891
  C      -2.488795     -0.962845      4.175596
  C      -2.579617     -1.540957      2.752369
  O      -3.142499     -0.605224      1.804638
  C      -4.449691     -0.286077      1.960838
  O      -5.194826     -0.835877      2.752143
  C      -4.888160      0.806932      1.004541
  N      -6.206669      0.951553      0.956056
  C      -6.713359      1.831619      0.065442
  N      -6.043736      2.520735     -0.843739
  C      -4.684611      2.426121     -0.786825
  C      -3.919565      3.187890     -1.709456
  C      -2.546393      3.197996     -1.639856
  C      -1.891682      2.444198     -0.646796
  C      -2.604630      1.658632      0.240180
  C      -4.018784      1.604722      0.185957
  C      -4.060367     -0.187422      7.603499
  C      -4.840684      0.461281      8.745781
  O      -5.573065      1.626631      8.296119
  C      -6.828795      1.410663      7.838524
  O      -7.364801      0.318926      7.811847
  C      -7.493978      2.695270      7.428858
  N      -7.025067      3.804623      7.984369
  C      -7.670585      4.956721      7.704465
  N      -8.735911      5.116818      6.950692
  C      -9.218118      3.992278      6.349909
  C     -10.338165      4.110939      5.499299
  C     -10.826169      3.003493      4.841821
  C     -10.213371      1.743252      5.012058
  C      -9.131937      1.593081      5.848711
  C      -8.613944      2.710095      6.547328
  H      -2.971540      4.245251      8.306293
  H      -4.336681      3.468464      7.472358
  H      -3.181877      6.208655      6.695734
  H      -4.596505      5.908100      7.767617
  H      -8.413537      4.001470      3.419585
  H      -7.108081      5.444733     -0.732141
  H      -5.065486      6.545819     -1.674692
  H      -3.139825      7.039841     -0.177405
  H      -3.251130      6.503693      2.253580
  H      -3.492441     -0.975726      4.617715
  H      -1.872466     -1.676788      4.761139
  H      -3.180697     -2.462554      2.764866
  H      -1.586470     -1.760531      2.338469
  H      -7.797178      1.966890      0.093404
  H      -4.459683      3.774995     -2.446454
  H      -1.960801      3.795908     -2.342702
  H      -0.805289      2.476968     -0.586119
  H      -2.085499      1.062665      0.978805
  H      -4.757877     -0.377152      6.776280
  H      -3.716266     -1.177907      7.964476
  H      -5.544304     -0.257028      9.183130
  H      -4.164947      0.840427      9.520725
  H      -7.257907      5.852588      8.172397
  H     -10.776877      5.098094      5.371504
  H     -11.681379      3.098165      4.175667
  H     -10.597180      0.880023      4.468979
  H      -8.660724      0.624340      5.974613
  N      -2.605897      3.098373      3.516385
  H      -1.924487      2.759538      2.832103
  H      -2.417463      4.092520      3.692950
  H      -3.513241      3.061196      3.038825
  N      -4.730581      1.720016      5.123907
  N      -5.865830      1.755017      4.964877
101
Coordinates from ORCA-job orca E -6762.575810909248
  N      -2.564346      3.541204      6.386683
  Mo     -2.825023      1.744151      5.531774
  N      -2.910726      0.603821      7.141253
  C      -1.680779      0.371829      7.902377
  C      -0.681805      1.480017      7.622185
  N      -0.656996      1.780352      6.159435
  C      -0.189641      3.155443      5.893566
  C      -1.255066      4.167389      6.328242
  C       0.108613      0.753495      5.396661
  C      -0.572865      0.553265      4.032892
  N      -2.003724      0.398017      4.239861
  H      -1.244187      5.012041      5.627299
  H      -0.999819      4.591432      7.310613
  H      -0.004056      3.226040      4.823619
  H       0.763242      3.344211      6.403279
  H      -0.128339     -0.312602      3.515314
  H      -0.367608      1.424157      3.389615
  H       0.041705     -0.185679      5.958619
  H       1.176721      1.032761      5.321978
  H      -1.869364      0.348035      8.990132
  H      -1.252900     -0.618574      7.649822
  H      -1.011681      2.392478      8.131105
  H       0.331638      1.220726      7.986553
  C      -3.467498      4.127308      7.349526
  C      -3.996027      5.518256      6.981141
  O      -4.901060      5.428476      5.858564
  C      -4.394943      5.663166      4.637921
  O      -3.255129      6.080721      4.429268
  C      -5.416098      5.369695      3.560631
  N      -6.542964      4.782911      3.950609
  C      -7.466456      4.481171      3.009400
  N      -7.410362      4.739722      1.724373
  C      -6.277352      5.357520      1.299782
  C      -6.179198      5.671360     -0.064536
  C      -5.042797      6.279867     -0.544967
  C      -3.965610      6.589282      0.321243
  C      -4.029914      6.300789      1.661191
  C      -5.191095      5.687508      2.190465
  C      -2.525468     -0.948927      4.178503
  C      -2.618092     -1.527929      2.756632
  O      -3.173230     -0.590233      1.801255
  C      -4.479927     -0.268889      1.951079
  O      -5.231324     -0.822372      2.744436
  C      -4.922414      0.826025      0.994130
  N      -6.243714      0.948854      0.941474
  C      -6.777753      1.800725      0.038324
  N      -6.135166      2.480119     -0.882170
  C      -4.771002      2.409686     -0.822324
  C      -4.037588      3.157371     -1.761816
  C      -2.653968      3.192419     -1.686815
  C      -1.956302      2.478005     -0.669752
  C      -2.642445      1.699801      0.227923
  C      -4.068725      1.622118      0.168560
  C      -4.041068     -0.176118      7.629309
  C      -4.814598      0.481286      8.774082
  O      -5.554002      1.643135      8.323128
  C      -6.814249      1.423673      7.873141
  O      -7.338863      0.331123      7.847929
  C      -7.494594      2.705838      7.454728
  N      -7.041049      3.832543      8.010247
  C      -7.696516      4.984345      7.700189
  N      -8.754014      5.128680      6.906826
  C      -9.220749      3.983952      6.304006
  C     -10.326494      4.083626      5.395615
  C     -10.792373      2.954695      4.727114
  C     -10.174776      1.688932      4.947594
  C      -9.108072      1.557294      5.841714
  C      -8.608728      2.698800      6.545825
  H      -2.965417      4.241970      8.338170
  H      -4.326803      3.463566      7.499155
  H      -3.182858      6.222054      6.751561
  H      -4.609216      5.898144      7.811719
  H      -8.363215      3.975404      3.357380
  H      -7.017332      5.398211     -0.711779
  H      -4.967870      6.517883     -1.600783
  H      -3.067609      7.062999     -0.072517
  H      -3.202558      6.542865      2.331307
  H      -3.528774     -0.957399      4.619692
  H      -1.915592     -1.669131      4.761911
  H      -3.221451     -2.447114      2.770821
  H      -1.625922     -1.747049      2.344061
  H      -7.864216      1.912376      0.061637
  H      -4.605438      3.719862     -2.514486
  H      -2.093441      3.780508     -2.401814
  H      -0.857764      2.534812     -0.601023
  H      -2.092879      1.126777      0.980278
  H      -4.743720     -0.367297      6.806164
  H      -3.700032     -1.165201      7.989278
  H      -5.516155     -0.236655      9.223028
  H      -4.131623      0.869005      9.540993
  H      -7.296083      5.897037      8.167053
  H     -10.769097      5.075227      5.230103
  H     -11.634623      3.034782      4.012268
  H     -10.541246      0.807017      4.396717
  H      -8.632373      0.585103      6.004301
  N      -2.607683      3.079295      3.529188
  H      -1.957629      2.738157      2.853548
  H      -2.410791      4.042330      3.688138
  H      -3.492060      3.057054      3.056074
  N      -4.735402      1.734670      5.148038
  N      -5.867390      1.744539      4.978936
101
Coordinates from ORCA-job orca E -6762.576702182664
  N      -2.559572      3.538211      6.391350
  Mo     -2.817231      1.740207      5.523108
  N      -2.915610      0.601532      7.135876
  C      -1.689158      0.373055      7.902634
  C      -0.682803      1.480320      7.613187
  N      -0.648926      1.773927      6.150981
  C      -0.171992      3.144935      5.866342
  C      -1.251786      4.168885      6.327317
  C       0.114633      0.743797      5.395377
  C      -0.557942      0.550775      4.034459
  N      -1.989252      0.401918      4.238975
  H      -1.249933      5.033746      5.621774
  H      -0.991307      4.591026      7.322580
  H      -0.001383      3.209561      4.760988
  H       0.819547      3.334215      6.371085
  H      -0.111369     -0.317469      3.520070
  H      -0.345368      1.426230      3.394144
  H       0.044916     -0.196691      5.957319
  H       1.182573      1.018777      5.319654
  H      -1.881744      0.360087      8.992528
  H      -1.264361     -0.623528      7.659974
  H      -1.009888      2.400273      8.113790
  H       0.325326      1.219566      7.983847
  C      -3.471593      4.122314      7.357414
  C      -3.995394      5.525595      7.001415
  O      -4.903229      5.445979      5.877374
  C      -4.396466      5.685567      4.650343
  O      -3.249684      6.082433      4.441473
  C      -5.422940      5.403250      3.561931
  N      -6.575036      4.821903      3.955572
  C      -7.502202      4.526387      3.002055
  N      -7.421981      4.782582      1.696567
  C      -6.261050      5.395179      1.266596
  C      -6.136920      5.706405     -0.119940
  C      -4.975748      6.311584     -0.598125
  C      -3.898898      6.620988      0.291036
  C      -3.986743      6.333196      1.647888
  C      -5.173462      5.722867      2.176382
  C      -2.518009     -0.945785      4.172417
  C      -2.618922     -1.525402      2.752933
  O      -3.182150     -0.589010      1.804133
  C      -4.490814     -0.273230      1.959089
  O      -5.217187     -0.820384      2.746907
  C      -4.939761      0.814002      1.003506
  N      -6.258634      0.941408      0.945391
  C      -6.778734      1.803675      0.041057
  N      -6.121192      2.487850     -0.876639
  C      -4.767275      2.407343     -0.811657
  C      -4.026656      3.155864     -1.747965
  C      -2.656074      3.184766     -1.663660
  C      -1.978668      2.465789     -0.637986
  C      -2.670842      1.686192      0.255981
  C      -4.083981      1.610931      0.183959
  C      -4.044977     -0.175066      7.630490
  C      -4.813162      0.495163      8.773809
  O      -5.543952      1.655779      8.305728
  C      -6.811568      1.412383      7.863615
  O      -7.349609      0.300798      7.869363
  C      -7.495268      2.686581      7.425674
  N      -7.036323      3.816161      7.954011
  C      -7.701412      4.960430      7.639389
  N      -8.775211      5.091457      6.873228
  C      -9.244403      3.945382      6.298149
  C     -10.369812      4.033076      5.431334
  C     -10.843254      2.905345      4.806954
  C     -10.209567      1.653581      5.017843
  C      -9.121800      1.532141      5.864674
  C      -8.620204      2.670495      6.537775
  H      -2.976304      4.226896      8.348996
  H      -4.336906      3.458578      7.500461
  H      -3.176202      6.234887      6.771504
  H      -4.610340      5.907484      7.840482
  H      -8.425325      4.031236      3.364264
  H      -6.975741      5.435456     -0.782250
  H      -4.880272      6.546715     -1.669734
  H      -2.981684      7.092042     -0.102975
  H      -3.160343      6.574087      2.330119
  H      -3.520444     -0.950180      4.614218
  H      -1.909789     -1.670505      4.752712
  H      -3.220782     -2.446694      2.772693
  H      -1.627515     -1.744363      2.335911
  H      -7.863626      1.925408      0.063679
  H      -4.582730      3.721549     -2.507800
  H      -2.090270      3.773702     -2.376165
  H      -0.892166      2.518820     -0.560174
  H      -2.136116      1.109517      1.016065
  H      -4.750786     -0.372798      6.809520
  H      -3.702558     -1.160993      7.998819
  H      -5.521071     -0.215020      9.233571
  H      -4.126822      0.891467      9.539902
  H      -7.299089      5.877216      8.086630
  H     -10.823529      5.015805      5.271322
  H     -11.702733      2.977355      4.133643
  H     -10.581370      0.775299      4.499259
  H      -8.633970      0.570217      6.019055
  N      -2.610519      3.081966      3.523582
  H      -1.922103      2.737335      2.846237
  H      -2.422411      4.080066      3.697754
  H      -3.517209      3.041706      3.040778
  N      -4.734539      1.732616      5.140089
  N      -5.866371      1.727971      4.940493
101
Coordinates from ORCA-job orca E -6762.576261838546
  N      -2.565659      3.539789      6.364652
  Mo     -2.818904      1.736706      5.504934
  N      -2.939932      0.597086      7.114167
  C      -1.722081      0.371295      7.887074
  C      -0.716479      1.480788      7.604455
  N      -0.669704      1.772825      6.149006
  C      -0.194103      3.146309      5.868890
  C      -1.259142      4.168934      6.310647
  C       0.098738      0.742970      5.403542
  C      -0.559836      0.543628      4.040822
  N      -1.989665      0.391780      4.233393
  H      -1.248528      5.029457      5.606725
  H      -1.002174      4.594111      7.307620
  H      -0.016287      3.208511      4.784446
  H       0.774018      3.338279      6.375075
  H      -0.110526     -0.327787      3.532261
  H      -0.343031      1.419734      3.397472
  H       0.026174     -0.197797      5.968553
  H       1.162964      1.022266      5.338150
  H      -1.921103      0.358028      8.974549
  H      -1.291082     -0.626331      7.650055
  H      -1.047287      2.402496      8.099862
  H       0.284280      1.222380      7.981545
  C      -3.468084      4.134991      7.316261
  C      -3.977512      5.527104      6.930193
  O      -4.887050      5.432001      5.816237
  C      -4.403356      5.647272      4.586722
  O      -3.271447      6.045103      4.346107
  C      -5.437102      5.348287      3.548237
  N      -6.532954      4.768510      3.989190
  C      -7.476095      4.460905      3.090033
  N      -7.457724      4.712240      1.798831
  C      -6.350974      5.329303      1.323249
  C      -6.298476      5.646688     -0.049420
  C      -5.197407      6.260856     -0.572057
  C      -4.105021      6.566487      0.249657
  C      -4.122129      6.273794      1.590038
  C      -5.251507      5.659926      2.169941
  C      -2.515667     -0.957953      4.168709
  C      -2.599844     -1.539631      2.745763
  O      -3.152928     -0.604922      1.796694
  C      -4.464065     -0.293112      1.944992
  O      -5.208758     -0.839172      2.719660
  C      -4.889274      0.806056      0.994307
  N      -6.211868      0.948488      0.924938
  C      -6.695372      1.835069      0.029125
  N      -5.994543      2.529586     -0.866969
  C      -4.635148      2.432821     -0.787889
  C      -3.841569      3.195489     -1.697439
  C      -2.468761      3.207107     -1.595644
  C      -1.839376      2.457612     -0.583097
  C      -2.579217      1.667178      0.287356
  C      -3.996996      1.608929      0.197020
  C      -4.066575     -0.181611      7.592206
  C      -4.848949      0.473547      8.727131
  O      -5.578489      1.634686      8.264945
  C      -6.827191      1.410270      7.810153
  O      -7.364491      0.316615      7.792475
  C      -7.493318      2.692800      7.401660
  N      -7.019296      3.794714      7.957606
  C      -7.660062      4.943016      7.687553
  N      -8.723968      5.105812      6.950213
  C      -9.209644      3.990264      6.350393
  C     -10.327560      4.116392      5.522378
  C     -10.823192      3.021538      4.875854
  C     -10.217958      1.767673      5.028557
  C      -9.137757      1.608666      5.837141
  C      -8.613855      2.712225      6.531028
  H      -2.969165      4.251763      8.303101
  H      -4.338710      3.486363      7.471795
  H      -3.163513      6.215111      6.684982
  H      -4.577191      5.928752      7.750640
  H      -8.356333      3.958107      3.488639
  H      -7.147933      5.376410     -0.660014
  H      -5.161250      6.506230     -1.628209
  H      -3.232920      7.043369     -0.180605
  H      -3.283632      6.516694      2.219570
  H      -3.526101     -0.961577      4.602553
  H      -1.909515     -1.681694      4.762009
  H      -3.201466     -2.458919      2.756598
  H      -1.603749     -1.760820      2.337429
  H      -7.784553      1.975566      0.041358
  H      -4.363449      3.780452     -2.449235
  H      -1.862603      3.807343     -2.288484
  H      -0.753627      2.493877     -0.492878
  H      -2.078680      1.071529      1.041035
  H      -4.760637     -0.376043      6.765142
  H      -3.724620     -1.169970      7.960130
  H      -5.552482     -0.240671      9.168377
  H      -4.176642      0.863359      9.500750
  H      -7.244782      5.832894      8.157143
  H     -10.760890      5.099475      5.407527
  H     -11.678360      3.122840      4.232032
  H     -10.608946      0.915770      4.492370
  H      -8.673089      0.643821      5.950163
  N      -2.613095      3.101281      3.509860
  H      -1.909306      2.768484      2.816461
  H      -2.432662      4.114384      3.701817
  H      -3.528424      3.053722      3.026976
  N      -4.735799      1.727194      5.109611
  N      -5.869033      1.737965      4.920919
101
Coordinates from ORCA-job orca E -6762.573869684858
  N      -2.571276      3.537387      6.363939
  Mo     -2.837726      1.730961      5.514634
  N      -2.925850      0.598123      7.132304
  C      -1.690895      0.379210      7.894209
  C      -0.691179      1.490508      7.599096
  N      -0.664215      1.777995      6.136882
  C      -0.204747      3.150026      5.849198
  C      -1.265835      4.165077      6.297363
  C       0.099327      0.749213      5.381294
  C      -0.581952      0.540207      4.019261
  N      -2.010863      0.384440      4.229059
  H      -1.258016      5.020896      5.597338
  H      -1.000199      4.581462      7.289302
  H      -0.042733      3.213183      4.776134
  H       0.752995      3.348587      6.338426
  H      -0.135510     -0.330663      3.506868
  H      -0.378119      1.411359      3.366527
  H       0.035999     -0.188775      5.951024
  H       1.166742      1.030694      5.301152
  H      -1.879267      0.369850      8.988033
  H      -1.259932     -0.616847      7.651329
  H      -1.021466      2.407929      8.102803
  H       0.323102      1.236821      7.966300
  C      -3.464902      4.134533      7.317502
  C      -3.980655      5.523823      6.939541
  O      -4.893947      5.432837      5.829466
  C      -4.404477      5.654877      4.609806
  O      -3.268269      6.054563      4.385165
  C      -5.424932      5.369961      3.554887
  N      -6.535165      4.787268      3.983600
  C      -7.460479      4.493953      3.058528
  N      -7.408755      4.764862      1.753758
  C      -6.283432      5.383942      1.291886
  C      -6.192338      5.719808     -0.096466
  C      -5.068044      6.331719     -0.605985
  C      -3.991682      6.617981      0.245078
  C      -4.049835      6.311047      1.603219
  C      -5.202608      5.697615      2.168108
  C      -2.541914     -0.959913      4.172591
  C      -2.640980     -1.542178      2.753022
  O      -3.205815     -0.612084      1.807380
  C      -4.510916     -0.303678      1.956934
  O      -5.271616     -0.863771      2.739715
  C      -4.938191      0.796985      1.005146
  N      -6.258545      0.932222      0.938059
  C      -6.748272      1.819044      0.049649
  N      -6.056741      2.521486     -0.841301
  C      -4.695251      2.432453     -0.767017
  C      -3.905570      3.205719     -1.674336
  C      -2.532268      3.224161     -1.582664
  C      -1.899264      2.472388     -0.583741
  C      -2.632148      1.675349      0.288452
  C      -4.050325      1.608298      0.208476
  C      -4.048685     -0.181204      7.635303
  C      -4.818347      0.483478      8.778614
  O      -5.557801      1.640226      8.312276
  C      -6.804582      1.422389      7.862137
  O      -7.318827      0.336570      7.850592
  C      -7.482774      2.701599      7.440551
  N      -7.010929      3.844569      7.986609
  C      -7.664964      4.994103      7.686438
  N      -8.736387      5.127220      6.920095
  C      -9.221924      3.967918      6.325603
  C     -10.345064      4.055627      5.448426
  C     -10.831460      2.906630      4.788197
  C     -10.214868      1.638312      4.986992
  C      -9.130553      1.519379      5.851810
  C      -8.613229      2.679239      6.548857
  H      -2.955592      4.246651      8.303423
  H      -4.332824      3.491475      7.476921
  H      -3.174515      6.213650      6.694134
  H      -4.572926      5.918549      7.762236
  H      -8.348292      3.981252      3.437583
  H      -7.029430      5.464123     -0.730368
  H      -5.001852      6.592096     -1.672852
  H      -3.101693      7.093243     -0.174303
  H      -3.224603      6.538340      2.261838
  H      -3.545119     -0.958202      4.616575
  H      -1.936075     -1.681191      4.758684
  H      -3.241447     -2.461531      2.774160
  H      -1.652855     -1.761645      2.335252
  H      -7.834008      1.948751      0.062221
  H      -4.429236      3.792233     -2.414830
  H      -1.930550      3.831775     -2.275543
  H      -0.814468      2.512423     -0.502571
  H      -2.126122      1.081286      1.032331
  H      -4.754561     -0.384620      6.815230
  H      -3.698799     -1.167935      8.008764
  H      -5.515764     -0.231182      9.238502
  H      -4.135678      0.880821      9.542351
  H      -7.251220      5.916308      8.143003
  H     -10.786643      5.049442      5.297581
  H     -11.688378      2.977119      4.098516
  H     -10.598118      0.741152      4.441174
  H      -8.656244      0.542981      5.998401
  N      -2.636411      3.084975      3.519145
  H      -1.955129      2.745028      2.841017
  H      -2.451862      4.076843      3.685596
  H      -3.536638      3.046463      3.037403
  N      -4.742165      1.711719      5.146733
  N      -5.876477      1.710786      4.975756
101
Coordinates from ORCA-job orca E -6762.576801209724
  N      -2.554467      3.540744      6.380882
  Mo     -2.823789      1.736708      5.527917
  N      -2.915834      0.604509      7.142748
  C      -1.685518      0.377356      7.905269
  C      -0.680120      1.483750      7.611938
  N      -0.653609      1.772397      6.148363
  C      -0.184335      3.145509      5.862541
  C      -1.242178      4.161345      6.317297
  C       0.106038      0.736842      5.393477
  C      -0.572604      0.531541      4.033569
  N      -2.004488      0.384996      4.243160
  H      -1.228268      5.018255      5.625261
  H      -0.976012      4.569899      7.306470
  H      -0.020671      3.212035      4.786545
  H       0.778201      3.338803      6.351691
  H      -0.129909     -0.341868      3.522677
  H      -0.360433      1.400796      3.384501
  H       0.037882     -0.200144      5.961735
  H       1.175401      1.012840      5.311517
  H      -1.875186      0.367645      8.995631
  H      -1.263142     -0.619782      7.662590
  H      -1.004851      2.402333      8.115024
  H       0.332867      1.224860      7.977316
  C      -3.462681      4.132039      7.346468
  C      -3.987576      5.530987      6.988268
  O      -4.898872      5.440041      5.874640
  C      -4.392125      5.673023      4.649854
  O      -3.241999      6.086075      4.445057
  C      -5.414500      5.376482      3.561998
  N      -6.553892      4.779744      3.944086
  C      -7.477581      4.480519      2.985663
  N      -7.407932      4.749191      1.691079
  C      -6.262906      5.376743      1.276603
  C      -6.152989      5.706845     -0.092811
  C      -5.005935      6.327567     -0.557803
  C      -3.927829      6.630823      0.328339
  C      -4.004800      6.327080      1.671668
  C      -5.177239      5.704223      2.187031
  C      -2.537143     -0.958785      4.185036
  C      -2.629819     -1.540372      2.763235
  O      -3.187561     -0.602335      1.805510
  C      -4.500800     -0.285573      1.945941
  O      -5.254743     -0.847616      2.733386
  C      -4.944256      0.805103      0.984274
  N      -6.261478      0.920021      0.918601
  C      -6.786429      1.786151      0.022797
  N      -6.137526      2.487673     -0.874254
  C      -4.780193      2.423439     -0.803618
  C      -4.041866      3.197474     -1.719130
  C      -2.666645      3.239824     -1.636689
  C      -1.983281      2.507400     -0.634163
  C      -2.669604      1.710462      0.246025
  C      -4.088273      1.620325      0.176535
  C      -4.045433     -0.168651      7.648905
  C      -4.805820      0.509801      8.793011
  O      -5.534139      1.668328      8.321736
  C      -6.806001      1.427416      7.880825
  O      -7.350261      0.312617      7.895791
  C      -7.482605      2.701073      7.429575
  N      -7.024362      3.833184      7.941306
  C      -7.687673      4.979418      7.599934
  N      -8.755893      5.109825      6.820281
  C      -9.224955      3.958834      6.263430
  C     -10.345030      4.040268      5.376712
  C     -10.815614      2.901734      4.761087
  C     -10.186098      1.645291      5.006109
  C      -9.103005      1.532043      5.879492
  C      -8.603376      2.681544      6.535721
  H      -2.961052      4.239113      8.335227
  H      -4.329352      3.473008      7.494763
  H      -3.174040      6.235760      6.750835
  H      -4.594586      5.917597      7.823791
  H      -8.380086      3.967532      3.329442
  H      -6.990750      5.439582     -0.754125
  H      -4.923192      6.581459     -1.612780
  H      -3.023121      7.112557     -0.056194
  H      -3.178837      6.563753      2.356496
  H      -3.543111     -0.956492      4.623668
  H      -1.933453     -1.683808      4.772382
  H      -3.235675     -2.462202      2.779674
  H      -1.634436     -1.763341      2.353878
  H      -7.869381      1.891260      0.034624
  H      -4.601826      3.769472     -2.463889
  H      -2.102848      3.847611     -2.335255
  H      -0.894701      2.567607     -0.562008
  H      -2.128158      1.130734      0.992352
  H      -4.756776     -0.368112      6.832785
  H      -3.703086     -1.153781      8.019770
  H      -5.512664     -0.195862      9.258024
  H      -4.116537      0.906173      9.553997
  H      -7.287589      5.898782      8.031059
  H     -10.794337      5.025855      5.191784
  H     -11.670073      2.967339      4.067635
  H     -10.554465      0.756391      4.494984
  H      -8.618444      0.566668      6.059767
  N      -2.599963      3.062231      3.524182
  H      -1.928230      2.717798      2.860277
  H      -2.411820      4.037772      3.678342
  H      -3.488065      3.028995      3.041310
  N      -4.735316      1.725208      5.144250
  N      -5.865299      1.726812      4.960787
101
Coordinates from ORCA-job orca E -6762.576760134772
  N      -2.546222      3.557039      6.394199
  Mo     -2.809769      1.754148      5.525527
  N      -2.931176      0.599967      7.125926
  C      -1.712942      0.365872      7.897371
  C      -0.702462      1.469909      7.623643
  N      -0.653141      1.768841      6.169404
  C      -0.170203      3.139683      5.889230
  C      -1.233956      4.175400      6.345407
  C       0.108639      0.736393      5.416999
  C      -0.553107      0.547933      4.055998
  N      -1.983771      0.408086      4.248314
  H      -1.217105      5.048036      5.643844
  H      -0.968932      4.590969      7.351376
  H      -0.002057      3.200659      4.784627
  H       0.821913      3.327670      6.393861
  H      -0.108771     -0.324935      3.545999
  H      -0.330882      1.422852      3.415971
  H       0.032754     -0.205555      5.977088
  H       1.174404      1.007147      5.350288
  H      -1.913368      0.346422      8.982043
  H      -1.285040     -0.629086      7.652919
  H      -1.028353      2.389916      8.126740
  H       0.297083      1.201168      7.999900
  C      -3.460875      4.157891      7.339510
  C      -3.970188      5.552220      6.952322
  O      -4.880467      5.451868      5.830943
  C      -4.394705      5.660252      4.595962
  O      -3.256105      6.052787      4.356864
  C      -5.436932      5.355004      3.545428
  N      -6.554281      4.768250      3.977765
  C      -7.505714      4.458578      3.065029
  N      -7.481470      4.716616      1.777300
  C      -6.356754      5.334406      1.307937
  C      -6.296270      5.649484     -0.065763
  C      -5.170812      6.254214     -0.590953
  C      -4.064021      6.554705      0.238786
  C      -4.092999      6.270031      1.583853
  C      -5.243012      5.663195      2.162203
  C      -2.525009     -0.936408      4.177881
  C      -2.616778     -1.517763      2.757953
  O      -3.168605     -0.584838      1.804220
  C      -4.473201     -0.265178      1.946807
  O      -5.200882     -0.798579      2.721065
  C      -4.903834      0.817010      0.986960
  N      -6.224768      0.955771      0.908145
  C      -6.717506      1.829188     -0.002421
  N      -6.031616      2.513824     -0.904903
  C      -4.678248      2.421233     -0.817058
  C      -3.908246      3.174119     -1.733502
  C      -2.537582      3.191303     -1.628043
  C      -1.891151      2.452476     -0.598552
  C      -2.611441      1.673451      0.279156
  C      -4.023458      1.610752      0.184684
  C      -4.056025     -0.181791      7.595936
  C      -4.845494      0.461437      8.727473
  O      -5.581029      1.621352      8.269793
  C      -6.825888      1.399919      7.805205
  O      -7.352248      0.308209      7.768216
  C      -7.495929      2.677138      7.405552
  N      -7.022064      3.769279      7.974788
  C      -7.667925      4.913647      7.718754
  N      -8.734991      5.076191      6.979674
  C      -9.215464      3.968952      6.361231
  C     -10.330640      4.096481      5.519978
  C     -10.815377      3.012643      4.842847
  C     -10.207125      1.764180      4.979908
  C      -9.130406      1.601828      5.806853
  C      -8.615125      2.696966      6.528419
  H      -2.970475      4.273146      8.329585
  H      -4.337949      3.509538      7.487088
  H      -3.145580      6.247668      6.712460
  H      -4.581237      5.959588      7.777216
  H      -8.394265      3.949557      3.456115
  H      -7.154156      5.381923     -0.683328
  H      -5.123473      6.495435     -1.652721
  H      -3.175869      7.022425     -0.196369
  H      -3.246014      6.509115      2.219193
  H      -3.534392     -0.929952      4.609549
  H      -1.928767     -1.668058      4.769332
  H      -3.224486     -2.432513      2.777620
  H      -1.625162     -1.747272      2.347649
  H      -7.805355      1.962484      0.004924
  H      -4.443583      3.752587     -2.497393
  H      -1.947418      3.784038     -2.324842
  H      -0.804716      2.495020     -0.505313
  H      -2.100250      1.087741      1.048728
  H      -4.747466     -0.371358      6.768839
  H      -3.709578     -1.168723      7.955189
  H      -5.547880     -0.253537      9.163897
  H      -4.177051      0.845569      9.502424
  H      -7.255467      5.800691      8.200604
  H     -10.764372      5.075947      5.417441
  H     -11.666389      3.115060      4.182052
  H     -10.589736      0.919832      4.416156
  H      -8.664226      0.641617      5.904557
  N      -2.586871      3.103575      3.526550
  H      -1.889345      2.762541      2.843281
  H      -2.398958      4.110190      3.706932
  H      -3.495900      3.062736      3.038933
  N      -4.720572      1.759678      5.123335
  N      -5.848950      1.775026      4.926936
101
Coordinates from ORCA-job orca E -6762.577933460394
  N      -2.577822      3.527667      6.353038
  Mo     -2.833380      1.719221      5.507484
  N      -2.932610      0.587248      7.121230
  C      -1.703567      0.367032      7.886229
  C      -0.698980      1.476149      7.596224
  N      -0.664389      1.766925      6.137047
  C      -0.204463      3.140834      5.853039
  C      -1.268204      4.151562      6.301380
  C       0.098070      0.738001      5.381738
  C      -0.578904      0.522856      4.021721
  N      -2.007485      0.366580      4.228766
  H      -1.250100      5.012405      5.610624
  H      -1.013264      4.558071      7.294244
  H      -0.040077      3.207198      4.770350
  H       0.762256      3.339419      6.348748
  H      -0.134186     -0.351297      3.514082
  H      -0.370424      1.389412      3.364969
  H       0.035379     -0.198289      5.954707
  H       1.163998      1.021743      5.302033
  H      -1.895045      0.356878      8.977979
  H      -1.273339     -0.630380      7.648534
  H      -1.028256      2.393926      8.098950
  H       0.309511      1.219329      7.967498
  C      -3.473998      4.127877      7.303536
  C      -3.976214      5.520362      6.922586
  O      -4.887569      5.440943      5.807675
  C      -4.401887      5.656622      4.583162
  O      -3.268583      6.040625      4.347178
  C      -5.431010      5.369799      3.541328
  N      -6.527579      4.783184      3.975102
  C      -7.462951      4.486022      3.061805
  N      -7.433021      4.757961      1.762685
  C      -6.323414      5.381398      1.295239
  C      -6.256265      5.720711     -0.087317
  C      -5.148941      6.339625     -0.600947
  C      -4.062147      6.624883      0.239119
  C      -4.096011      6.313768      1.589450
  C      -5.232421      5.696929      2.159153
  C      -2.531904     -0.978383      4.165745
  C      -2.617628     -1.559022      2.744920
  O      -3.174111     -0.627893      1.797340
  C      -4.484726     -0.321088      1.949198
  O      -5.237958     -0.879299      2.726867
  C      -4.912708      0.781359      0.997131
  N      -6.237356      0.913194      0.924654
  C      -6.724921      1.808416      0.041476
  N      -6.027928      2.528119     -0.834441
  C      -4.661659      2.445450     -0.751067
  C      -3.865816      3.238508     -1.635989
  C      -2.484052      3.260125     -1.534445
  C      -1.848334      2.487968     -0.546453
  C      -2.591523      1.672490      0.303010
  C      -4.018490      1.605525      0.213394
  C      -4.061816     -0.182901      7.626425
  C      -4.818847      0.501754      8.772340
  O      -5.547379      1.660831      8.296723
  C      -6.808275      1.424468      7.856648
  O      -7.351730      0.317057      7.873643
  C      -7.482930      2.707361      7.414755
  N      -7.015940      3.843580      7.932534
  C      -7.667911      4.993137      7.614005
  N      -8.736167      5.130003      6.855898
  C      -9.217479      3.978682      6.297581
  C     -10.339997      4.074564      5.451073
  C     -10.830935      2.944457      4.847344
  C     -10.216560      1.683288      5.066775
  C      -9.131277      1.554793      5.891990
  C      -8.610615      2.695151      6.540310
  H      -2.970215      4.238899      8.291549
  H      -4.344978      3.485908      7.457197
  H      -3.161899      6.202387      6.680308
  H      -4.566192      5.917588      7.745625
  H      -8.340251      3.969275      3.448967
  H      -7.100091      5.464305     -0.713504
  H      -5.102073      6.604987     -1.664140
  H      -3.185011      7.104511     -0.183351
  H      -3.264013      6.541556      2.237207
  H      -3.539560     -0.982124      4.600935
  H      -1.926110     -1.697906      4.757100
  H      -3.219368     -2.477719      2.757710
  H      -1.623800     -1.778219      2.332819
  H      -7.815600      1.933504      0.047704
  H      -4.391431      3.838666     -2.370853
  H      -1.875662      3.883082     -2.208071
  H      -0.754262      2.529977     -0.458081
  H      -2.085289      1.066004      1.041020
  H      -4.770845     -0.388606      6.807537
  H      -3.722813     -1.169276      8.008835
  H      -5.523352     -0.208100      9.243719
  H      -4.125473      0.904057      9.533797
  H      -7.255487      5.910294      8.051888
  H     -10.780254      5.064573      5.285886
  H     -11.689296      3.020684      4.189494
  H     -10.604873      0.802524      4.569246
  H      -8.659269      0.583742      6.056560
  N      -2.621178      3.081582      3.512365
  H      -1.918245      2.752421      2.825492
  H      -2.447823      4.089837      3.697713
  H      -3.527340      3.032854      3.026239
  N      -4.749429      1.694486      5.124030
  N      -5.889288      1.691502      4.944802
101
Coordinates from ORCA-job orca E -6762.576402200779
  N      -2.558172      3.548688      6.377771
  Mo     -2.825088      1.745388      5.524543
  N      -2.914365      0.607655      7.135011
  C      -1.684537      0.378090      7.895739
  C      -0.682579      1.486059      7.601054
  N      -0.660691      1.778903      6.139496
  C      -0.199596      3.152876      5.855100
  C      -1.246239      4.166736      6.325650
  C       0.098749      0.745730      5.384398
  C      -0.581454      0.538200      4.028228
  N      -2.009005      0.393014      4.239671
  H      -1.227532      5.038079      5.648625
  H      -0.976804      4.558334      7.325006
  H      -0.051652      3.223575      4.791656
  H       0.756949      3.343767      6.328125
  H      -0.137585     -0.335860      3.521951
  H      -0.371273      1.406180      3.375679
  H       0.037232     -0.191629      5.951951
  H       1.163970      1.023297      5.299173
  H      -1.872995      0.366361      8.985500
  H      -1.260656     -0.618485      7.650915
  H      -1.008078      2.402823      8.105924
  H       0.330729      1.227098      7.963221
  C      -3.464976      4.136598      7.341540
  C      -3.985511      5.538471      6.984926
  O      -4.893254      5.448367      5.868123
  C      -4.382505      5.679222      4.643798
  O      -3.234019      6.093338      4.433153
  C      -5.395806      5.368659      3.562577
  N      -6.510781      4.763753      3.960794
  C      -7.431135      4.452498      3.022585
  N      -7.375383      4.713855      1.727797
  C      -6.250242      5.351429      1.296300
  C      -6.157024      5.679692     -0.071441
  C      -5.033666      6.315202     -0.547402
  C      -3.960768      6.634443      0.318971
  C      -4.019158      6.331870      1.659055
  C      -5.171333      5.694528      2.188326
  C      -2.544989     -0.951521      4.182608
  C      -2.636261     -1.533321      2.759984
  O      -3.192976     -0.593541      1.806747
  C      -4.507457     -0.284925      1.950484
  O      -5.268548     -0.846954      2.734487
  C      -4.947441      0.809026      0.993411
  N      -6.258411      0.926909      0.921851
  C      -6.767837      1.797225      0.024097
  N      -6.101020      2.501305     -0.867074
  C      -4.752237      2.428979     -0.788851
  C      -3.998986      3.196853     -1.703581
  C      -2.645871      3.213766     -1.622419
  C      -1.993426      2.470578     -0.620439
  C      -2.689177      1.685275      0.264250
  C      -4.088148      1.616825      0.191691
  C      -4.041710     -0.167438      7.631880
  C      -4.813374      0.500900      8.771319
  O      -5.546001      1.662002      8.309981
  C      -6.801905      1.435499      7.864409
  O      -7.320239      0.343717      7.851235
  C      -7.484094      2.711185      7.434479
  N      -7.025834      3.854005      7.973322
  C      -7.686683      5.001640      7.649235
  N      -8.750914      5.129956      6.862787
  C      -9.222406      3.970472      6.277418
  C     -10.338435      4.050484      5.382566
  C     -10.812047      2.899701      4.743329
  C     -10.188764      1.635316      4.974368
  C      -9.109310      1.524220      5.850110
  C      -8.606194      2.686175      6.530546
  H      -2.968193      4.238893      8.333066
  H      -4.330200      3.478127      7.483933
  H      -3.173709      6.245698      6.748668
  H      -4.594854      5.922055      7.820061
  H      -8.322104      3.933128      3.381447
  H      -6.991436      5.400223     -0.718845
  H      -4.966511      6.568682     -1.599248
  H      -3.072599      7.129182     -0.074584
  H      -3.195041      6.582051      2.329417
  H      -3.551393     -0.947916      4.619094
  H      -1.943882     -1.678201      4.771987
  H      -3.239554     -2.456008      2.773440
  H      -1.640990     -1.753340      2.351971
  H      -7.849237      1.903957      0.023727
  H      -4.535763      3.775801     -2.447733
  H      -2.074203      3.812909     -2.323783
  H      -0.924515      2.508754     -0.549644
  H      -2.170535      1.101044      1.013455
  H      -4.746128     -0.362974      6.812586
  H      -3.698228     -1.154847      7.998784
  H      -5.516662     -0.207731      9.221893
  H      -4.134851      0.891443      9.536479
  H      -7.285723      5.924005      8.100152
  H     -10.785333      5.040908      5.209909
  H     -11.663712      2.964630      4.048514
  H     -10.560836      0.738141      4.449145
  H      -8.628564      0.552841      6.020748
  N      -2.603822      3.069348      3.520028
  H      -1.921315      2.722325      2.855005
  H      -2.420568      4.057974      3.678578
  H      -3.501032      3.026809      3.030671
  N      -4.732206      1.732892      5.149488
  N      -5.864402      1.730219      4.971363
101
Coordinates from ORCA-job orca E -6762.575583694567
  N      -2.549192      3.559132      6.387165
  Mo     -2.816410      1.748115      5.538858
  N      -2.914612      0.605623      7.147134
  C      -1.685755      0.376775      7.908048
  C      -0.678998      1.483738      7.617084
  N      -0.647896      1.773613      6.154465
  C      -0.171457      3.146910      5.863602
  C      -1.234723      4.175535      6.335122
  C       0.109003      0.735955      5.400741
  C      -0.570783      0.525824      4.043730
  N      -2.004829      0.384462      4.257286
  H      -1.215966      5.051673      5.644315
  H      -0.968426      4.576751      7.341582
  H      -0.017191      3.208168      4.760807
  H       0.819814      3.341039      6.353182
  H      -0.131805     -0.354740      3.537102
  H      -0.353198      1.392093      3.387964
  H       0.043156     -0.200065      5.975008
  H       1.177807      1.014843      5.315732
  H      -1.876068      0.363814      8.999413
  H      -1.259881     -0.620386      7.665499
  H      -1.002196      2.404368      8.121253
  H       0.331587      1.221679      7.982951
  C      -3.462449      4.160059      7.338761
  C      -3.990447      5.549985      6.955607
  O      -4.911182      5.444633      5.848967
  C      -4.413602      5.645487      4.623002
  O      -3.265701      6.037777      4.409318
  C      -5.447084      5.347011      3.541674
  N      -6.589223      4.752356      3.939720
  C      -7.524569      4.456203      2.989748
  N      -7.462780      4.733414      1.690514
  C      -6.313717      5.359562      1.258572
  C      -6.214654      5.699025     -0.118033
  C      -5.065164      6.315541     -0.600135
  C      -3.974195      6.603006      0.274614
  C      -4.041642      6.293327      1.623436
  C      -5.215910      5.675529      2.157633
  C      -2.544914     -0.957451      4.199398
  C      -2.631966     -1.545348      2.779396
  O      -3.184481     -0.611501      1.812039
  C      -4.497460     -0.295361      1.936101
  O      -5.254447     -0.857525      2.716848
  C      -4.933349      0.790217      0.968528
  N      -6.265494      0.895805      0.890486
  C      -6.786334      1.761358     -0.008807
  N      -6.124858      2.473172     -0.898577
  C      -4.751225      2.418988     -0.813098
  C      -3.997266      3.205803     -1.716621
  C      -2.599844      3.261560     -1.615931
  C      -1.912835      2.526858     -0.609236
  C      -2.618252      1.716196      0.257853
  C      -4.058342      1.615656      0.171759
  C      -4.042862     -0.170933      7.639137
  C      -4.825779      0.477261      8.773561
  O      -5.566364      1.630606      8.313822
  C      -6.815722      1.407135      7.849680
  O      -7.337428      0.317026      7.817408
  C      -7.487402      2.681582      7.436459
  N      -7.021557      3.784515      7.996625
  C      -7.668964      4.931969      7.711493
  N      -8.730661      5.089851      6.945331
  C      -9.208066      3.969138      6.335144
  C     -10.323875      4.083338      5.459008
  C     -10.806993      2.974799      4.790141
  C     -10.195569      1.719304      4.972249
  C      -9.116950      1.574063      5.834598
  C      -8.603168      2.692219      6.542727
  H      -2.962951      4.280653      8.325908
  H      -4.332317      3.503410      7.493897
  H      -3.176399      6.243855      6.704480
  H      -4.592770      5.955065      7.781166
  H      -8.431632      3.943482      3.347538
  H      -7.061965      5.442724     -0.770061
  H      -4.991158      6.576899     -1.660041
  H      -3.067233      7.080413     -0.123214
  H      -3.207476      6.522124      2.297220
  H      -3.556057     -0.949897      4.630534
  H      -1.947525     -1.684598      4.794943
  H      -3.242204     -2.464705      2.797389
  H      -1.635786     -1.775701      2.376825
  H      -7.879030      1.861272     -0.002247
  H      -4.560854      3.778343     -2.464843
  H      -2.022161      3.880519     -2.303343
  H      -0.806077      2.596851     -0.522842
  H      -2.075664      1.136234      1.008982
  H      -4.743193     -0.366478      6.816448
  H      -3.695981     -1.156245      8.003999
  H      -5.524828     -0.238529      9.214391
  H      -4.153845      0.865805      9.543249
  H      -7.263218      5.824300      8.184658
  H     -10.760321      5.066581      5.324237
  H     -11.658380      3.066072      4.104172
  H     -10.574699      0.854139      4.419477
  H      -8.647770      0.609171      5.967045
  N      -2.576297      3.063948      3.532986
  H      -1.898710      2.725473      2.871961
  H      -2.389635      4.035804      3.690797
  H      -3.457956      3.032841      3.043685
  N      -4.726064      1.740916      5.152617
  N      -5.852110      1.753272      4.976525
101
Coordinates from ORCA-job orca E -6762.576005815645
  N      -2.571901      3.546508      6.365224
  Mo     -2.827064      1.737741      5.510409
  N      -2.936239      0.591356      7.115823
  C      -1.711385      0.363613      7.882437
  C      -0.704771      1.470721      7.603484
  N      -0.665490      1.769563      6.147732
  C      -0.199555      3.142542      5.867656
  C      -1.257220      4.160849      6.326849
  C       0.097711      0.741608      5.393757
  C      -0.572924      0.536035      4.035197
  N      -2.001370      0.388421      4.234864
  H      -1.229713      5.033965      5.644767
  H      -0.998009      4.555399      7.330648
  H      -0.041231      3.211587      4.772719
  H       0.783032      3.336819      6.361089
  H      -0.128128     -0.337832      3.530352
  H      -0.357575      1.403803      3.384950
  H       0.033246     -0.196589      5.960634
  H       1.162044      1.021180      5.317991
  H      -1.906624      0.347507      8.970143
  H      -1.282033     -0.631050      7.639544
  H      -1.032700      2.386887      8.109782
  H       0.299632      1.207006      7.976145
  C      -3.475528      4.148278      7.312289
  C      -3.968300      5.543566      6.923127
  O      -4.875974      5.461063      5.800705
  C      -4.392105      5.658923      4.569779
  O      -3.259794      6.036341      4.322756
  C      -5.432003      5.363568      3.532678
  N      -6.534184      4.774044      3.972785
  C      -7.482897      4.470908      3.069351
  N      -7.465131      4.738233      1.781436
  C      -6.352478      5.361636      1.304980
  C      -6.297561      5.691854     -0.072139
  C      -5.184259      6.306542     -0.601068
  C      -4.082827      6.599615      0.223329
  C      -4.105915      6.299305      1.570452
  C      -5.245007      5.683639      2.152610
  C      -2.534673     -0.955540      4.168334
  C      -2.625431     -1.542288      2.750940
  O      -3.175922     -0.613956      1.798685
  C      -4.477895     -0.296216      1.946527
  O      -5.202237     -0.826684      2.716957
  C      -4.900877      0.795736      0.990394
  N      -6.220937      0.940775      0.906575
  C      -6.698819      1.832272      0.009185
  N      -5.996245      2.538374     -0.870514
  C      -4.641552      2.441305     -0.775823
  C      -3.848491      3.218397     -1.663944
  C      -2.474298      3.224559     -1.551638
  C      -1.849561      2.450132     -0.546048
  C      -2.592556      1.652118      0.306536
  C      -4.008154      1.601481      0.205330
  C      -4.059565     -0.186147      7.609095
  C      -4.821829      0.487630      8.752002
  O      -5.550924      1.647237      8.278771
  C      -6.816553      1.404898      7.841748
  O      -7.371055      0.286801      7.859138
  C      -7.492339      2.684696      7.413844
  N      -7.019214      3.792817      7.944373
  C      -7.667053      4.938053      7.654036
  N      -8.735051      5.089763      6.913529
  C      -9.217130      3.965682      6.338251
  C     -10.334674      4.079730      5.498987
  C     -10.822575      2.981030      4.867150
  C     -10.214230      1.729933      5.049061
  C      -9.134998      1.581269      5.873893
  C      -8.616156      2.691218      6.547750
  H      -2.982650      4.257626      8.303696
  H      -4.354043      3.508681      7.459666
  H      -3.144366      6.223770      6.682584
  H      -4.568850      5.952053      7.742240
  H      -8.360023      3.953723      3.464010
  H      -7.151381      5.430374     -0.684844
  H      -5.143951      6.562116     -1.664440
  H      -3.202984      7.076007     -0.212344
  H      -3.263222      6.532471      2.202066
  H      -3.542383     -0.950346      4.599878
  H      -1.937022     -1.680137      4.761046
  H      -3.230631     -2.454838      2.772055
  H      -1.635566     -1.770106      2.338516
  H      -7.788495      1.965300      0.006800
  H      -4.367314      3.821763     -2.410597
  H      -1.866442      3.835439     -2.226765
  H      -0.760620      2.480352     -0.447878
  H      -2.096710      1.045567      1.061416
  H      -4.766200     -0.387198      6.790362
  H      -3.715957     -1.171183      7.981756
  H      -5.528714     -0.222203      9.218346
  H      -4.131224      0.886420      9.516372
  H      -7.251134      5.838998      8.105101
  H     -10.769859      5.062642      5.360186
  H     -11.677354      3.072474      4.205782
  H     -10.600294      0.871541      4.520405
  H      -8.666430      0.618688      6.006040
  N      -2.604617      3.090289      3.510905
  H      -1.900069      2.754082      2.827626
  H      -2.425804      4.101759      3.694826
  H      -3.511161      3.042456      3.019877
  N      -4.744193      1.724335      5.112525
  N      -5.882147      1.718999      4.921894
101
Coordinates from ORCA-job orca E -6762.578333850431
  N      -2.551113      3.549975      6.381155
  Mo     -2.826564      1.750077      5.526053
  N      -2.923179      0.607591      7.131122
  C      -1.693410      0.375789      7.890399
  C      -0.687021      1.482560      7.594810
  N      -0.661581      1.773237      6.132219
  C      -0.187330      3.145102      5.851226
  C      -1.238360      4.167097      6.336370
  C       0.092827      0.733332      5.374324
  C      -0.593572      0.521216      4.019704
  N      -2.022377      0.383180      4.236795
  H      -1.220797      5.050613      5.660089
  H      -0.972008      4.552750      7.346010
  H      -0.042669      3.210412      4.770404
  H       0.787395      3.332962      6.329482
  H      -0.158206     -0.359916      3.512805
  H      -0.378237      1.385689      3.361554
  H       0.030191     -0.202915      5.946819
  H       1.158054      1.011770      5.285642
  H      -1.881688      0.364252      8.981182
  H      -1.271482     -0.623996      7.646173
  H      -1.011505      2.401618      8.099470
  H       0.324663      1.223638      7.956002
  C      -3.460727      4.141059      7.336853
  C      -3.988620      5.539777      6.980216
  O      -4.897977      5.438217      5.864093
  C      -4.391169      5.669454      4.634180
  O      -3.250578      6.095015      4.405976
  C      -5.405667      5.349449      3.574962
  N      -6.489362      4.747978      3.998885
  C      -7.414789      4.427739      3.074946
  N      -7.389261      4.683371      1.772886
  C      -6.292375      5.322038      1.317783
  C      -6.229599      5.649625     -0.062198
  C      -5.133122      6.284578     -0.561952
  C      -4.056416      6.604481      0.291823
  C      -4.086216      6.304971      1.642399
  C      -5.210954      5.668780      2.194806
  C      -2.571197     -0.956636      4.174179
  C      -2.649051     -1.530816      2.750377
  O      -3.186726     -0.584030      1.802938
  C      -4.500408     -0.279499      1.940416
  O      -5.274471     -0.848655      2.705452
  C      -4.924865      0.824091      0.986285
  N      -6.236580      0.948591      0.899779
  C      -6.726055      1.823518     -0.006654
  N      -6.041366      2.523645     -0.893946
  C      -4.689090      2.443953     -0.796487
  C      -3.912044      3.207639     -1.702061
  C      -2.548427      3.219591     -1.596272
  C      -1.908203      2.474401     -0.579993
  C      -2.631806      1.690439      0.293394
  C      -4.042331      1.630621      0.197154
  C      -4.047494     -0.172397      7.619971
  C      -4.824784      0.501383      8.754487
  O      -5.552334      1.665329      8.291832
  C      -6.803316      1.445762      7.837970
  O      -7.327707      0.349827      7.822423
  C      -7.482007      2.724915      7.409923
  N      -7.022798      3.871948      7.936928
  C      -7.681662      5.019529      7.616016
  N      -8.746095      5.146452      6.846395
  C      -9.219079      3.985479      6.277474
  C     -10.336031      4.067921      5.417681
  C     -10.816250      2.921356      4.803918
  C     -10.195387      1.656648      5.023653
  C      -9.115471      1.542612      5.862583
  C      -8.605738      2.701006      6.522783
  H      -2.964056      4.249474      8.327589
  H      -4.322185      3.478855      7.481574
  H      -3.178555      6.253311      6.741870
  H      -4.597406      5.919763      7.819968
  H      -8.285864      3.907110      3.452924
  H      -7.066077      5.367583     -0.700956
  H      -5.089500      6.536604     -1.626854
  H      -3.187130      7.097859     -0.119043
  H      -3.259359      6.557444      2.304490
  H      -3.589060     -0.944796      4.595762
  H      -1.982363     -1.693320      4.772255
  H      -3.262284     -2.442825      2.751496
  H      -1.653249     -1.758929      2.348031
  H      -7.806954      1.938803     -0.020371
  H      -4.438920      3.789959     -2.457458
  H      -1.955950      3.816894     -2.288736
  H      -0.827200      2.509679     -0.488034
  H      -2.123904      1.102258      1.052165
  H      -4.746241     -0.370566      6.797011
  H      -3.705430     -1.161031      7.990967
  H      -5.530488     -0.205945      9.201066
  H      -4.148695      0.887924      9.523280
  H      -7.277606      5.944295      8.061164
  H     -10.782061      5.059250      5.254504
  H     -11.671003      2.986370      4.140320
  H     -10.574575      0.762264      4.518676
  H      -8.634383      0.570588      6.025677
  N      -2.591244      3.078771      3.526405
  H      -1.895493      2.741245      2.844476
  H      -2.409571      4.081406      3.701198
  H      -3.491363      3.037320      3.035846
  N      -4.733892      1.740873      5.139390
  N      -5.869397      1.736464      4.956784
101
Coordinates from ORCA-job orca E -6762.575591619148
  N      -2.569114      3.550967      6.377345
  Mo     -2.831139      1.735819      5.534498
  N      -2.916209      0.597662      7.147476
  C      -1.683507      0.379533      7.906357
  C      -0.687717      1.494068      7.608359
  N      -0.664099      1.783465      6.148361
  C      -0.205763      3.157406      5.856558
  C      -1.253739      4.161337      6.325831
  C       0.096515      0.754189      5.395995
  C      -0.587445      0.534511      4.043158
  N      -2.014619      0.384052      4.259723
  H      -1.228739      5.023415      5.655378
  H      -0.984242      4.548122      7.314285
  H      -0.063662      3.228367      4.783772
  H       0.758497      3.355582      6.324411
  H      -0.142307     -0.341275      3.542654
  H      -0.379073      1.398355      3.383790
  H       0.044477     -0.179238      5.970660
  H       1.159537      1.041612      5.302091
  H      -1.870590      0.369566      8.996942
  H      -1.254001     -0.614482      7.665983
  H      -1.017067      2.409287      8.108222
  H       0.323920      1.242589      7.972928
  C      -3.475420      4.158992      7.319404
  C      -3.980847      5.546528      6.920172
  O      -4.893381      5.463166      5.807752
  C      -4.391846      5.648743      4.589483
  O      -3.247438      6.007848      4.380184
  C      -5.416434      5.369429      3.504113
  N      -6.574401      4.783130      3.897978
  C      -7.502107      4.500135      2.958896
  N      -7.422911      4.780461      1.676531
  C      -6.257658      5.399514      1.249580
  C      -6.144382      5.744964     -0.102012
  C      -4.981236      6.357715     -0.576789
  C      -3.891510      6.637604      0.277008
  C      -3.969251      6.319249      1.601754
  C      -5.161774      5.704032      2.132535
  C      -2.542268     -0.960502      4.200809
  C      -2.624137     -1.546983      2.777447
  O      -3.186438     -0.608980      1.819309
  C      -4.507710     -0.309726      1.951366
  O      -5.266327     -0.885414      2.728524
  C      -4.954394      0.780673      0.993207
  N      -6.280662      0.872407      0.916810
  C      -6.802575      1.741885      0.026746
  N      -6.136801      2.471995     -0.850725
  C      -4.774192      2.428786     -0.766790
  C      -4.023535      3.231304     -1.662165
  C      -2.652903      3.285468     -1.572567
  C      -1.983883      2.540098     -0.585479
  C      -2.679114      1.719559      0.279225
  C      -4.093519      1.617473      0.203286
  C      -4.034796     -0.189754      7.647454
  C      -4.808569      0.472631      8.785775
  O      -5.546881      1.629120      8.320763
  C      -6.800345      1.401106      7.871289
  O      -7.320024      0.308528      7.855193
  C      -7.475643      2.678144      7.443103
  N      -7.005055      3.807913      7.982096
  C      -7.656597      4.958743      7.665908
  N      -8.722235      5.098816      6.886435
  C      -9.205949      3.952023      6.301827
  C     -10.325443      4.045737      5.417190
  C     -10.812351      2.909008      4.778707
  C     -10.200163      1.645236      4.999527
  C      -9.117731      1.519934      5.867809
  C      -8.600220      2.667524      6.546245
  H      -2.980577      4.284308      8.306674
  H      -4.346373      3.511677      7.474147
  H      -3.164661      6.218990      6.669914
  H      -4.575166      5.960311      7.730507
  H      -8.423594      3.992756      3.310682
  H      -6.992192      5.496282     -0.740155
  H      -4.899036      6.624546     -1.614549
  H      -2.973771      7.114892     -0.116636
  H      -3.135178      6.543603      2.260411
  H      -3.549331     -0.960225      4.629155
  H      -1.942005     -1.680624      4.795214
  H      -3.225272     -2.474565      2.791399
  H      -1.624856     -1.765184      2.374690
  H      -7.896299      1.825244      0.023722
  H      -4.575472      3.808911     -2.396011
  H      -2.080661      3.913812     -2.256727
  H      -0.900644      2.606184     -0.509275
  H      -2.147806      1.133928      1.016094
  H      -4.740547     -0.395852      6.828555
  H      -3.681196     -1.172278      8.018987
  H      -5.509618     -0.241306      9.241909
  H      -4.127170      0.870431      9.550235
  H      -7.247349      5.870926      8.116728
  H     -10.763458      5.035200      5.252493
  H     -11.666364      2.984909      4.090329
  H     -10.583323      0.760954      4.475444
  H      -8.646396      0.549524      6.029988
  N      -2.607384      3.049857      3.530069
  H      -1.916022      2.710183      2.867913
  H      -2.431468      4.041760      3.690854
  H      -3.505807      3.000538      3.036275
  N      -4.739779      1.707516      5.159052
  N      -5.875118      1.705765      4.989720
101
Coordinates from ORCA-job orca E -6762.577673850773
  N      -2.554193      3.562168      6.380277
  Mo     -2.823589      1.751375      5.528236
  N      -2.923468      0.607784      7.135136
  C      -1.689097      0.374537      7.892183
  C      -0.681220      1.477355      7.603406
  N      -0.653597      1.774311      6.143788
  C      -0.187318      3.146694      5.857292
  C      -1.237761      4.173380      6.337212
  C       0.102220      0.743052      5.385952
  C      -0.582795      0.532857      4.031651
  N      -2.013318      0.391350      4.245417
  H      -1.211393      5.061926      5.659694
  H      -0.966732      4.556550      7.353435
  H      -0.046133      3.216348      4.760428
  H       0.800934      3.336895      6.336442
  H      -0.143369     -0.345626      3.527054
  H      -0.367651      1.397993      3.374639
  H       0.043135     -0.193794      5.958932
  H       1.169462      1.023020      5.296437
  H      -1.876154      0.362308      8.984182
  H      -1.267043     -0.622717      7.644844
  H      -1.003510      2.395838      8.113912
  H       0.329166      1.209901      7.968389
  C      -3.460897      4.161732      7.338715
  C      -3.972484      5.559740      6.961216
  O      -4.884267      5.464677      5.846378
  C      -4.387845      5.675411      4.618101
  O      -3.244166      6.086836      4.392409
  C      -5.417088      5.355588      3.553739
  N      -6.526268      4.732921      3.963691
  C      -7.458350      4.410462      3.024753
  N      -7.420353      4.688770      1.725422
  C      -6.305502      5.344655      1.279827
  C      -6.231348      5.684332     -0.107599
  C      -5.115993      6.326757     -0.605803
  C      -4.033303      6.636850      0.261306
  C      -4.076689      6.329827      1.618594
  C      -5.216128      5.686555      2.169392
  C      -2.554400     -0.948373      4.185538
  C      -2.652731     -1.546556      2.772818
  O      -3.212057     -0.623498      1.810108
  C      -4.519093     -0.306847      1.943236
  O      -5.252594     -0.845645      2.718818
  C      -4.948967      0.776706      0.976688
  N      -6.275687      0.895580      0.884168
  C      -6.774583      1.769565     -0.018757
  N      -6.086873      2.486042     -0.893199
  C      -4.722349      2.419372     -0.791165
  C      -3.943886      3.214033     -1.675233
  C      -2.562709      3.248060     -1.562796
  C      -1.917480      2.487500     -0.559244
  C      -2.643171      1.678032      0.295241
  C      -4.065583      1.595901      0.192845
  C      -4.046754     -0.170513      7.641434
  C      -4.813905      0.491928      8.783747
  O      -5.553737      1.642208      8.310574
  C      -6.813657      1.397289      7.862906
  O      -7.347031      0.292135      7.861225
  C      -7.485924      2.668650      7.433795
  N      -7.015006      3.762423      7.986271
  C      -7.655783      4.906043      7.691700
  N      -8.716100      5.067129      6.918186
  C      -9.197214      3.955268      6.315274
  C     -10.310138      4.075806      5.424274
  C     -10.795902      2.982818      4.757203
  C     -10.192244      1.736350      4.955572
  C      -9.116794      1.582719      5.833800
  C      -8.600630      2.683764      6.537348
  H      -2.960375      4.269517      8.328906
  H      -4.336769      3.514884      7.491620
  H      -3.154769      6.254031      6.716584
  H      -4.577639      5.963859      7.787328
  H      -8.330809      3.864688      3.393965
  H      -7.068722      5.407852     -0.754188
  H      -5.061115      6.588244     -1.674228
  H      -3.154490      7.132690     -0.151238
  H      -3.249256      6.574102      2.282505
  H      -3.558136     -0.934190      4.619916
  H      -1.960078     -1.671036      4.777405
  H      -3.260393     -2.461743      2.804345
  H      -1.662922     -1.778499      2.360805
  H      -7.868893      1.875653     -0.028698
  H      -4.477856      3.807569     -2.419062
  H      -1.967488      3.871365     -2.237006
  H      -0.826310      2.538527     -0.462721
  H      -2.129100      1.087202      1.052100
  H      -4.757133     -0.375788      6.825751
  H      -3.693287     -1.150908      8.012727
  H      -5.514035     -0.221558      9.249401
  H      -4.127004      0.894052      9.547019
  H      -7.245025      5.794391      8.158074
  H     -10.739594      5.054829      5.275948
  H     -11.645224      3.080522      4.054457
  H     -10.572874      0.883489      4.402230
  H      -8.655106      0.623535      5.974008
  N      -2.597825      3.080815      3.519502
  H      -1.916391      2.738265      2.854390
  H      -2.414866      4.066363      3.678306
  H      -3.490019      3.043613      3.032039
  N      -4.734380      1.740595      5.142258
  N      -5.860062      1.742705      4.951590
101
Coordinates from ORCA-job orca E -6762.578060208016
  N      -2.563559      3.549307      6.374805
  Mo     -2.829987      1.745741      5.519657
  N      -2.931599      0.596011      7.123616
  C      -1.705995      0.363476      7.884552
  C      -0.697752      1.469830      7.601418
  N      -0.665978      1.767020      6.142042
  C      -0.192068      3.141283      5.860398
  C      -1.246931      4.160662      6.345375
  C       0.092798      0.730702      5.386108
  C      -0.587635      0.517115      4.032194
  N      -2.016997      0.380155      4.240960
  H      -1.220283      5.050652      5.675368
  H      -0.986479      4.538716      7.357938
  H      -0.049207      3.210449      4.762243
  H       0.801798      3.330545      6.341672
  H      -0.151397     -0.364140      3.530358
  H      -0.369204      1.377603      3.374487
  H       0.031802     -0.204198      5.957989
  H       1.156216      1.011088      5.302854
  H      -1.897926      0.346387      8.972278
  H      -1.280544     -0.633496      7.640105
  H      -1.023221      2.386645      8.109181
  H       0.310255      1.208217      7.966483
  C      -3.475730      4.148152      7.318843
  C      -3.980802      5.545185      6.944937
  O      -4.891775      5.455292      5.822926
  C      -4.400079      5.652252      4.589703
  O      -3.260497      6.030391      4.348622
  C      -5.434939      5.352959      3.545990
  N      -6.533713      4.768529      3.982883
  C      -7.478757      4.466740      3.072689
  N      -7.461782      4.728316      1.777864
  C      -6.351185      5.346638      1.307367
  C      -6.296218      5.674948     -0.071244
  C      -5.184457      6.288295     -0.592608
  C      -4.085537      6.585938      0.241294
  C      -4.108741      6.285448      1.591965
  C      -5.246832      5.670083      2.164698
  C      -2.563675     -0.960320      4.176992
  C      -2.639471     -1.539774      2.754952
  O      -3.168696     -0.597980      1.798898
  C      -4.473764     -0.280593      1.928331
  O      -5.236839     -0.833867      2.693171
  C      -4.886368      0.820124      0.970303
  N      -6.196377      0.959439      0.876153
  C      -6.672464      1.845610     -0.028841
  N      -5.980160      2.547569     -0.906795
  C      -4.631440      2.455114     -0.802771
  C      -3.847392      3.221961     -1.695895
  C      -2.476116      3.227666     -1.577924
  C      -1.840768      2.467217     -0.559981
  C      -2.576391      1.678668      0.297801
  C      -3.993209      1.626607      0.189364
  C      -4.057847     -0.180429      7.607967
  C      -4.830832      0.493775      8.744469
  O      -5.549540      1.660234      8.276035
  C      -6.805972      1.436632      7.826284
  O      -7.350562      0.331570      7.824235
  C      -7.484649      2.718264      7.400772
  N      -7.020030      3.855211      7.921524
  C      -7.676179      5.002984      7.618325
  N      -8.744286      5.136620      6.883232
  C      -9.221487      3.983915      6.323083
  C     -10.342305      4.074190      5.508909
  C     -10.827222      2.938505      4.907051
  C     -10.208541      1.674486      5.091221
  C      -9.124891      1.551464      5.884855
  C      -8.610611      2.701136      6.537596
  H      -2.986546      4.257644      8.312755
  H      -4.347348      3.498837      7.458637
  H      -3.159413      6.241275      6.707854
  H      -4.584024      5.939156      7.776764
  H      -8.361550      3.964484      3.464081
  H      -7.149646      5.411359     -0.691370
  H      -5.144823      6.540834     -1.658692
  H      -3.204734      7.062436     -0.185929
  H      -3.265172      6.520740      2.234341
  H      -3.583037     -0.945985      4.595033
  H      -1.978969     -1.696116      4.781140
  H      -3.254567     -2.447650      2.760218
  H      -1.645650     -1.773447      2.354612
  H      -7.750722      1.973411     -0.043928
  H      -4.370803      3.816018     -2.452594
  H      -1.875741      3.829000     -2.258025
  H      -0.752281      2.498179     -0.457601
  H      -2.074730      1.080978      1.061327
  H      -4.757001     -0.376104      6.785432
  H      -3.720817     -1.168897      7.979505
  H      -5.542298     -0.209698      9.191700
  H      -4.153049      0.879964      9.513834
  H      -7.266743      5.923166      8.061532
  H     -10.787375      5.064432      5.369907
  H     -11.685996      3.009568      4.276992
  H     -10.592620      0.785767      4.589578
  H      -8.644694      0.580255      6.023278
  N      -2.591055      3.077290      3.520899
  H      -1.891098      2.746855      2.840595
  H      -2.412911      4.075834      3.698994
  H      -3.484267      3.034603      3.027754
  N      -4.744100      1.736516      5.124777
  N      -5.878228      1.726505      4.936768
101
Coordinates from ORCA-job orca E -6762.579110983475
  N      -2.562424      3.548531      6.364073
  Mo     -2.820470      1.736727      5.521961
  N      -2.914846      0.600459      7.131034
  C      -1.686998      0.369282      7.891372
  C      -0.682886      1.476342      7.598131
  N      -0.654575      1.771164      6.138781
  C      -0.197615      3.146579      5.852580
  C      -1.242271      4.154132      6.330897
  C       0.101669      0.737057      5.378932
  C      -0.582803      0.517228      4.025653
  N      -2.010506      0.373554      4.241120
  H      -1.206957      5.032137      5.673763
  H      -0.977029      4.523773      7.331422
  H      -0.058085      3.220223      4.781059
  H       0.767044      3.340458      6.320880
  H      -0.140930     -0.366559      3.527916
  H      -0.367971      1.377507      3.359298
  H       0.049103     -0.198257      5.953708
  H       1.165055      1.020474      5.283108
  H      -1.875637      0.356933      8.981763
  H      -1.261929     -0.629067      7.649463
  H      -1.009047      2.393910      8.102518
  H       0.326078      1.215217      7.963585
  C      -3.471277      4.148549      7.312399
  C      -3.984547      5.543479      6.935647
  O      -4.895200      5.445271      5.818284
  C      -4.384776      5.652948      4.591353
  O      -3.238821      6.053588      4.364154
  C      -5.406880      5.340574      3.527113
  N      -6.496925      4.723932      3.944444
  C      -7.426736      4.407497      3.022391
  N      -7.402013      4.682331      1.731712
  C      -6.300479      5.337045      1.283313
  C      -6.242474      5.686647     -0.080447
  C      -5.141130      6.335950     -0.574328
  C      -4.055159      6.649626      0.267769
  C      -4.080658      6.329840      1.603302
  C      -5.211244      5.678035      2.152205
  C      -2.546213     -0.970679      4.183906
  C      -2.627479     -1.554168      2.763582
  O      -3.181175     -0.615039      1.812134
  C      -4.500311     -0.317260      1.954497
  O      -5.257322     -0.881338      2.729236
  C      -4.942073      0.773546      0.996622
  N      -6.263930      0.867388      0.901895
  C      -6.765270      1.744061      0.006267
  N      -6.082178      2.482152     -0.857078
  C      -4.723195      2.433253     -0.750832
  C      -3.948545      3.242842     -1.624329
  C      -2.578668      3.286095     -1.510475
  C      -1.932650      2.520376     -0.522699
  C      -2.654016      1.693387      0.320181
  C      -4.067320      1.608071      0.221634
  C      -4.042397     -0.176705      7.618200
  C      -4.818356      0.486475      8.757425
  O      -5.550814      1.651136      8.304142
  C      -6.808527      1.431062      7.864522
  O      -7.334015      0.340979      7.846760
  C      -7.484294      2.713594      7.447479
  N      -7.019624      3.846031      7.990218
  C      -7.669999      4.997521      7.676820
  N      -8.725490      5.141717      6.888147
  C      -9.202086      3.996472      6.298684
  C     -10.303213      4.099968      5.390199
  C     -10.785342      2.972930      4.738576
  C     -10.184240      1.706393      4.974626
  C      -9.120300      1.571708      5.865599
  C      -8.604454      2.709925      6.550799
  H      -2.980063      4.259339      8.303786
  H      -4.339993      3.494652      7.456635
  H      -3.166080      6.237439      6.689629
  H      -4.590801      5.944607      7.761123
  H      -8.299730      3.871342      3.394287
  H      -7.086462      5.410518     -0.710129
  H      -5.101160      6.605956     -1.624028
  H      -3.182134      7.156129     -0.140000
  H      -3.248686      6.580316      2.256725
  H      -3.557326     -0.966658      4.612131
  H      -1.948872     -1.695789      4.781487
  H      -3.230607     -2.478024      2.772858
  H      -1.629324     -1.773668      2.359108
  H      -7.855025      1.830446     -0.015355
  H      -4.482566      3.835976     -2.360544
  H      -1.986792      3.920680     -2.176065
  H      -0.847667      2.576556     -0.427150
  H      -2.141444      1.093082      1.057636
  H      -4.740920     -0.370854      6.794528
  H      -3.700181     -1.165535      7.985291
  H      -5.522634     -0.225542      9.200146
  H      -4.140468      0.869440      9.526887
  H      -7.263223      5.909063      8.136317
  H     -10.734343      5.092178      5.211218
  H     -11.624176      3.056217      4.023611
  H     -10.564715      0.829041      4.438370
  H      -8.652658      0.599091      6.036596
  N      -2.587261      3.067237      3.519392
  H      -1.865347      2.724461      2.852983
  H      -2.416833      4.087553      3.701658
  H      -3.497032      3.009452      3.013465
  N      -4.732418      1.716136      5.156938
  N      -5.872245      1.716301      4.988899
101
Coordinates from ORCA-job orca E -6762.579052937921
  N      -2.566932      3.562357      6.384207
  Mo     -2.839139      1.748792      5.532471
  N      -2.925413      0.604615      7.140863
  C      -1.684364      0.375772      7.890684
  C      -0.680601      1.483137      7.597252
  N      -0.663397      1.778983      6.138636
  C      -0.205300      3.149484      5.845954
  C      -1.250399      4.170309      6.349495
  C       0.093733      0.754095      5.377721
  C      -0.599848      0.538723      4.026347
  N      -2.028485      0.393028      4.246937
  H      -1.222764      5.071396      5.687573
  H      -0.974549      4.532610      7.373203
  H      -0.087439      3.219954      4.753401
  H       0.787463      3.341492      6.301896
  H      -0.161125     -0.336784      3.520564
  H      -0.391636      1.401858      3.368380
  H       0.044812     -0.181461      5.951359
  H       1.159385      1.042000      5.280848
  H      -1.866320      0.362821      8.983719
  H      -1.261643     -0.618707      7.638489
  H      -1.000940      2.397941      8.110362
  H       0.333252      1.219899      7.955467
  C      -3.472430      4.167274      7.331527
  C      -3.972132      5.561596      6.940939
  O      -4.882841      5.480533      5.831342
  C      -4.386321      5.665576      4.613240
  O      -3.244731      6.034610      4.394074
  C      -5.410207      5.363454      3.542893
  N      -6.531683      4.749675      3.945884
  C      -7.454957      4.439816      3.006968
  N      -7.398155      4.724524      1.714802
  C      -6.267736      5.370924      1.276730
  C      -6.175937      5.714479     -0.097260
  C      -5.046218      6.348420     -0.585857
  C      -3.967466      6.647838      0.275868
  C      -4.026647      6.334827      1.620356
  C      -5.183070      5.698655      2.163764
  C      -2.564570     -0.945188      4.190945
  C      -2.657022     -1.543137      2.775154
  O      -3.217352     -0.618127      1.814616
  C      -4.527490     -0.302840      1.944810
  O      -5.282210     -0.856262      2.723025
  C      -4.954150      0.784007      0.975907
  N      -6.273338      0.896855      0.879348
  C      -6.774376      1.773033     -0.018298
  N      -6.091305      2.496767     -0.883359
  C      -4.732508      2.433452     -0.779764
  C      -3.963124      3.228429     -1.663856
  C      -2.599585      3.253086     -1.562956
  C      -1.956484      2.489832     -0.567749
  C      -2.669082      1.683460      0.291506
  C      -4.076884      1.606569      0.197654
  C      -4.044220     -0.176246      7.657046
  C      -4.804726      0.491565      8.800182
  O      -5.545912      1.640058      8.321803
  C      -6.799816      1.401498      7.874279
  O      -7.322857      0.303035      7.875939
  C      -7.471599      2.672392      7.432389
  N      -7.003662      3.790467      7.971996
  C      -7.653143      4.936410      7.652404
  N      -8.716999      5.079247      6.869471
  C      -9.197410      3.943732      6.286509
  C     -10.316846      4.042796      5.404221
  C     -10.801871      2.920057      4.769408
  C     -10.188038      1.666335      4.987888
  C      -9.105203      1.534601      5.855800
  C      -8.591535      2.666133      6.532027
  H      -2.974784      4.280805      8.321562
  H      -4.350630      3.527081      7.483255
  H      -3.158968      6.235363      6.693527
  H      -4.564423      5.974805      7.752024
  H      -8.341691      3.899907      3.366802
  H      -7.012934      5.447033     -0.741159
  H      -4.978535      6.612721     -1.642940
  H      -3.076788      7.138742     -0.129909
  H      -3.201283      6.573624      2.281913
  H      -3.568077     -0.931330      4.624359
  H      -1.970576     -1.664304      4.784225
  H      -3.263169     -2.460692      2.804638
  H      -1.664021     -1.773835      2.366090
  H      -7.866077      1.869546     -0.036420
  H      -4.496225      3.822122     -2.402185
  H      -2.013760      3.873017     -2.240893
  H      -0.879738      2.532255     -0.482155
  H      -2.156787      1.089252      1.041166
  H      -4.760878     -0.385342      6.845752
  H      -3.686566     -1.156473      8.029540
  H      -5.503123     -0.219630      9.274318
  H      -4.113861      0.899997      9.557572
  H      -7.246824      5.842260      8.102360
  H     -10.754233      5.026139      5.241825
  H     -11.656095      3.000712      4.083322
  H     -10.569130      0.793495      4.464631
  H      -8.636585      0.569663      6.016683
  N      -2.616893      3.069978      3.526436
  H      -1.948896      2.728982      2.864104
  H      -2.429694      4.036582      3.675845
  H      -3.496525      3.040131      3.041050
  N      -4.745821      1.728132      5.148820
  N      -5.875945      1.724874      4.961889
101
Coordinates from ORCA-job orca E -6762.578801400688
  N      -2.547971      3.557330      6.366647
  Mo     -2.810290      1.743925      5.521267
  N      -2.921982      0.602499      7.130615
  C      -1.701332      0.364461      7.893528
  C      -0.690964      1.465122      7.608003
  N      -0.654868      1.758624      6.149407
  C      -0.181784      3.133665      5.866100
  C      -1.224339      4.154987      6.347818
  C       0.100085      0.718732      5.399019
  C      -0.576368      0.499287      4.048181
  N      -2.007530      0.370354      4.252459
  H      -1.182336      5.046484      5.689496
  H      -0.960271      4.523124      7.363675
  H      -0.040209      3.202702      4.773967
  H       0.806086      3.324372      6.342098
  H      -0.139828     -0.389869      3.558829
  H      -0.348325      1.355069      3.382593
  H       0.041278     -0.214122      5.975967
  H       1.162683      0.997375      5.311783
  H      -1.893809      0.352638      8.981983
  H      -1.279209     -0.635703      7.655194
  H      -1.013290      2.386350      8.110889
  H       0.313346      1.198149      7.977449
  C      -3.462915      4.158917      7.317710
  C      -3.969856      5.560766      6.944328
  O      -4.887769      5.465473      5.824542
  C      -4.394113      5.660778      4.588167
  O      -3.246504      6.052829      4.352559
  C      -5.436645      5.346933      3.529334
  N      -6.554344      4.733227      3.951872
  C      -7.504896      4.422126      3.028363
  N      -7.478905      4.699766      1.733339
  C      -6.356438      5.345267      1.274418
  C      -6.296818      5.688839     -0.104210
  C      -5.176638      6.329113     -0.612052
  C      -4.075813      6.637446      0.239401
  C      -4.103371      6.323557      1.587705
  C      -5.246966      5.680588      2.146555
  C      -2.559071     -0.971095      4.189761
  C      -2.639069     -1.562578      2.772079
  O      -3.174734     -0.630133      1.800873
  C      -4.485264     -0.316864      1.919783
  O      -5.229295     -0.859148      2.687012
  C      -4.908936      0.772145      0.955193
  N      -6.236959      0.881676      0.852830
  C      -6.729620      1.764261     -0.047031
  N      -6.039008      2.496337     -0.909038
  C      -4.677056      2.436691     -0.797760
  C      -3.899546      3.243385     -1.669095
  C      -2.514266      3.286544     -1.543537
  C      -1.862532      2.521118     -0.539337
  C      -2.590734      1.696723      0.298610
  C      -4.019907      1.607189      0.184406
  C      -4.052300     -0.167120      7.620541
  C      -4.822319      0.508918      8.757793
  O      -5.543675      1.670902      8.280175
  C      -6.806107      1.432442      7.836324
  O      -7.355090      0.322046      7.844515
  C      -7.484935      2.709801      7.407996
  N      -7.012563      3.823927      7.949450
  C      -7.660991      4.969690      7.665692
  N      -8.730623      5.115716      6.921242
  C      -9.213186      3.982349      6.330774
  C     -10.337358      4.084322      5.496842
  C     -10.828561      2.966826      4.862278
  C     -10.216736      1.711512      5.028045
  C      -9.129319      1.576656      5.843714
  C      -8.609531      2.706321      6.530527
  H      -2.975702      4.263279      8.314164
  H      -4.338688      3.510516      7.458030
  H      -3.143329      6.261580      6.699844
  H      -4.578998      5.962508      7.781111
  H      -8.391367      3.898733      3.412208
  H      -7.150158      5.418277     -0.736042
  H      -5.133196      6.593534     -1.674522
  H      -3.193778      7.134680     -0.177516
  H      -3.260295      6.565489      2.238405
  H      -3.576844     -0.953125      4.606928
  H      -1.976466     -1.705046      4.798136
  H      -3.252633     -2.472557      2.787648
  H      -1.646030     -1.798103      2.373944
  H      -7.822025      1.866564     -0.063709
  H      -4.436339      3.840691     -2.413832
  H      -1.918275      3.919832     -2.205761
  H      -0.764937      2.580790     -0.432115
  H      -2.075037      1.099302      1.053497
  H      -4.754731     -0.365901      6.799530
  H      -3.715740     -1.152127      7.995612
  H      -5.534499     -0.196741      9.213173
  H      -4.140992      0.903689      9.526819
  H      -7.249650      5.873374      8.132003
  H     -10.775797      5.067278      5.373120
  H     -11.687881      3.049274      4.217674
  H     -10.602826      0.837243      4.498432
  H      -8.656789      0.613422      5.964773
  N      -2.559764      3.063626      3.513568
  H      -1.851899      2.727716      2.857258
  H      -2.388237      4.064749      3.688800
  H      -3.451858      3.014017      3.006653
  N      -4.724546      1.736281      5.130304
  N      -5.853225      1.727563      4.939704
101
Coordinates from ORCA-job orca E -6762.578986828170
  N      -2.574224      3.545889      6.371869
  Mo     -2.837964      1.739880      5.523481
  N      -2.925252      0.592415      7.127865
  C      -1.693707      0.363988      7.887121
  C      -0.687380      1.473157      7.598981
  N      -0.662807      1.771719      6.139030
  C      -0.205509      3.148135      5.844021
  C      -1.253689      4.151313      6.346431
  C       0.095795      0.741138      5.374473
  C      -0.594304      0.522429      4.020756
  N      -2.021492      0.377638      4.238630
  H      -1.218468      5.040442      5.701196
  H      -0.993023      4.503903      7.350695
  H      -0.089957      3.221442      4.746043
  H       0.789943      3.344598      6.298025
  H      -0.155715     -0.357389      3.516485
  H      -0.383359      1.381752      3.357059
  H       0.044810     -0.194564      5.948519
  H       1.159498      1.027043      5.280375
  H      -1.881582      0.344812      8.976582
  H      -1.267322     -0.631132      7.638685
  H      -1.011410      2.387510      8.110253
  H       0.324045      1.210536      7.960254
  C      -3.484847      4.155333      7.307201
  C      -3.974566      5.553212      6.926226
  O      -4.880369      5.467670      5.801035
  C      -4.375237      5.660061      4.568580
  O      -3.231433      6.047028      4.328314
  C      -5.403963      5.348682      3.525230
  N      -6.476295      4.739549      3.962001
  C      -7.415644      4.423331      3.056894
  N      -7.416399      4.697523      1.768018
  C      -6.329552      5.341448      1.298268
  C      -6.292073      5.684614     -0.071898
  C      -5.199865      6.318379     -0.593986
  C      -4.102558      6.623496      0.228392
  C      -4.110765      6.311999      1.573467
  C      -5.230366      5.676199      2.147376
  C      -2.560514     -0.963200      4.182044
  C      -2.642405     -1.549675      2.764268
  O      -3.185713     -0.610513      1.810439
  C      -4.495197     -0.297548      1.948255
  O      -5.259974     -0.855787      2.718241
  C      -4.917311      0.798869      0.987340
  N      -6.227028      0.918151      0.882653
  C      -6.708531      1.802750     -0.018698
  N      -6.017872      2.527047     -0.878492
  C      -4.667196      2.453645     -0.762778
  C      -3.880383      3.245545     -1.634227
  C      -2.510276      3.262369     -1.506931
  C      -1.879622      2.485608     -0.506867
  C      -2.616865      1.675210      0.331650
  C      -4.029838      1.618000      0.218672
  C      -4.049081     -0.188374      7.617527
  C      -4.825580      0.472969      8.754762
  O      -5.560680      1.635241      8.302972
  C      -6.816324      1.419449      7.857121
  O      -7.350146      0.329679      7.838930
  C      -7.486562      2.702461      7.439630
  N      -7.024179      3.829434      7.967391
  C      -7.669707      4.979996      7.649836
  N      -8.720376      5.128519      6.880495
  C      -9.196799      3.987082      6.312205
  C     -10.294048      4.093572      5.426944
  C     -10.774759      2.970404      4.795080
  C     -10.176239      1.704220      5.031681
  C      -9.116259      1.566834      5.897696
  C      -8.601918      2.701629      6.560972
  H      -2.998216      4.265255      8.301507
  H      -4.360514      3.512841      7.444604
  H      -3.146870      6.237992      6.688960
  H      -4.574748      5.955963      7.751055
  H      -8.276073      3.891552      3.444824
  H      -7.143178      5.413516     -0.686070
  H      -5.174165      6.581512     -1.653196
  H      -3.234739      7.115155     -0.201694
  H      -3.269689      6.554517      2.212612
  H      -3.572499     -0.952277      4.608381
  H      -1.969141     -1.690639      4.780864
  H      -3.252140     -2.467842      2.774563
  H      -1.645687     -1.776805      2.360101
  H      -7.789425      1.906966     -0.049776
  H      -4.400439      3.849015     -2.379511
  H      -1.908312      3.883489     -2.170121
  H      -0.793330      2.520879     -0.399843
  H      -2.119102      1.064914      1.078952
  H      -4.747453     -0.385622      6.794953
  H      -3.704672     -1.176494      7.987140
  H      -5.526601     -0.238839      9.196479
  H      -4.148936      0.854740      9.521929
  H      -7.261214      5.890414      8.095065
  H     -10.723416      5.086851      5.245973
  H     -11.612304      3.054061      4.091770
  H     -10.556385      0.826299      4.507949
  H      -8.649079      0.593571      6.069414
  N      -2.609982      3.079316      3.527076
  H      -1.893751      2.749645      2.843405
  H      -2.442310      4.099543      3.711701
  H      -3.516416      3.022864      3.032927
  N      -4.754431      1.717202      5.152061
  N      -5.891425      1.713826      4.982684
101
Coordinates from ORCA-job orca E -6762.581023623227
  N      -2.551323      3.560902      6.372204
  Mo     -2.818370      1.746225      5.523108
  N      -2.920356      0.606250      7.130622
  C      -1.689662      0.363626      7.884172
  C      -0.682323      1.465223      7.594143
  N      -0.656844      1.763214      6.137378
  C      -0.196851      3.135414      5.857789
  C      -1.228828      4.158478      6.360129
  C       0.098289      0.731447      5.377990
  C      -0.588673      0.514197      4.027668
  N      -2.017700      0.379848      4.241984
  H      -1.184255      5.072549      5.714309
  H      -0.956812      4.505495      7.395400
  H      -0.071807      3.210432      4.789210
  H       0.772993      3.321437      6.314509
  H      -0.150888     -0.371950      3.531782
  H      -0.369256      1.374044      3.362646
  H       0.049652     -0.204707      5.951624
  H       1.160696      1.016618      5.280201
  H      -1.875853      0.350625      8.975346
  H      -1.270619     -0.635491      7.634048
  H      -1.002321      2.383035      8.104690
  H       0.326504      1.196462      7.955771
  C      -3.459670      4.163343      7.320554
  C      -3.963196      5.561698      6.938248
  O      -4.881108      5.471280      5.833259
  C      -4.383519      5.650432      4.608349
  O      -3.241124      6.020333      4.372879
  C      -5.411611      5.338066      3.549274
  N      -6.504014      4.707973      3.964597
  C      -7.429456      4.377936      3.035150
  N      -7.397399      4.653919      1.740378
  C      -6.295513      5.324062      1.294757
  C      -6.233772      5.671823     -0.074459
  C      -5.135760      6.337427     -0.563214
  C      -4.056578      6.666565      0.288945
  C      -4.084849      6.347492      1.626722
  C      -5.211828      5.679260      2.172343
  C      -2.565577     -0.959770      4.180914
  C      -2.647045     -1.548373      2.761815
  O      -3.198138     -0.615050      1.805721
  C      -4.514697     -0.315246      1.936259
  O      -5.272686     -0.872300      2.705657
  C      -4.946337      0.771775      0.972088
  N      -6.269340      0.867586      0.865335
  C      -6.762945      1.749508     -0.030344
  N      -6.068161      2.493623     -0.881713
  C      -4.710196      2.440453     -0.765782
  C      -3.929538      3.253038     -1.632288
  C      -2.566159      3.286578     -1.517136
  C      -1.932530      2.513254     -0.528829
  C      -2.656776      1.689112      0.313024
  C      -4.064542      1.607327      0.207284
  C      -4.049740     -0.161656      7.629681
  C      -4.813741      0.516471      8.769086
  O      -5.541382      1.675459      8.294489
  C      -6.798013      1.442965      7.854259
  O      -7.325277      0.344592      7.859766
  C      -7.472544      2.719225      7.412727
  N      -7.000551      3.856849      7.940872
  C      -7.654173      5.004555      7.618056
  N      -8.722549      5.136086      6.841127
  C      -9.206097      3.984216      6.267620
  C     -10.330009      4.071661      5.400892
  C     -10.820601      2.934150      4.780113
  C     -10.204622      1.675128      4.998408
  C      -9.118781      1.555104      5.850706
  C      -8.599668      2.702353      6.517588
  H      -2.968023      4.270473      8.312989
  H      -4.336471      3.518565      7.466238
  H      -3.147889      6.241924      6.681412
  H      -4.556340      5.976508      7.757867
  H      -8.298330      3.824625      3.403194
  H      -7.072039      5.383215     -0.711404
  H      -5.092736      6.607295     -1.615154
  H      -3.188444      7.185752     -0.116289
  H      -3.258051      6.610647      2.283566
  H      -3.578775     -0.944170      4.603762
  H      -1.978953     -1.689118      4.782695
  H      -3.253758     -2.465822      2.778253
  H      -1.651821     -1.776177      2.358750
  H      -7.857062      1.834432     -0.060597
  H      -4.455960      3.852626     -2.367227
  H      -1.971049      3.920933     -2.180380
  H      -0.853963      2.561729     -0.432464
  H      -2.152609      1.086438      1.055873
  H      -4.757191     -0.358262      6.812658
  H      -3.708382     -1.147847      8.000080
  H      -5.521016     -0.186624      9.232598
  H      -4.127675      0.914701      9.530864
  H      -7.244280      5.922707      8.063726
  H     -10.770724      5.058678      5.238091
  H     -11.679185      3.005071      4.107966
  H     -10.590733      0.790600      4.485415
  H      -8.645037      0.586907      6.013436
  N      -2.577291      3.069445      3.520043
  H      -1.890397      2.718928      2.856735
  H      -2.381461      4.053919      3.687630
  H      -3.467363      3.042105      3.019423
  N      -4.724367      1.730868      5.142929
  N      -5.861242      1.717419      4.952921
101
Coordinates from ORCA-job orca E -6762.580075741296
  N      -2.569437      3.560603      6.374520
  Mo     -2.833545      1.742523      5.534188
  N      -2.921847      0.600180      7.144993
  C      -1.687455      0.373133      7.901235
  C      -0.681037      1.480279      7.609431
  N      -0.661107      1.771209      6.148509
  C      -0.200042      3.144198      5.845093
  C      -1.244953      4.153748      6.350243
  C       0.095470      0.742093      5.391509
  C      -0.594113      0.517704      4.040731
  N      -2.024354      0.379269      4.254433
  H      -1.207920      5.041868      5.703648
  H      -0.971977      4.505110      7.355992
  H      -0.093097      3.210102      4.734491
  H       0.814383      3.344481      6.292125
  H      -0.157839     -0.364255      3.546537
  H      -0.376663      1.371064      3.375015
  H       0.047408     -0.189180      5.970354
  H       1.160786      1.030105      5.295156
  H      -1.872756      0.360505      8.992912
  H      -1.263140     -0.622064      7.657045
  H      -1.001335      2.396148      8.118058
  H       0.330809      1.218971      7.971075
  C      -3.481763      4.167486      7.319551
  C      -3.971748      5.569914      6.939527
  O      -4.878972      5.495781      5.814922
  C      -4.373154      5.690915      4.591283
  O      -3.223137      6.073240      4.376243
  C      -5.401129      5.376236      3.515409
  N      -6.524121      4.755386      3.924942
  C      -7.460227      4.449734      2.996208
  N      -7.417924      4.743376      1.708620
  C      -6.288106      5.390716      1.259656
  C      -6.208471      5.736142     -0.116381
  C      -5.078557      6.369373     -0.620675
  C      -3.990496      6.670721      0.233578
  C      -4.039037      6.358350      1.581950
  C      -5.190766      5.717527      2.135740
  C      -2.561321     -0.958946      4.199084
  C      -2.645574     -1.560625      2.784893
  O      -3.197088     -0.639185      1.813489
  C      -4.508982     -0.322325      1.933554
  O      -5.259685     -0.869370      2.715293
  C      -4.937410      0.759773      0.958904
  N      -6.256709      0.862554      0.855856
  C      -6.765701      1.736832     -0.040724
  N      -6.095650      2.472171     -0.897472
  C      -4.736350      2.422114     -0.788185
  C      -3.979117      3.234044     -1.659194
  C      -2.602298      3.283410     -1.541235
  C      -1.936182      2.524049     -0.541821
  C      -2.641889      1.697875      0.299144
  C      -4.063984      1.597339      0.189187
  C      -4.043785     -0.180043      7.655163
  C      -4.808307      0.488361      8.795764
  O      -5.547895      1.638018      8.313867
  C      -6.807382      1.398821      7.872708
  O      -7.343333      0.298123      7.881574
  C      -7.479838      2.671675      7.434689
  N      -7.011337      3.780048      7.984676
  C      -7.656381      4.927647      7.682067
  N      -8.719688      5.078258      6.908954
  C      -9.200348      3.949745      6.312247
  C     -10.319586      4.056075      5.442726
  C     -10.806740      2.940935      4.797714
  C     -10.196452      1.685543      4.991412
  C      -9.113106      1.546590      5.844128
  C      -8.597413      2.672457      6.534802
  H      -2.996999      4.269489      8.318381
  H      -4.363843      3.528936      7.454918
  H      -3.146151      6.254423      6.705211
  H      -4.576767      5.975088      7.762247
  H      -8.347539      3.915418      3.367176
  H      -7.052390      5.470357     -0.751340
  H      -5.017496      6.630508     -1.684003
  H      -3.101667      7.161301     -0.182640
  H      -3.205767      6.594257      2.232966
  H      -3.568663     -0.943634      4.625928
  H      -1.972234     -1.678500      4.800286
  H      -3.252399     -2.476068      2.812345
  H      -1.651137     -1.792002      2.381115
  H      -7.853370      1.825504     -0.060075
  H      -4.526512      3.827260     -2.398947
  H      -2.023125      3.919301     -2.204919
  H      -0.845544      2.589224     -0.439853
  H      -2.112798      1.108960      1.053989
  H      -4.756514     -0.391238      6.840435
  H      -3.691097     -1.160185      8.032562
  H      -5.508577     -0.225052      9.265370
  H      -4.120529      0.896950      9.556398
  H      -7.249952      5.826457      8.147622
  H     -10.754995      5.039201      5.299566
  H     -11.661051      3.027387      4.124258
  H     -10.578262      0.816109      4.457714
  H      -8.647071      0.581810      5.986227
  N      -2.599979      3.052744      3.523901
  H      -1.885326      2.721444      2.881806
  H      -2.445297      4.045568      3.684822
  H      -3.481927      2.987656      3.012138
  N      -4.746356      1.717221      5.150418
  N      -5.872803      1.711594      4.960339
101
Coordinates from ORCA-job orca E -6762.582139211588
  N      -2.558250      3.558042      6.363385
  Mo     -2.826525      1.744655      5.519328
  N      -2.919089      0.603720      7.132800
  C      -1.689787      0.371340      7.887830
  C      -0.682175      1.474979      7.592478
  N      -0.657759      1.765036      6.132102
  C      -0.198201      3.142284      5.834107
  C      -1.231129      4.149657      6.353125
  C       0.094334      0.725402      5.374494
  C      -0.599256      0.492986      4.028161
  N      -2.029881      0.364845      4.249423
  H      -1.185637      5.055833      5.725272
  H      -0.963615      4.482951      7.372255
  H      -0.097823      3.216321      4.735568
  H       0.804281      3.335999      6.273649
  H      -0.168966     -0.401044      3.538537
  H      -0.376970      1.342416      3.351196
  H       0.047654     -0.204767      5.959198
  H       1.156136      1.011341      5.271442
  H      -1.873950      0.358570      8.978955
  H      -1.265827     -0.627698      7.646718
  H      -1.002233      2.395406      8.097034
  H       0.326174      1.210119      7.954484
  C      -3.470988      4.171031      7.300791
  C      -3.959687      5.574797      6.921445
  O      -4.875094      5.487228      5.802423
  C      -4.377237      5.658352      4.566799
  O      -3.231381      6.030969      4.322609
  C      -5.415595      5.347813      3.519213
  N      -6.505932      4.722585      3.947434
  C      -7.447973      4.399617      3.029989
  N      -7.436315      4.678601      1.736099
  C      -6.338049      5.341170      1.275437
  C      -6.293942      5.693815     -0.097145
  C      -5.195150      6.351623     -0.605439
  C      -4.099251      6.670176      0.235668
  C      -4.112445      6.347764      1.579905
  C      -5.237265      5.687965      2.140451
  C      -2.585771     -0.973901      4.192026
  C      -2.668463     -1.570068      2.777508
  O      -3.203299     -0.635614      1.808765
  C      -4.513237     -0.324322      1.928832
  O      -5.271076     -0.874726      2.692042
  C      -4.927912      0.771977      0.965451
  N      -6.248410      0.877102      0.841142
  C      -6.721413      1.770229     -0.058063
  N      -6.012838      2.520786     -0.893579
  C      -4.656529      2.460936     -0.758862
  C      -3.856922      3.279236     -1.605246
  C      -2.485943      3.304739     -1.466229
  C      -1.867846      2.511018     -0.476429
  C      -2.614996      1.679359      0.341610
  C      -4.029050      1.611881      0.216294
  C      -4.042211     -0.172588      7.627363
  C      -4.818475      0.495004      8.761876
  O      -5.550651      1.654587      8.296725
  C      -6.806850      1.426477      7.851321
  O      -7.345130      0.330733      7.845073
  C      -7.482900      2.704343      7.425306
  N      -7.016279      3.829169      7.946232
  C      -7.663505      4.975439      7.635049
  N      -8.724521      5.116696      6.880903
  C      -9.204566      3.974056      6.317340
  C     -10.314894      4.071373      5.450729
  C     -10.799168      2.946043      4.827812
  C     -10.193595      1.687034      5.050273
  C      -9.119899      1.557993      5.896353
  C      -8.603648      2.695498      6.554662
  H      -2.988896      4.275387      8.298517
  H      -4.352153      3.532140      7.436864
  H      -3.129050      6.260755      6.675107
  H      -4.559714      5.984360      7.751551
  H      -8.316126      3.858099      3.413016
  H      -7.143765      5.414532     -0.723540
  H      -5.165572      6.624771     -1.662171
  H      -3.230916      7.182393     -0.181783
  H      -3.272808      6.600884      2.229053
  H      -3.602076     -0.950639      4.610162
  H      -2.006740     -1.708221      4.800632
  H      -3.283874     -2.482275      2.794568
  H      -1.674649     -1.807885      2.378994
  H      -7.812062      1.862391     -0.104174
  H      -4.369645      3.893465     -2.343794
  H      -1.874736      3.944055     -2.112096
  H      -0.784183      2.550391     -0.364098
  H      -2.126876      1.058036      1.082671
  H      -4.742850     -0.375883      6.806804
  H      -3.698621     -1.157731      8.004161
  H      -5.522632     -0.213402      9.207194
  H      -4.143478      0.883796      9.529262
  H      -7.251546      5.885780      8.076394
  H     -10.749312      5.058664      5.280331
  H     -11.646234      3.023917      4.143274
  H     -10.575036      0.807329      4.532614
  H      -8.648484      0.591219      6.055876
  N      -2.586321      3.066494      3.513181
  H      -1.890218      2.734833      2.840899
  H      -2.406306      4.061575      3.691437
  H      -3.477249      3.029173      3.018616
  N      -4.742455      1.723918      5.148182
  N      -5.875652      1.707439      4.970293
101
Coordinates from ORCA-job orca E -6762.579278842444
  N      -2.565416      3.555513      6.385447
  Mo     -2.827681      1.744892      5.530915
  N      -2.928597      0.592110      7.126707
  C      -1.696981      0.343791      7.881300
  C      -0.687619      1.444995      7.602865
  N      -0.665989      1.757197      6.148542
  C      -0.212307      3.129553      5.877490
  C      -1.243102      4.154666      6.398671
  C       0.095150      0.736088      5.381579
  C      -0.589789      0.529243      4.028344
  N      -2.015597      0.389811      4.235166
  H      -1.186399      5.101065      5.768454
  H      -0.983434      4.476862      7.458098
  H      -0.098974      3.211631      4.810215
  H       0.759162      3.309018      6.326937
  H      -0.148104     -0.347896      3.527003
  H      -0.374782      1.390943      3.370699
  H       0.048533     -0.204469      5.944854
  H       1.155943      1.022872      5.291459
  H      -1.886055      0.320914      8.968610
  H      -1.280295     -0.651241      7.619467
  H      -1.007255      2.355019      8.125996
  H       0.324481      1.171243      7.959271
  C      -3.481071      4.163986      7.318337
  C      -3.956343      5.562471      6.927065
  O      -4.867919      5.488203      5.814445
  C      -4.369580      5.662266      4.589797
  O      -3.227830      6.034585      4.349277
  C      -5.398282      5.338154      3.542025
  N      -6.468949      4.701533      3.969699
  C      -7.397363      4.363846      3.054145
  N      -7.388034      4.639607      1.764397
  C      -6.304756      5.310589      1.304181
  C      -6.261572      5.650125     -0.065300
  C      -5.175696      6.309131     -0.576282
  C      -4.092816      6.644949      0.256837
  C      -4.106181      6.337794      1.598893
  C      -5.218029      5.672255      2.163518
  C      -2.558916     -0.947084      4.171340
  C      -2.634416     -1.531628      2.751234
  O      -3.186186     -0.596397      1.800129
  C      -4.500067     -0.291886      1.933268
  O      -5.265104     -0.850087      2.700602
  C      -4.930260      0.791856      0.964954
  N      -6.246785      0.884894      0.847746
  C      -6.747610      1.750380     -0.061630
  N      -6.066921      2.478847     -0.920095
  C      -4.710980      2.431546     -0.793046
  C      -3.942278      3.230391     -1.666699
  C      -2.571062      3.276043     -1.529706
  C      -1.920789      2.524906     -0.514843
  C      -2.638842      1.708445      0.326530
  C      -4.052706      1.618815      0.201517
  C      -4.058852     -0.175319      7.625662
  C      -4.815086      0.505795      8.768193
  O      -5.538470      1.665759      8.298047
  C      -6.804087      1.438889      7.867428
  O      -7.345792      0.338797      7.886575
  C      -7.468983      2.717153      7.423182
  N      -6.990564      3.848816      7.949657
  C      -7.633952      4.999213      7.627033
  N      -8.696113      5.141031      6.852075
  C      -9.185950      3.995681      6.279656
  C     -10.301259      4.095011      5.411590
  C     -10.797440      2.965007      4.785442
  C     -10.195669      1.700870      5.001830
  C      -9.118488      1.569072      5.857904
  C      -8.592850      2.709611      6.529611
  H      -2.999802      4.269392      8.315850
  H      -4.364267      3.528971      7.449916
  H      -3.132389      6.224238      6.678851
  H      -4.539552      5.983249      7.738397
  H      -8.252295      3.807453      3.433169
  H      -7.101756      5.356198     -0.688015
  H      -5.143674      6.566823     -1.634455
  H      -3.232580      7.157752     -0.166878
  H      -3.276713      6.604821      2.242989
  H      -3.572333     -0.932744      4.591856
  H      -1.973441     -1.674212      4.772207
  H      -3.239006     -2.452024      2.761616
  H      -1.635027     -1.752827      2.348330
  H      -7.835830      1.829942     -0.100374
  H      -4.478258      3.816263     -2.420125
  H      -1.983361      3.903292     -2.194356
  H      -0.832432      2.586523     -0.396864
  H      -2.123687      1.120806      1.088210
  H      -4.768553     -0.366985      6.811401
  H      -3.719092     -1.161886      7.990640
  H      -5.523374     -0.194202      9.237634
  H      -4.122521      0.900769      9.525575
  H      -7.220716      5.914364      8.073989
  H     -10.730389      5.086227      5.249051
  H     -11.650014      3.044552      4.109344
  H     -10.586476      0.819815      4.480775
  H      -8.654009      0.596660      6.018089
  N      -2.585920      3.077735      3.536781
  H      -1.858811      2.737415      2.879769
  H      -2.422165      4.093051      3.712294
  H      -3.484628      3.012409      3.021064
  N      -4.734500      1.724617      5.140947
  N      -5.871457      1.715943      4.955510
101
Coordinates from ORCA-job orca E -6762.582351967156
  N      -2.558275      3.560582      6.365536
  Mo     -2.825706      1.742621      5.525248
  N      -2.917393      0.605901      7.137207
  C      -1.684292      0.370055      7.890802
  C      -0.675460      1.472703      7.595186
  N      -0.655643      1.763652      6.135344
  C      -0.199057      3.136839      5.834174
  C      -1.229479      4.144702      6.353776
  C       0.095683      0.729873      5.374855
  C      -0.598281      0.502681      4.026806
  N      -2.027746      0.371451      4.244325
  H      -1.182191      5.046147      5.727563
  H      -0.952831      4.472722      7.369168
  H      -0.104250      3.207131      4.742345
  H       0.801766      3.334246      6.265482
  H      -0.164427     -0.386848      3.536787
  H      -0.377379      1.353790      3.353829
  H       0.051325     -0.201888      5.954925
  H       1.159337      1.016529      5.269669
  H      -1.868039      0.359393      8.983210
  H      -1.264926     -0.629050      7.644275
  H      -0.992687      2.390827      8.104338
  H       0.334987      1.206592      7.955254
  C      -3.469869      4.168644      7.307940
  C      -3.963577      5.572048      6.932168
  O      -4.875112      5.487528      5.816009
  C      -4.364803      5.670359      4.590777
  O      -3.214636      6.049065      4.362231
  C      -5.390623      5.348876      3.526791
  N      -6.475188      4.710630      3.946760
  C      -7.406992      4.385474      3.026481
  N      -7.389571      4.675658      1.737566
  C      -6.294225      5.349547      1.284036
  C      -6.243697      5.706039     -0.085043
  C      -5.148955      6.371563     -0.586027
  C      -4.063434      6.694287      0.255591
  C      -4.082420      6.369332      1.595067
  C      -5.203542      5.698104      2.149997
  C      -2.574302     -0.966501      4.189912
  C      -2.654360     -1.566601      2.775685
  O      -3.204433     -0.641551      1.810203
  C      -4.520914     -0.336696      1.934866
  O      -5.278640     -0.885817      2.708780
  C      -4.949410      0.746484      0.962688
  N      -6.264706      0.840041      0.845417
  C      -6.756279      1.727050     -0.046679
  N      -6.066124      2.484500     -0.881119
  C      -4.713488      2.435961     -0.754648
  C      -3.934293      3.268218     -1.598282
  C      -2.569804      3.311513     -1.466685
  C      -1.934321      2.526800     -0.484550
  C      -2.658974      1.683416      0.333741
  C      -4.068615      1.592707      0.211976
  C      -4.044715     -0.165258      7.642940
  C      -4.808286      0.514109      8.782232
  O      -5.545105      1.668343      8.301872
  C      -6.802423      1.431969      7.865306
  O      -7.328458      0.334236      7.875000
  C      -7.478493      2.706752      7.420700
  N      -7.013430      3.837573      7.962671
  C      -7.664688      4.984718      7.643105
  N      -8.725635      5.120646      6.855854
  C      -9.202715      3.974541      6.269027
  C     -10.319354      4.067731      5.399263
  C     -10.806059      2.936989      4.770351
  C     -10.192593      1.678401      4.980225
  C      -9.112828      1.552469      5.834241
  C      -8.598448      2.693727      6.513987
  H      -2.986880      4.267613      8.306126
  H      -4.351535      3.528282      7.442512
  H      -3.140484      6.257572      6.688270
  H      -4.566722      5.981584      7.755129
  H      -8.269593      3.828769      3.400701
  H      -7.086207      5.423098     -0.713347
  H      -5.112586      6.644691     -1.641054
  H      -3.197755      7.212543     -0.159625
  H      -3.250482      6.625534      2.242444
  H      -3.585717     -0.946640      4.612859
  H      -1.990158     -1.691147      4.795593
  H      -3.260373     -2.484020      2.798867
  H      -1.658574     -1.797083      2.374519
  H      -7.843791      1.806271     -0.087365
  H      -4.459873      3.878454     -2.326661
  H      -1.974438      3.963125     -2.109575
  H      -0.852399      2.585358     -0.372486
  H      -2.152922      1.074840      1.074819
  H      -4.754023     -0.370740      6.826957
  H      -3.699654     -1.148934      8.020133
  H      -5.511069     -0.194322      9.253349
  H      -4.118842      0.921310      9.541360
  H      -7.260513      5.898006      8.101474
  H     -10.758345      5.053409      5.244070
  H     -11.659884      3.012557      4.101064
  H     -10.575791      0.798466      4.461330
  H      -8.642634      0.584663      5.993698
  N      -2.588031      3.057712      3.517009
  H      -1.888028      2.712525      2.864637
  H      -2.407249      4.047072      3.684300
  H      -3.474614      3.016259      3.007629
  N      -4.733956      1.716774      5.149974
  N      -5.868414      1.704269      4.960263
101
Coordinates from ORCA-job orca E -6762.579517865840
  N      -2.557531      3.569053      6.375369
  Mo     -2.830850      1.753676      5.528899
  N      -2.922872      0.600770      7.136991
  C      -1.691912      0.359930      7.885066
  C      -0.683878      1.463054      7.598081
  N      -0.663502      1.762253      6.140640
  C      -0.200145      3.140675      5.850319
  C      -1.229163      4.155295      6.377227
  C       0.088813      0.727017      5.380251
  C      -0.605739      0.500320      4.035620
  N      -2.037459      0.374155      4.255400
  H      -1.178450      5.073820      5.753790
  H      -0.961948      4.481260      7.408373
  H      -0.103846      3.216608      4.744690
  H       0.811682      3.329426      6.289673
  H      -0.178312     -0.391493      3.541946
  H      -0.382622      1.352108      3.364036
  H       0.043507     -0.205351      5.961329
  H       1.149920      1.014872      5.280514
  H      -1.874028      0.338918      8.975393
  H      -1.269679     -0.636532      7.634356
  H      -1.000709      2.380156      8.111406
  H       0.324853      1.192675      7.954632
  C      -3.473744      4.187504      7.307635
  C      -3.949647      5.594727      6.922155
  O      -4.868319      5.519853      5.805701
  C      -4.384657      5.670921      4.571980
  O      -3.244338      6.014503      4.326064
  C      -5.428045      5.363926      3.525508
  N      -6.535145      4.729788      3.940591
  C      -7.471961      4.401408      3.009389
  N      -7.441456      4.681830      1.714086
  C      -6.329277      5.349369      1.264775
  C      -6.264365      5.694077     -0.114380
  C      -5.151834      6.354376     -0.612583
  C      -4.065181      6.683046      0.249822
  C      -4.098960      6.368083      1.599329
  C      -5.234408      5.704019      2.147380
  C      -2.597463     -0.962128      4.196773
  C      -2.680044     -1.559619      2.782436
  O      -3.211876     -0.626653      1.808840
  C      -4.518214     -0.310742      1.919436
  O      -5.277151     -0.862904      2.679755
  C      -4.928499      0.784406      0.951995
  N      -6.256934      0.878926      0.816195
  C      -6.736869      1.757430     -0.095723
  N      -6.031541      2.502907     -0.934827
  C      -4.667125      2.455972     -0.790989
  C      -3.876487      3.262048     -1.651344
  C      -2.501430      3.290399     -1.513574
  C      -1.869857      2.516558     -0.503471
  C      -2.606716      1.701674      0.331918
  C      -4.027488      1.624403      0.201318
  C      -4.045132     -0.172717      7.636467
  C      -4.817530      0.488192      8.772811
  O      -5.546245      1.645109      8.308513
  C      -6.801101      1.417088      7.859531
  O      -7.346075      0.323433      7.855281
  C      -7.471026      2.691270      7.430796
  N      -6.998614      3.807837      7.936824
  C      -7.642065      4.952931      7.619423
  N      -8.707377      5.096507      6.877479
  C      -9.194223      3.957760      6.330525
  C     -10.311040      4.052591      5.462602
  C     -10.797116      2.927363      4.848711
  C     -10.191426      1.672273      5.085264
  C      -9.111551      1.546027      5.933108
  C      -8.592781      2.682824      6.573284
  H      -2.996576      4.290563      8.309242
  H      -4.361458      3.556260      7.439379
  H      -3.115510      6.271098      6.674310
  H      -4.542122      6.010997      7.751561
  H      -8.346852      3.853288      3.381046
  H      -7.106446      5.407290     -0.755483
  H      -5.104990      6.619757     -1.674624
  H      -3.189963      7.196436     -0.158482
  H      -3.266414      6.626609      2.259558
  H      -3.615886     -0.932808      4.610591
  H      -2.024187     -1.699155      4.808417
  H      -3.298918     -2.467636      2.801140
  H      -1.687673     -1.801242      2.384626
  H      -7.834091      1.837851     -0.149542
  H      -4.400223      3.860288     -2.405755
  H      -1.899004      3.915536     -2.174576
  H      -0.786265      2.555982     -0.394795
  H      -2.109064      1.096521      1.090473
  H      -4.750848     -0.371530      6.819658
  H      -3.701423     -1.158060      8.007529
  H      -5.521359     -0.216937      9.214598
  H      -4.144809      0.872793      9.539145
  H      -7.224914      5.859820      8.045610
  H     -10.744543      5.037919      5.280133
  H     -11.647495      3.002869      4.153749
  H     -10.572766      0.791766      4.573116
  H      -8.639961      0.582101      6.097895
  N      -2.591573      3.067992      3.521117
  H      -1.874802      2.751570      2.858511
  H      -2.439675      4.068987      3.695429
  H      -3.477119      3.002764      3.018960
  N      -4.746344      1.732531      5.150244
  N      -5.875561      1.718662      4.973905
101
Coordinates from ORCA-job orca E -6762.583106583856
  N      -2.561035      3.561559      6.375237
  Mo     -2.829599      1.747375      5.528145
  N      -2.920083      0.599725      7.136097
  C      -1.687057      0.358189      7.886928
  C      -0.678873      1.461343      7.597176
  N      -0.659888      1.761483      6.138706
  C      -0.204623      3.138331      5.847896
  C      -1.233064      4.149257      6.378398
  C       0.094216      0.730306      5.374855
  C      -0.600983      0.505682      4.027993
  N      -2.030052      0.375184      4.246949
  H      -1.179188      5.073246      5.760026
  H      -0.966024      4.466889      7.411445
  H      -0.111939      3.217329      4.757261
  H       0.793245      3.327348      6.280327
  H      -0.167807     -0.382913      3.534823
  H      -0.381349      1.358207      3.356016
  H       0.052325     -0.203505      5.952684
  H       1.155370      1.018836      5.271759
  H      -1.870099      0.339502      8.977906
  H      -1.267429     -0.639041      7.634407
  H      -0.997028      2.376731      8.111248
  H       0.332053      1.192104      7.954025
  C      -3.479369      4.176134      7.306592
  C      -3.957648      5.580586      6.922574
  O      -4.868529      5.498122      5.800763
  C      -4.359599      5.667461      4.569261
  O      -3.208463      6.047803      4.333781
  C      -5.390663      5.343218      3.512973
  N      -6.476094      4.708474      3.943702
  C      -7.416163      4.383622      3.031319
  N      -7.407843      4.672457      1.742257
  C      -6.312104      5.340668      1.276767
  C      -6.271425      5.698581     -0.091530
  C      -5.174708      6.358194     -0.605990
  C      -4.078624      6.674888      0.224141
  C      -4.090046      6.351121      1.565648
  C      -5.212261      5.687073      2.133134
  C      -2.583020     -0.961678      4.188243
  C      -2.662769     -1.558216      2.773857
  O      -3.206486     -0.627356      1.807682
  C      -4.520090     -0.321741      1.926404
  O      -5.282689     -0.876389      2.691186
  C      -4.940069      0.766796      0.956287
  N      -6.258443      0.858433      0.824830
  C      -6.741884      1.741403     -0.078385
  N      -6.043580      2.494555     -0.911145
  C      -4.688032      2.448077     -0.770532
  C      -3.900653      3.271231     -1.616110
  C      -2.530523      3.312611     -1.469903
  C      -1.900809      2.531232     -0.473650
  C      -2.635859      1.695310      0.343874
  C      -4.049133      1.610609      0.210511
  C      -4.045439     -0.172215      7.639629
  C      -4.811613      0.503564      8.777269
  O      -5.544851      1.659188      8.303453
  C      -6.805540      1.425441      7.865006
  O      -7.345173      0.326160      7.876995
  C      -7.477130      2.700387      7.423925
  N      -7.003110      3.827198      7.943348
  C      -7.647272      4.973917      7.626423
  N      -8.711427      5.113963      6.867591
  C      -9.198211      3.970426      6.303013
  C     -10.312658      4.067424      5.435405
  C     -10.803628      2.940429      4.810745
  C     -10.200583      1.680983      5.031543
  C      -9.123219      1.551537      5.882345
  C      -8.600799      2.690232      6.544792
  H      -3.004362      4.277799      8.308059
  H      -4.364688      3.541188      7.434686
  H      -3.125352      6.258242      6.678471
  H      -4.555427      5.996934      7.745820
  H      -8.280713      3.833627      3.416940
  H      -7.121097      5.420924     -0.710033
  H      -5.146520      6.632935     -1.660381
  H      -3.211968      7.187673     -0.200750
  H      -3.250768      6.602278      2.205563
  H      -3.597625     -0.938790      4.605626
  H      -2.004468     -1.692597      4.795460
  H      -3.272952     -2.474506      2.791913
  H      -1.666571     -1.789267      2.374242
  H      -7.831558      1.819662     -0.130854
  H      -4.421779      3.877302     -2.357967
  H      -1.928610      3.956887     -2.114335
  H      -0.816398      2.585048     -0.353322
  H      -2.137213      1.086819      1.093215
  H      -4.753254     -0.375672      6.823614
  H      -3.700963     -1.156526      8.015484
  H      -5.515300     -0.202306      9.238647
  H      -4.127389      0.901417      9.538103
  H      -7.233333      5.885454      8.066977
  H     -10.743491      5.054891      5.267762
  H     -11.653613      3.018730      4.127665
  H     -10.586565      0.801175      4.511896
  H      -8.657000      0.583739      6.041323
  N      -2.590598      3.066347      3.524413
  H      -1.884271      2.732639      2.865516
  H      -2.419739      4.062539      3.696300
  H      -3.477155      3.017887      3.019041
  N      -4.742153      1.718830      5.153228
  N      -5.874998      1.695758      4.964848
101
Coordinates from ORCA-job orca E -6762.579019548897
  N      -2.557009      3.567069      6.365459
  Mo     -2.828094      1.748235      5.525867
  N      -2.919005      0.610535      7.134040
  C      -1.685542      0.372366      7.884558
  C      -0.675249      1.474538      7.590214
  N      -0.657121      1.764419      6.132093
  C      -0.196938      3.135315      5.829873
  C      -1.224888      4.140813      6.354773
  C       0.089238      0.731128      5.369652
  C      -0.609395      0.502396      4.023994
  N      -2.037619      0.374373      4.243985
  H      -1.176371      5.040058      5.734585
  H      -0.943973      4.460249      7.368010
  H      -0.108652      3.205480      4.735172
  H       0.812386      3.333696      6.255196
  H      -0.179966     -0.388241      3.534859
  H      -0.387097      1.350961      3.351295
  H       0.048017     -0.199244      5.949928
  H       1.152706      1.018691      5.259507
  H      -1.866659      0.359152      8.976792
  H      -1.269070     -0.625597      7.633852
  H      -0.989501      2.391916      8.099819
  H       0.333818      1.208382      7.949634
  C      -3.459215      4.178669      7.311282
  C      -3.944588      5.582031      6.934268
  O      -4.871538      5.517035      5.841398
  C      -4.386226      5.673793      4.619799
  O      -3.247560      6.007217      4.374191
  C      -5.420134      5.364425      3.570882
  N      -6.490758      4.700630      3.965700
  C      -7.400754      4.346603      3.018339
  N      -7.369689      4.622387      1.722317
  C      -6.291952      5.326938      1.299303
  C      -6.224629      5.665595     -0.079553
  C      -5.147643      6.366128     -0.545627
  C      -4.096375      6.742870      0.341119
  C      -4.127214      6.426942      1.684452
  C      -5.229858      5.718683      2.202279
  C      -2.583897     -0.962557      4.192678
  C      -2.663547     -1.568279      2.779559
  O      -3.208158     -0.646342      1.808744
  C      -4.522645     -0.337408      1.931558
  O      -5.275949     -0.876652      2.706980
  C      -4.950414      0.741726      0.955652
  N      -6.263764      0.831734      0.832965
  C      -6.756381      1.709978     -0.067298
  N      -6.068433      2.464449     -0.902998
  C      -4.717396      2.420125     -0.769938
  C      -3.940796      3.247154     -1.616686
  C      -2.576516      3.291373     -1.481024
  C      -1.938997      2.512262     -0.491537
  C      -2.662244      1.674368      0.329726
  C      -4.071743      1.583261      0.203828
  C      -4.044654     -0.162246      7.638134
  C      -4.806045      0.515434      8.778642
  O      -5.541069      1.671941      8.301314
  C      -6.795814      1.441126      7.865892
  O      -7.318966      0.348712      7.873236
  C      -7.469421      2.718057      7.416426
  N      -7.001585      3.851752      7.959543
  C      -7.645624      5.001805      7.627748
  N      -8.701340      5.136855      6.824345
  C      -9.181930      3.987055      6.239153
  C     -10.293139      4.080871      5.364493
  C     -10.784332      2.947167      4.745846
  C     -10.180227      1.683959      4.967193
  C      -9.104943      1.556979      5.823386
  C      -8.586580      2.702667      6.498642
  H      -2.969546      4.274812      8.307012
  H      -4.343309      3.546035      7.451037
  H      -3.131485      6.244356      6.673947
  H      -4.519992      5.999386      7.750851
  H      -8.248496      3.766176      3.366976
  H      -7.040748      5.340506     -0.743960
  H      -5.096934      6.625332     -1.609391
  H      -3.246101      7.291781     -0.045104
  H      -3.317684      6.720942      2.363697
  H      -3.594204     -0.939908      4.616089
  H      -2.001514     -1.685622      4.800233
  H      -3.271019     -2.482442      2.806934
  H      -1.669001     -1.803900      2.380410
  H      -7.843262      1.781864     -0.115951
  H      -4.468062      3.851750     -2.351644
  H      -1.983009      3.939140     -2.125923
  H      -0.855740      2.571467     -0.375779
  H      -2.155605      1.070864      1.077607
  H      -4.755132     -0.366251      6.823844
  H      -3.699450     -1.145730      8.011955
  H      -5.509871     -0.191812      9.248474
  H      -4.115990      0.920192      9.536896
  H      -7.237115      5.918774      8.082904
  H     -10.725350      5.069347      5.201680
  H     -11.634803      3.023599      4.080752
  H     -10.568010      0.802026      4.458294
  H      -8.642582      0.585716      5.995153
  N      -2.599181      3.052037      3.510304
  H      -1.874398      2.715539      2.864917
  H      -2.444926      4.059857      3.678021
  H      -3.491935      2.978433      2.990475
  N      -4.732389      1.720836      5.145211
  N      -5.867530      1.713081      4.962064
101
Coordinates from ORCA-job orca E -6762.583370330782
  N      -2.553695      3.566391      6.368251
  Mo     -2.822778      1.748507      5.526663
  N      -2.919437      0.606038      7.135513
  C      -1.688714      0.361333      7.886066
  C      -0.676936      1.461714      7.596065
  N      -0.654984      1.757610      6.137937
  C      -0.195314      3.133208      5.845669
  C      -1.221777      4.145736      6.375001
  C       0.095393      0.723089      5.375493
  C      -0.599734      0.494637      4.029486
  N      -2.030301      0.368808      4.248072
  H      -1.164788      5.067311      5.759454
  H      -0.952211      4.458906      7.407273
  H      -0.101694      3.208613      4.754388
  H       0.805616      3.323510      6.278360
  H      -0.170163     -0.398980      3.540697
  H      -0.375070      1.343272      3.353586
  H       0.052853     -0.208862      5.956420
  H       1.157601      1.011390      5.270137
  H      -1.871882      0.344443      8.977685
  H      -1.271347     -0.638032      7.635254
  H      -0.992696      2.379517      8.108280
  H       0.332195      1.191931      7.955049
  C      -3.468131      4.179963      7.305227
  C      -3.948604      5.587365      6.926305
  O      -4.863912      5.509997      5.809062
  C      -4.361990      5.668588      4.579570
  O      -3.212467      6.018555      4.341111
  C      -5.398003      5.354592      3.526688
  N      -6.479828      4.710481      3.950155
  C      -7.414700      4.379004      3.032228
  N      -7.402487      4.667119      1.742472
  C      -6.311244      5.346261      1.285049
  C      -6.266134      5.698909     -0.087065
  C      -5.175273      6.369881     -0.593602
  C      -4.089517      6.703745      0.247815
  C      -4.103677      6.382625      1.590476
  C      -5.218794      5.704147      2.149304
  C      -2.583390     -0.967880      4.192634
  C      -2.660452     -1.566471      2.778365
  O      -3.201571     -0.637956      1.809239
  C      -4.514678     -0.330265      1.927335
  O      -5.275238     -0.880124      2.696950
  C      -4.937404      0.754902      0.954401
  N      -6.255862      0.845031      0.827645
  C      -6.743677      1.729109     -0.070570
  N      -6.050782      2.487106     -0.901965
  C      -4.695327      2.441851     -0.766647
  C      -3.914012      3.268995     -1.611629
  C      -2.545477      3.309212     -1.475032
  C      -1.909365      2.525208     -0.485866
  C      -2.637535      1.687895      0.333734
  C      -4.051286      1.601349      0.206960
  C      -4.047930     -0.162770      7.635377
  C      -4.814012      0.511176      8.773637
  O      -5.546261      1.667422      8.300804
  C      -6.803393      1.433954      7.861016
  O      -7.336491      0.336653      7.867438
  C      -7.479449      2.708011      7.421738
  N      -7.013552      3.836112      7.951319
  C      -7.664087      4.982031      7.630197
  N      -8.726101      5.118956      6.854150
  C      -9.205378      3.973424      6.281779
  C     -10.323025      4.065326      5.414500
  C     -10.810646      2.934851      4.795355
  C     -10.198734      1.677502      5.015661
  C      -9.117768      1.553517      5.865903
  C      -8.601136      2.694901      6.530278
  H      -2.991278      4.275341      8.307182
  H      -4.355078      3.545885      7.433850
  H      -3.117092      6.266130      6.679837
  H      -4.545386      6.003135      7.752309
  H      -8.273936      3.818574      3.408834
  H      -7.108249      5.408342     -0.714253
  H      -5.142972      6.639337     -1.651679
  H      -3.227814      7.227030     -0.170011
  H      -3.271840      6.647175      2.236553
  H      -3.599253     -0.944058      4.609946
  H      -2.004807     -1.697353      4.803105
  H      -3.271703     -2.480460      2.797329
  H      -1.664650     -1.801194      2.380488
  H      -7.833160      1.804526     -0.118997
  H      -4.440179      3.876358     -2.347864
  H      -1.948568      3.955127     -2.120111
  H      -0.825435      2.578489     -0.372627
  H      -2.133395      1.078934      1.078879
  H      -4.754651     -0.363044      6.818243
  H      -3.706946     -1.148143      8.009644
  H      -5.518461     -0.195642      9.232659
  H      -4.130141      0.908162      9.535883
  H      -7.257050      5.894580      8.078515
  H     -10.761380      5.050707      5.249433
  H     -11.664860      3.008809      4.121776
  H     -10.582553      0.795851      4.503170
  H      -8.645723      0.587035      6.030063
  N      -2.579276      3.060916      3.519084
  H      -1.861691      2.726900      2.869343
  H      -2.413832      4.058385      3.693353
  H      -3.463689      3.004878      3.003318
  N      -4.733919      1.723247      5.152437
  N      -5.867424      1.707828      4.967512
101
Coordinates from ORCA-job orca E -6762.582266050438
  N      -2.584699      3.557395      6.371266
  Mo     -2.850635      1.739957      5.526149
  N      -2.925931      0.589741      7.134424
  C      -1.685921      0.354940      7.881628
  C      -0.683721      1.462394      7.590519
  N      -0.675016      1.765332      6.133094
  C      -0.232701      3.141092      5.831842
  C      -1.255780      4.140471      6.378847
  C       0.079796      0.742431      5.366951
  C      -0.620762      0.515540      4.022314
  N      -2.046004      0.378165      4.242815
  H      -1.197909      5.066822      5.777563
  H      -0.984842      4.438331      7.409881
  H      -0.166251      3.224336      4.737119
  H       0.775366      3.335010      6.239991
  H      -0.184042     -0.366294      3.529163
  H      -0.409045      1.367183      3.351734
  H       0.045872     -0.190472      5.943299
  H       1.139224      1.034663      5.258909
  H      -1.864340      0.333308      8.972313
  H      -1.264241     -0.636908      7.623369
  H      -1.002009      2.372123      8.108764
  H       0.330900      1.195045      7.943140
  C      -3.498826      4.178334      7.295293
  C      -3.955410      5.581869      6.901768
  O      -4.867182      5.522639      5.783719
  C      -4.356674      5.699518      4.552733
  O      -3.206752      6.094467      4.317337
  C      -5.382777      5.371567      3.490547
  N      -6.459490      4.709956      3.903602
  C      -7.384271      4.367665      2.975555
  N      -7.366222      4.658658      1.684133
  C      -6.280572      5.354321      1.237598
  C      -6.231719      5.713318     -0.131330
  C      -5.147747      6.406216     -0.621604
  C      -4.074068      6.756970      0.234066
  C      -4.092221      6.429382      1.574910
  C      -5.200897      5.729398      2.116877
  C      -2.590580     -0.958645      4.192114
  C      -2.675013     -1.569566      2.782345
  O      -3.225254     -0.647232      1.811061
  C      -4.539805     -0.340574      1.927681
  O      -5.303553     -0.890695      2.692371
  C      -4.954733      0.743489      0.949990
  N      -6.272235      0.828041      0.798183
  C      -6.749297      1.708734     -0.111720
  N      -6.040160      2.469993     -0.928841
  C      -4.684468      2.431968     -0.766556
  C      -3.886287      3.265699     -1.594785
  C      -2.518908      3.311713     -1.428361
  C      -1.902862      2.525173     -0.428961
  C      -2.647226      1.680342      0.372718
  C      -4.057115      1.591348      0.219243
  C      -4.044712     -0.186598      7.650127
  C      -4.800566      0.493827      8.790928
  O      -5.535114      1.646787      8.312944
  C      -6.800797      1.415904      7.886976
  O      -7.349078      0.322134      7.913797
  C      -7.461822      2.691970      7.438495
  N      -6.977602      3.818315      7.947495
  C      -7.614366      4.965794      7.630520
  N      -8.680453      5.107459      6.886822
  C      -9.176206      3.963374      6.329835
  C     -10.291376      4.059027      5.467210
  C     -10.785044      2.928399      4.839500
  C     -10.186326      1.667296      5.057287
  C      -9.109884      1.539527      5.907398
  C      -8.584984      2.681863      6.567575
  H      -3.026255      4.279862      8.297649
  H      -4.389622      3.554962      7.420235
  H      -3.123986      6.234974      6.654448
  H      -4.534471      6.008180      7.713281
  H      -8.241713      3.796449      3.348853
  H      -7.064918      5.410381     -0.769360
  H      -5.113873      6.683026     -1.674825
  H      -3.219475      7.298500     -0.171257
  H      -3.269368      6.707073      2.235054
  H      -3.597551     -0.934534      4.615109
  H      -2.009440     -1.679792      4.797908
  H      -3.280658     -2.489471      2.811377
  H      -1.678732     -1.799754      2.381631
  H      -7.841495      1.776826     -0.184712
  H      -4.397737      3.874648     -2.339748
  H      -1.909550      3.964104     -2.059702
  H      -0.821681      2.581768     -0.293166
  H      -2.158734      1.069002      1.125806
  H      -4.760270     -0.394458      6.840386
  H      -3.694100     -1.168446      8.026434
  H      -5.501420     -0.209692      9.266918
  H      -4.108208      0.899934      9.542956
  H      -7.192968      5.877661      8.061986
  H     -10.718392      5.047839      5.300771
  H     -11.635049      3.005378      4.154486
  H     -10.573529      0.784486      4.532494
  H      -8.645704      0.570838      6.061692
  N      -2.624843      3.056360      3.521549
  H      -1.915602      2.727124      2.866420
  H      -2.465993      4.054153      3.688696
  H      -3.509841      2.994606      3.015019
  N      -4.761197      1.695781      5.152108
  N      -5.895316      1.674630      4.973317
101
Coordinates from ORCA-job orca E -6762.583484176131
  N      -2.553225      3.565591      6.376666
  Mo     -2.830092      1.750687      5.528896
  N      -2.922610      0.602292      7.135582
  C      -1.690196      0.356902      7.885936
  C      -0.680253      1.457264      7.596917
  N      -0.661521      1.754617      6.139866
  C      -0.204147      3.128874      5.841904
  C      -1.220317      4.139478      6.385973
  C       0.087431      0.720582      5.377487
  C      -0.608409      0.497668      4.031548
  N      -2.037120      0.375192      4.248058
  H      -1.159758      5.063122      5.782770
  H      -0.943716      4.439622      7.418009
  H      -0.130802      3.205021      4.749104
  H       0.804038      3.319776      6.255311
  H      -0.178431     -0.393332      3.541169
  H      -0.383426      1.348534      3.359631
  H       0.044286     -0.213018      5.955051
  H       1.149104      1.005611      5.272272
  H      -1.873187      0.338392      8.976231
  H      -1.274232     -0.640911      7.630692
  H      -0.994899      2.373556      8.110980
  H       0.328806      1.184857      7.953884
  C      -3.470041      4.188443      7.302939
  C      -3.936946      5.596183      6.915904
  O      -4.850990      5.520603      5.799293
  C      -4.346978      5.673983      4.569406
  O      -3.197778      6.036005      4.326308
  C      -5.379369      5.343942      3.518658
  N      -6.448074      4.681342      3.943255
  C      -7.378379      4.335250      3.024870
  N      -7.373999      4.626551      1.735692
  C      -6.296423      5.325915      1.278762
  C      -6.260339      5.686252     -0.090312
  C      -5.180068      6.375738     -0.595996
  C      -4.096974      6.721591      0.243172
  C      -4.104042      6.395150      1.584475
  C      -5.208654      5.698562      2.142248
  C      -2.598677     -0.957956      4.189095
  C      -2.679003     -1.557723      2.776121
  O      -3.219909     -0.628155      1.809549
  C      -4.533230     -0.322091      1.925275
  O      -5.294663     -0.870726      2.689431
  C      -4.951602      0.762491      0.950863
  N      -6.269141      0.842165      0.803558
  C      -6.751470      1.720860     -0.104751
  N      -6.050427      2.482426     -0.927186
  C      -4.696241      2.447417     -0.770784
  C      -3.908267      3.278739     -1.606886
  C      -2.541493      3.329943     -1.446711
  C      -1.914715      2.553018     -0.443049
  C      -2.649490      1.710645      0.366592
  C      -4.060135      1.613598      0.216572
  C      -4.047467     -0.167975      7.641488
  C      -4.809148      0.511106      8.779885
  O      -5.541247      1.665801      8.304022
  C      -6.801570      1.431872      7.868645
  O      -7.339621      0.334916      7.887396
  C      -7.469763      2.705187      7.415807
  N      -6.989351      3.837702      7.922006
  C      -7.631490      4.983966      7.589597
  N      -8.699317      5.117416      6.826806
  C      -9.192848      3.967470      6.277422
  C     -10.313653      4.055762      5.413844
  C     -10.810616      2.920895      4.808090
  C     -10.206826      1.662356      5.041358
  C      -9.123529      1.541421      5.888953
  C      -8.596736      2.687578      6.536036
  H      -2.998868      4.286655      8.306685
  H      -4.361212      3.560957      7.428350
  H      -3.102632      6.265666      6.667708
  H      -4.530460      6.020467      7.736665
  H      -8.224977      3.756863      3.401495
  H      -7.099325      5.385850     -0.716890
  H      -5.154347      6.651371     -1.651749
  H      -3.243999      7.258875     -0.175472
  H      -3.274336      6.668413      2.230870
  H      -3.614255     -0.926349      4.604424
  H      -2.027211     -1.691994      4.798818
  H      -3.291056     -2.470933      2.797001
  H      -1.683723     -1.792502      2.376738
  H      -7.842244      1.785182     -0.172799
  H      -4.427387      3.881692     -2.353605
  H      -1.939800      3.980113     -2.084315
  H      -0.832431      2.615785     -0.310076
  H      -2.152690      1.106954      1.123103
  H      -4.757930     -0.370273      6.828193
  H      -3.702614     -1.151858      8.015542
  H      -5.512764     -0.191280      9.246788
  H      -4.122123      0.911114      9.536971
  H      -7.212024      5.901462      8.016132
  H     -10.744247      5.042911      5.236665
  H     -11.666172      2.992314      4.131812
  H     -10.597517      0.776919      4.537513
  H      -8.657265      0.574059      6.058859
  N      -2.587827      3.063758      3.524319
  H      -1.876930      2.729633      2.871057
  H      -2.419924      4.060085      3.696317
  H      -3.471347      3.011300      3.012834
  N      -4.739721      1.720714      5.153253
  N      -5.872305      1.692211      4.962633
101
Coordinates from ORCA-job orca E -6762.582757416072
  N      -2.573679      3.569319      6.356187
  Mo     -2.827450      1.743349      5.524330
  N      -2.914295      0.603575      7.137266
  C      -1.677697      0.360244      7.881497
  C      -0.663847      1.461696      7.585982
  N      -0.651069      1.762952      6.124936
  C      -0.205268      3.144005      5.835270
  C      -1.239191      4.148813      6.378287
  C       0.099854      0.734636      5.351089
  C      -0.607711      0.492455      4.009272
  N      -2.039407      0.360657      4.241354
  H      -1.174892      5.092364      5.777546
  H      -0.981907      4.441265      7.421599
  H      -0.118249      3.230447      4.742336
  H       0.795775      3.331925      6.266110
  H      -0.179318     -0.405248      3.523085
  H      -0.389566      1.333380      3.320082
  H       0.071164     -0.194843      5.937568
  H       1.161258      1.032323      5.232933
  H      -1.854066      0.341752      8.977293
  H      -1.260092     -0.639514      7.630023
  H      -0.977793      2.377158      8.105050
  H       0.351334      1.192408      7.938725
  C      -3.493437      4.180115      7.290577
  C      -3.970528      5.590268      6.918676
  O      -4.883524      5.521096      5.794656
  C      -4.376710      5.681468      4.568750
  O      -3.225352      6.020345      4.336153
  C      -5.409132      5.370403      3.507989
  N      -6.491147      4.719083      3.924873
  C      -7.420344      4.384358      2.999433
  N      -7.402147      4.675352      1.708896
  C      -6.311016      5.361908      1.258534
  C      -6.261938      5.718040     -0.112140
  C      -5.175313      6.401729     -0.607243
  C      -4.097865      6.747078      0.244821
  C      -4.115054      6.421662      1.584144
  C      -5.225359      5.727652      2.131819
  C      -2.582051     -0.980092      4.201118
  C      -2.653979     -1.591724      2.790798
  O      -3.198844     -0.672628      1.810213
  C      -4.514334     -0.367620      1.922509
  O      -5.283618     -0.920730      2.691216
  C      -4.933913      0.715514      0.941829
  N      -6.248879      0.803610      0.808674
  C      -6.729868      1.696188     -0.084548
  N      -6.034258      2.468592     -0.899389
  C      -4.681610      2.424572     -0.757072
  C      -3.894560      3.267989     -1.581859
  C      -2.527250      3.306952     -1.440988
  C      -1.898989      2.502337     -0.470393
  C      -2.632428      1.652054      0.332415
  C      -4.044975      1.569755      0.204036
  C      -4.043336     -0.166908      7.641099
  C      -4.809147      0.504309      8.782248
  O      -5.548842      1.659372      8.308646
  C      -6.807022      1.426633      7.873868
  O      -7.341354      0.331957      7.880518
  C      -7.482604      2.702845      7.443341
  N      -7.021693      3.821413      7.992337
  C      -7.667327      4.969551      7.684958
  N      -8.720601      5.118737      6.904573
  C      -9.195931      3.983072      6.312662
  C     -10.305019      4.088846      5.442767
  C     -10.790483      2.969681      4.802626
  C     -10.184738      1.709657      5.005316
  C      -9.112152      1.572377      5.858227
  C      -8.597267      2.702663      6.544328
  H      -3.022235      4.267238      8.295961
  H      -4.382416      3.547362      7.410144
  H      -3.134765      6.268562      6.680320
  H      -4.570212      6.002293      7.744921
  H      -8.279756      3.818967      3.369301
  H      -7.099273      5.421658     -0.745236
  H      -5.141709      6.676214     -1.661204
  H      -3.240421      7.283730     -0.161210
  H      -3.291051      6.698605      2.238485
  H      -3.597385     -0.958940      4.619499
  H      -1.998260     -1.699490      4.819983
  H      -3.261064     -2.510252      2.814865
  H      -1.656413     -1.825869      2.397480
  H      -7.815399      1.768244     -0.141651
  H      -4.415049      3.888459     -2.305977
  H      -1.924851      3.965044     -2.070230
  H      -0.816656      2.551750     -0.357243
  H      -2.133658      1.030707      1.065915
  H      -4.751090     -0.371259      6.822788
  H      -3.701498     -1.153051      8.019715
  H      -5.509053     -0.210043      9.242862
  H      -4.123071      0.904498      9.544950
  H      -7.263175      5.871819      8.150919
  H     -10.739590      5.074930      5.290892
  H     -11.638040      3.054164      4.126910
  H     -10.567082      0.836422      4.476031
  H      -8.644394      0.604406      6.009866
  N      -2.589838      3.060168      3.514948
  H      -1.860137      2.732516      2.872387
  H      -2.435825      4.061851      3.694900
  H      -3.472531      2.994550      2.991513
  N      -4.740111      1.697080      5.159595
  N      -5.876978      1.695166      4.991265
101
Coordinates from ORCA-job orca E -6762.583575792753
  N      -2.555281      3.571514      6.376586
  Mo     -2.824582      1.754165      5.532401
  N      -2.920448      0.602765      7.136449
  C      -1.690452      0.350580      7.884062
  C      -0.678252      1.451660      7.599946
  N      -0.655821      1.755325      6.143214
  C      -0.194394      3.133331      5.858938
  C      -1.221577      4.145524      6.389495
  C       0.093720      0.723668      5.375747
  C      -0.603810      0.499120      4.030998
  N      -2.033870      0.373750      4.250338
  H      -1.159169      5.069733      5.778295
  H      -0.955605      4.453745      7.423294
  H      -0.098807      3.213957      4.767553
  H       0.806552      3.320181      6.294947
  H      -0.174763     -0.393531      3.540162
  H      -0.378721      1.349141      3.357393
  H       0.055358     -0.210354      5.953506
  H       1.154427      1.013838      5.268345
  H      -1.872643      0.326136      8.975222
  H      -1.274849     -0.647439      7.626153
  H      -0.994108      2.366757      8.116218
  H       0.330144      1.179847      7.957833
  C      -3.472931      4.191175      7.305813
  C      -3.943587      5.597736      6.921383
  O      -4.861600      5.524366      5.806974
  C      -4.357762      5.679456      4.576940
  O      -3.207034      6.039022      4.335637
  C      -5.392235      5.353957      3.523854
  N      -6.466712      4.698760      3.948493
  C      -7.400195      4.359144      3.031377
  N      -7.393458      4.648597      1.742868
  C      -6.309572      5.338818      1.284241
  C      -6.268481      5.692781     -0.087871
  C      -5.183031      6.373906     -0.595006
  C      -4.100883      6.720534      0.247778
  C      -4.112603      6.400311      1.591342
  C      -5.219943      5.708016      2.148169
  C      -2.585542     -0.963696      4.193536
  C      -2.656653     -1.563984      2.779972
  O      -3.197337     -0.638115      1.807142
  C      -4.513340     -0.335676      1.920828
  O      -5.274762     -0.885332      2.689117
  C      -4.936656      0.744992      0.942867
  N      -6.255404      0.828068      0.810048
  C      -6.743050      1.710610     -0.090714
  N      -6.049324      2.476016     -0.915005
  C      -4.694309      2.436473     -0.774118
  C      -3.913115      3.270771     -1.612455
  C      -2.544899      3.312483     -1.473770
  C      -1.909527      2.521737     -0.490272
  C      -2.637777      1.679072      0.324009
  C      -4.050578      1.593628      0.197661
  C      -4.049329     -0.166731      7.632271
  C      -4.816030      0.506688      8.770533
  O      -5.545514      1.665385      8.299028
  C      -6.804297      1.434388      7.861685
  O      -7.343106      0.337783      7.871737
  C      -7.476613      2.710117      7.420760
  N      -7.004663      3.838154      7.943859
  C      -7.651212      4.985312      7.623104
  N      -8.716006      5.123168      6.856378
  C      -9.201161      3.977780      6.289356
  C     -10.320369      4.070819      5.424956
  C     -10.811589      2.940959      4.806486
  C     -10.202624      1.682607      5.026220
  C      -9.120681      1.557239      5.873726
  C      -8.600032      2.698370      6.535203
  H      -3.001563      4.287494      8.309348
  H      -4.362998      3.561281      7.430571
  H      -3.110864      6.264763      6.670696
  H      -4.532603      6.021084      7.742108
  H      -8.255196      3.792236      3.410668
  H      -7.108113      5.393795     -0.715705
  H      -5.152510      6.642627     -1.654519
  H      -3.244109      7.252998     -0.170037
  H      -3.283395      6.675148      2.238062
  H      -3.603179     -0.941380      4.606313
  H      -2.008263     -1.692869      4.806906
  H      -3.265515     -2.480361      2.797943
  H      -1.658344     -1.795864      2.385584
  H      -7.832699      1.778355     -0.147354
  H      -4.438808      3.882299     -2.345488
  H      -1.948003      3.963488     -2.113971
  H      -0.826250      2.574378     -0.377393
  H      -2.135173      1.065419      1.065172
  H      -4.755083     -0.364413      6.814264
  H      -3.709896     -1.153396      8.004582
  H      -5.521945     -0.198422      9.226566
  H      -4.133413      0.900767      9.533482
  H      -7.238690      5.897852      8.066662
  H     -10.756006      5.057039      5.259213
  H     -11.666252      3.015896      4.132229
  H     -10.588878      0.801271      4.512797
  H      -8.649705      0.590560      6.034790
  N      -2.584882      3.063379      3.524344
  H      -1.865994      2.733900      2.874498
  H      -2.421960      4.061027      3.701041
  H      -3.467444      3.006560      3.008095
  N      -4.735974      1.719681      5.157105
  N      -5.868846      1.696476      4.965690
101
Coordinates from ORCA-job orca E -6762.583293410293
  N      -2.557385      3.568156      6.374936
  Mo     -2.838898      1.753233      5.527214
  N      -2.925515      0.601524      7.132241
  C      -1.688423      0.353799      7.878185
  C      -0.678847      1.454257      7.590967
  N      -0.665056      1.756316      6.135243
  C      -0.212157      3.130046      5.837442
  C      -1.222842      4.137348      6.390565
  C       0.082894      0.727589      5.368946
  C      -0.620374      0.502639      4.025543
  N      -2.047086      0.377899      4.246526
  H      -1.155145      5.067061      5.797738
  H      -0.946308      4.423433      7.427111
  H      -0.150331      3.210795      4.745601
  H       0.797102      3.320299      6.240667
  H      -0.190906     -0.385225      3.534018
  H      -0.400353      1.352221      3.352904
  H       0.046109     -0.205367      5.946667
  H       1.143537      1.016121      5.258265
  H      -1.868048      0.330813      8.968997
  H      -1.274892     -0.641826      7.615682
  H      -0.991703      2.367012      8.110039
  H       0.332262      1.179704      7.944439
  C      -3.472939      4.192880      7.301858
  C      -3.934860      5.606672      6.921571
  O      -4.845112      5.535797      5.799320
  C      -4.338902      5.676801      4.570746
  O      -3.190739      6.031381      4.325824
  C      -5.369236      5.340356      3.521409
  N      -6.430539      4.667395      3.948763
  C      -7.356754      4.311104      3.028748
  N      -7.354184      4.602859      1.735973
  C      -6.284586      5.313637      1.277994
  C      -6.256428      5.679928     -0.087361
  C      -5.188382      6.386148     -0.587834
  C      -4.107868      6.741007      0.249695
  C      -4.106678      6.407762      1.586372
  C      -5.201691      5.697284      2.142724
  C      -2.608368     -0.953505      4.191039
  C      -2.695671     -1.562307      2.782450
  O      -3.237335     -0.637770      1.810257
  C      -4.546350     -0.326912      1.922609
  O      -5.309678     -0.870347      2.686007
  C      -4.960997      0.753716      0.942157
  N      -6.276232      0.827305      0.781009
  C      -6.755173      1.701789     -0.133658
  N      -6.050243      2.468859     -0.946041
  C      -4.696355      2.442238     -0.773572
  C      -3.902637      3.283157     -1.596013
  C      -2.536288      3.341000     -1.419991
  C      -1.915657      2.562142     -0.413288
  C      -2.656095      1.711366      0.383832
  C      -4.066275      1.607985      0.217728
  C      -4.049324     -0.168005      7.648117
  C      -4.802720      0.516723      8.789220
  O      -5.538548      1.667869      8.307767
  C      -6.798234      1.432872      7.871694
  O      -7.334616      0.338514      7.894248
  C      -7.461046      2.705075      7.409370
  N      -6.975831      3.838558      7.907533
  C      -7.611557      4.985001      7.567237
  N      -8.677814      5.118702      6.804963
  C      -9.176627      3.967582      6.263375
  C     -10.295651      4.055826      5.399438
  C     -10.796836      2.918823      4.800033
  C     -10.199509      1.658792      5.041874
  C      -9.118143      1.537922      5.890842
  C      -8.587108      2.686223      6.530366
  H      -3.001818      4.284433      8.307809
  H      -4.366295      3.568837      7.425324
  H      -3.096270      6.282665      6.681607
  H      -4.534711      6.026766      7.746461
  H      -8.197255      3.723264      3.407916
  H      -7.093413      5.373277     -0.712420
  H      -5.171523      6.669653     -1.636538
  H      -3.265603      7.292419     -0.165040
  H      -3.279578      6.689142      2.233462
  H      -3.617909     -0.919331      4.610179
  H      -2.037510     -1.683359      4.797318
  H      -3.309338     -2.474149      2.811881
  H      -1.703420     -1.801786      2.381934
  H      -7.845923      1.757678     -0.215595
  H      -4.416650      3.888580     -2.344042
  H      -1.930330      3.999011     -2.046849
  H      -0.833404      2.630346     -0.267059
  H      -2.163814      1.106575      1.143343
  H      -4.766087     -0.374560      6.838991
  H      -3.702090     -1.150317      8.024995
  H      -5.503815     -0.185832      9.270942
  H      -4.106733      0.925419      9.539788
  H      -7.188029      5.903424      7.986246
  H     -10.720782      5.044289      5.216213
  H     -11.651229      2.989904      4.123184
  H     -10.593455      0.771391      4.542664
  H      -8.657180      0.568984      6.067787
  N      -2.600019      3.059571      3.520638
  H      -1.887709      2.728504      2.869035
  H      -2.439298      4.056830      3.687673
  H      -3.483071      2.998181      3.008951
  N      -4.745081      1.716199      5.150064
  N      -5.877507      1.688080      4.964296
101
Coordinates from ORCA-job orca E -6762.583687840885
  N      -2.549369      3.570815      6.376690
  Mo     -2.827691      1.753118      5.532328
  N      -2.921957      0.603900      7.138860
  C      -1.688873      0.353807      7.886827
  C      -0.675572      1.452667      7.596842
  N      -0.658538      1.751689      6.139128
  C      -0.200682      3.126930      5.841162
  C      -1.212297      4.136204      6.395849
  C       0.087547      0.717520      5.373728
  C      -0.613303      0.489617      4.030947
  N      -2.042497      0.371234      4.250897
  H      -1.142497      5.069923      5.805273
  H      -0.937733      4.419992      7.433689
  H      -0.135624      3.206402      4.747280
  H       0.809826      3.316053      6.247797
  H      -0.186178     -0.405441      3.543997
  H      -0.386414      1.336140      3.352612
  H       0.049118     -0.214606      5.954127
  H       1.148486      1.004673      5.262139
  H      -1.869860      0.333459      8.978389
  H      -1.276272     -0.645341      7.629411
  H      -0.987670      2.368833      8.112902
  H       0.334633      1.178278      7.951594
  C      -3.466275      4.199398      7.300882
  C      -3.922971      5.611460      6.915297
  O      -4.840692      5.541057      5.800312
  C      -4.339180      5.680497      4.568393
  O      -3.189722      6.029591      4.318150
  C      -5.375591      5.344963      3.522922
  N      -6.432928      4.667670      3.951215
  C      -7.364974      4.311493      3.037883
  N      -7.371625      4.604816      1.750576
  C      -6.304587      5.317566      1.288701
  C      -6.278067      5.675745     -0.082221
  C      -5.207820      6.377069     -0.593197
  C      -4.126367      6.740389      0.242725
  C      -4.124569      6.416897      1.585166
  C      -5.217184      5.704489      2.147218
  C      -2.608096     -0.960875      4.193652
  C      -2.681486     -1.564161      2.781341
  O      -3.221582     -0.636029      1.809887
  C      -4.537142     -0.335394      1.917239
  O      -5.304989     -0.888083      2.676841
  C      -4.954246      0.747419      0.938049
  N      -6.269831      0.816278      0.778942
  C      -6.749558      1.697451     -0.128532
  N      -6.047436      2.473432     -0.935796
  C      -4.695260      2.448484     -0.767581
  C      -3.906602      3.294190     -1.588397
  C      -2.542329      3.350599     -1.420934
  C      -1.917976      2.566372     -0.423120
  C      -2.652755      1.713691      0.375151
  C      -4.062160      1.609821      0.215826
  C      -4.048053     -0.165776      7.644355
  C      -4.810993      0.514623      8.780703
  O      -5.544076      1.668153      8.301450
  C      -6.804246      1.433457      7.864920
  O      -7.343949      0.336910      7.887659
  C      -7.469065      2.705919      7.406781
  N      -6.983574      3.837358      7.908890
  C      -7.619012      4.984496      7.572816
  N      -8.684645      5.120976      6.809234
  C      -9.183802      3.972274      6.263323
  C     -10.302136      4.064230      5.398580
  C     -10.805091      2.930823      4.794059
  C     -10.209985      1.670084      5.030817
  C      -9.129381      1.545500      5.881248
  C      -8.595981      2.690539      6.526676
  H      -2.996637      4.291674      8.306434
  H      -4.362381      3.578517      7.424021
  H      -3.084132      6.274854      6.664012
  H      -4.510369      6.041476      7.737059
  H      -8.202158      3.721984      3.417354
  H      -7.115572      5.363279     -0.706449
  H      -5.188622      6.649254     -1.651074
  H      -3.281805      7.288413     -0.179912
  H      -3.295500      6.702538      2.227595
  H      -3.626669     -0.925340      4.602949
  H      -2.041932     -1.695617      4.809741
  H      -3.293010     -2.479218      2.800057
  H      -1.683723     -1.798276      2.386821
  H      -7.839179      1.750512     -0.208914
  H      -4.423520      3.902534     -2.330585
  H      -1.940221      4.010278     -2.048093
  H      -0.837672      2.632271     -0.285587
  H      -2.157613      1.106385      1.129050
  H      -4.757650     -0.369466      6.830231
  H      -3.704001     -1.149559      8.020951
  H      -5.513562     -0.188797      9.248898
  H      -4.124001      0.916700      9.537587
  H      -7.194974      5.900132      7.996239
  H     -10.726141      5.052562      5.219054
  H     -11.658701      3.004940      4.116928
  H     -10.605338      0.785325      4.527348
  H      -8.670060      0.576311      6.055201
  N      -2.580894      3.061293      3.527535
  H      -1.863898      2.728585      2.879899
  H      -2.416697      4.058684      3.701219
  H      -3.462503      3.004735      3.009632
  N      -4.735573      1.713057      5.156381
  N      -5.868919      1.680395      4.965344
101
Coordinates from ORCA-job orca E -6762.583493985884
  N      -2.553732      3.577792      6.387944
  Mo     -2.825883      1.763249      5.536732
  N      -2.923474      0.601821      7.134296
  C      -1.692163      0.338168      7.876832
  C      -0.676260      1.438336      7.602367
  N      -0.651345      1.753229      6.147802
  C      -0.186025      3.132690      5.877657
  C      -1.218596      4.148252      6.402423
  C       0.096256      0.725833      5.371675
  C      -0.607185      0.507449      4.027454
  N      -2.036615      0.380844      4.251667
  H      -1.152897      5.073077      5.787051
  H      -0.957279      4.458839      7.437189
  H      -0.077449      3.220941      4.788274
  H       0.810761      3.311987      6.328218
  H      -0.179801     -0.382660      3.529919
  H      -0.384198      1.360736      3.358045
  H       0.062143     -0.211069      5.945141
  H       1.157123      1.017837      5.260732
  H      -1.872063      0.303005      8.968686
  H      -1.280253     -0.658149      7.607319
  H      -0.990964      2.350279      8.126059
  H       0.331746      1.161919      7.959500
  C      -3.472708      4.201070      7.313317
  C      -3.940704      5.606421      6.925771
  O      -4.860522      5.533998      5.811542
  C      -4.353938      5.681305      4.581904
  O      -3.201376      6.043232      4.340528
  C      -5.385261      5.343396      3.526952
  N      -6.456039      4.681045      3.956112
  C      -7.386238      4.331187      3.037690
  N      -7.379198      4.617490      1.744610
  C      -6.300574      5.316918      1.283554
  C      -6.264789      5.674676     -0.086175
  C      -5.188273      6.369390     -0.590110
  C      -4.109035      6.725615      0.252074
  C      -4.115223      6.401293      1.591841
  C      -5.214796      5.696864      2.147794
  C      -2.585427     -0.956746      4.193442
  C      -2.655583     -1.557197      2.780979
  O      -3.194628     -0.633866      1.806340
  C      -4.510538     -0.333540      1.919490
  O      -5.268494     -0.878975      2.690983
  C      -4.936844      0.740041      0.935684
  N      -6.255672      0.816126      0.799620
  C      -6.745370      1.693466     -0.105220
  N      -6.053507      2.464200     -0.925790
  C      -4.698492      2.431372     -0.781606
  C      -3.918664      3.272516     -1.615116
  C      -2.549129      3.317890     -1.475161
  C      -1.912323      2.522418     -0.497045
  C      -2.639784      1.675533      0.314239
  C      -4.052843      1.588924      0.189000
  C      -4.054799     -0.167346      7.626137
  C      -4.821488      0.503581      8.766293
  O      -5.548131      1.665404      8.298004
  C      -6.803744      1.437915      7.855918
  O      -7.341646      0.343837      7.860757
  C      -7.473823      2.714990      7.414442
  N      -6.997945      3.843558      7.934480
  C      -7.640809      4.992448      7.608306
  N      -8.706100      5.130973      6.838458
  C      -9.196368      3.984665      6.277541
  C     -10.317768      4.078751      5.416719
  C     -10.816325      2.948451      4.812137
  C     -10.211757      1.688522      5.039374
  C      -9.126632      1.561879      5.879214
  C      -8.599359      2.703562      6.530049
  H      -3.003833      4.298196      8.317264
  H      -4.364232      3.572704      7.436774
  H      -3.107259      6.269012      6.673722
  H      -4.527945      6.033653      7.743586
  H      -8.237495      3.758213      3.420589
  H      -7.102443      5.369760     -0.712225
  H      -5.163244      6.642428     -1.645330
  H      -3.260415      7.270073     -0.162796
  H      -3.288770      6.684705      2.238218
  H      -3.602049     -0.936406      4.606365
  H      -2.007160     -1.684811      4.805270
  H      -3.264335     -2.471923      2.800387
  H      -1.658208     -1.789436      2.386752
  H      -7.834538      1.753518     -0.167260
  H      -4.445840      3.886498     -2.345263
  H      -1.952637      3.974351     -2.111251
  H      -0.828260      2.576120     -0.384861
  H      -2.136049      1.061769      1.054756
  H      -4.760439     -0.361311      6.806799
  H      -3.717680     -1.156112      7.995421
  H      -5.529501     -0.200676      9.218249
  H      -4.139632      0.893195      9.531198
  H      -7.223842      5.905983      8.047361
  H     -10.749974      5.066398      5.246080
  H     -11.673667      3.024174      4.144606
  H     -10.604436      0.807083      4.539278
  H      -8.660195      0.593538      6.048061
  N      -2.593914      3.070734      3.527393
  H      -1.871893      2.747241      2.874645
  H      -2.435928      4.070703      3.705855
  H      -3.476748      3.010791      3.013163
  N      -4.735311      1.723261      5.161331
  N      -5.866336      1.697063      4.965303
101
Coordinates from ORCA-job orca E -6762.583801720238
  N      -2.550728      3.578108      6.384420
  Mo     -2.827512      1.763480      5.536103
  N      -2.923785      0.603421      7.134438
  C      -1.692258      0.341577      7.877760
  C      -0.678042      1.442123      7.600709
  N      -0.655234      1.753839      6.145618
  C      -0.189698      3.131961      5.869089
  C      -1.214530      4.145468      6.400172
  C       0.091542      0.725109      5.372842
  C      -0.611537      0.504805      4.029852
  N      -2.040247      0.380255      4.252614
  H      -1.145722      5.070175      5.792193
  H      -0.949608      4.448459      7.434865
  H      -0.091629      3.217981      4.779289
  H       0.809254      3.313707      6.308263
  H      -0.184255     -0.385651      3.534857
  H      -0.388007      1.356642      3.358631
  H       0.056634     -0.210527      5.947878
  H       1.151703      1.016224      5.261790
  H      -1.872453      0.307916      8.969057
  H      -1.280642     -0.654890      7.609336
  H      -0.992727      2.354068      8.122462
  H       0.330383      1.166713      7.957198
  C      -3.467381      4.203654      7.311108
  C      -3.929607      5.614313      6.927828
  O      -4.848456      5.544248      5.812491
  C      -4.345513      5.681258      4.581526
  O      -3.195014      6.029536      4.333827
  C      -5.380365      5.345581      3.533601
  N      -6.441741      4.672707      3.960850
  C      -7.371504      4.317493      3.044580
  N      -7.372608      4.607853      1.755778
  C      -6.301992      5.316460      1.295611
  C      -6.270060      5.672276     -0.075389
  C      -5.196578      6.369593     -0.583955
  C      -4.117952      6.732791      0.255553
  C      -4.122071      6.412569      1.598727
  C      -5.216910      5.702621      2.157256
  C      -2.594085     -0.955688      4.195312
  C      -2.664336     -1.558723      2.783172
  O      -3.204055     -0.634755      1.807172
  C      -4.519480     -0.334618      1.915623
  O      -5.282536     -0.881758      2.683384
  C      -4.943125      0.740010      0.930804
  N      -6.260500      0.812791      0.786733
  C      -6.747665      1.689613     -0.120138
  N      -6.053385      2.462065     -0.936308
  C      -4.699278      2.433007     -0.783714
  C      -3.917206      3.276052     -1.612882
  C      -2.549109      3.325910     -1.463164
  C      -1.915528      2.534315     -0.478699
  C      -2.645432      1.684399      0.327313
  C      -4.057285      1.592548      0.191434
  C      -4.054106     -0.165135      7.631515
  C      -4.817180      0.510865      8.771255
  O      -5.545945      1.669188      8.297065
  C      -6.804397      1.437785      7.856651
  O      -7.344161      0.342096      7.869300
  C      -7.471964      2.712906      7.407832
  N      -6.991069      3.842927      7.918671
  C      -7.630978      4.990996      7.591398
  N      -8.698184      5.128818      6.830300
  C      -9.193035      3.981446      6.275542
  C     -10.313886      4.074662      5.413456
  C     -10.813092      2.942706      4.801271
  C     -10.211450      1.682382      5.028323
  C      -9.128607      1.556689      5.875794
  C      -8.598862      2.700114      6.527810
  H      -2.997689      4.295899      8.316136
  H      -4.361186      3.578620      7.433876
  H      -3.092021      6.280774      6.677907
  H      -4.518968      6.040571      7.750950
  H      -8.214370      3.734402      3.424563
  H      -7.106165      5.360862     -0.701344
  H      -5.172956      6.638573     -1.642269
  H      -3.271269      7.278995     -0.163730
  H      -3.295548      6.700041      2.243881
  H      -3.610916     -0.930702      4.606678
  H      -2.019909     -1.685435      4.808549
  H      -3.273480     -2.474642      2.802064
  H      -1.666299     -1.791263      2.390100
  H      -7.837166      1.745979     -0.188778
  H      -4.441372      3.888154     -2.346787
  H      -1.951105      3.984123     -2.095761
  H      -0.832078      2.592695     -0.357441
  H      -2.144550      1.071881      1.070623
  H      -4.762235     -0.362453      6.814334
  H      -3.715453     -1.152205      8.003894
  H      -5.523449     -0.193568      9.232918
  H      -4.130399      0.907489      9.532119
  H      -7.210167      5.904960      8.023602
  H     -10.743278      5.062609      5.241688
  H     -11.668415      3.017725      4.125596
  H     -10.603751      0.799021      4.519234
  H      -8.663996      0.588079      6.042403
  N      -2.590758      3.065816      3.527578
  H      -1.872288      2.738661      2.877555
  H      -2.430479      4.063444      3.701919
  H      -3.472704      3.005988      3.012370
  N      -4.736066      1.721202      5.159096
  N      -5.867782      1.688321      4.962918
101
Coordinates from ORCA-job orca E -6762.583851256370
  N      -2.545553      3.575194      6.378413
  Mo     -2.827864      1.757192      5.533623
  N      -2.923756      0.606905      7.139066
  C      -1.690045      0.352396      7.883682
  C      -0.674761      1.449601      7.594876
  N      -0.659302      1.749536      6.137857
  C      -0.200365      3.123632      5.840494
  C      -1.204223      4.131401      6.408220
  C       0.083190      0.715431      5.370672
  C      -0.622269      0.484289      4.030370
  N      -2.051128      0.368693      4.252827
  H      -1.125319      5.074312      5.832569
  H      -0.929611      4.394996      7.453291
  H      -0.145299      3.206193      4.745716
  H       0.814674      3.309780      6.238930
  H      -0.198659     -0.412412      3.545004
  H      -0.394949      1.327400      3.348777
  H       0.047642     -0.215092      5.953286
  H       1.143619      1.003929      5.254877
  H      -1.868386      0.328923      8.975572
  H      -1.279639     -0.646578      7.623271
  H      -0.984295      2.365233      8.112287
  H       0.335072      1.173506      7.948714
  C      -3.460287      4.209335      7.300281
  C      -3.907200      5.624647      6.915676
  O      -4.827528      5.560839      5.801980
  C      -4.324660      5.687981      4.569481
  O      -3.173865      6.035984      4.315552
  C      -5.360693      5.340806      3.526245
  N      -6.405510      4.645643      3.956892
  C      -7.334591      4.277298      3.044716
  N      -7.348885      4.575804      1.757365
  C      -6.294530      5.306987      1.293639
  C      -6.277890      5.672101     -0.075815
  C      -5.221298      6.393547     -0.585855
  C      -4.144271      6.771423      0.249075
  C      -4.133647      6.441466      1.589803
  C      -5.211865      5.707887      2.150942
  C      -2.618100     -0.961215      4.196969
  C      -2.689109     -1.570007      2.786879
  O      -3.227845     -0.645762      1.810311
  C      -4.542803     -0.345401      1.913126
  O      -5.310478     -0.894449      2.673672
  C      -4.959785      0.732814      0.927630
  N      -6.274969      0.789470      0.755856
  C      -6.754930      1.668583     -0.153170
  N      -6.053241      2.457593     -0.947383
  C      -4.701071      2.445568     -0.766096
  C      -3.913052      3.304077     -1.574006
  C      -2.549905      3.367614     -1.398220
  C      -1.925828      2.578366     -0.403847
  C      -2.660134      1.715195      0.383263
  C      -4.068625      1.604906      0.215793
  C      -4.050368     -0.161375      7.644207
  C      -4.812376      0.520591      8.779298
  O      -5.543130      1.674425      8.299255
  C      -6.802095      1.440515      7.862639
  O      -7.342976      0.345693      7.889530
  C      -7.465494      2.711609      7.397634
  N      -6.980376      3.845161      7.895359
  C      -7.614883      4.991343      7.551385
  N      -8.679558      5.124953      6.783098
  C      -9.179352      3.973424      6.243357
  C     -10.298585      4.061494      5.379800
  C     -10.804416      2.924637      4.787601
  C     -10.210092      1.664514      5.032641
  C      -9.127851      1.544140      5.879805
  C      -8.592345      2.692650      6.515920
  H      -2.992618      4.296837      8.307945
  H      -4.361048      3.594710      7.420734
  H      -3.065006      6.282204      6.662807
  H      -4.490054      6.058976      7.737567
  H      -8.161376      3.673020      3.426321
  H      -7.111874      5.349304     -0.698600
  H      -5.209890      6.670984     -1.641519
  H      -3.311130      7.336418     -0.172208
  H      -3.308268      6.738066      2.231967
  H      -3.636374     -0.922408      4.604034
  H      -2.055644     -1.693950      4.816261
  H      -3.301104     -2.484674      2.807980
  H      -1.691181     -1.806751      2.394337
  H      -7.844983      1.707889     -0.246310
  H      -4.430294      3.914451     -2.314737
  H      -1.948409      4.035594     -2.016479
  H      -0.846646      2.647884     -0.261649
  H      -2.166637      1.102367      1.132087
  H      -4.760002     -0.364776      6.830259
  H      -3.708397     -1.145201      8.021773
  H      -5.515605     -0.181338      9.246692
  H      -4.125807      0.921714      9.535693
  H      -7.190801      5.908674      7.971790
  H     -10.722434      5.049237      5.194707
  H     -11.659722      2.995412      4.115587
  H     -10.608028      0.776983      4.539882
  H      -8.669354      0.575277      6.061495
  N      -2.579474      3.060410      3.526374
  H      -1.856430      2.731804      2.882844
  H      -2.422911      4.059383      3.700077
  H      -3.459289      2.995532      3.004067
  N      -4.734009      1.711831      5.154373
  N      -5.868515      1.678942      4.966667
101
Coordinates from ORCA-job orca E -6762.583977775647
  N      -2.537780      3.581033      6.389120
  Mo     -2.825123      1.765694      5.539251
  N      -2.926197      0.605362      7.138383
  C      -1.693811      0.339471      7.881254
  C      -0.675303      1.435882      7.601805
  N      -0.654441      1.745821      6.146167
  C      -0.186751      3.121086      5.861220
  C      -1.195726      4.134704      6.414800
  C       0.086588      0.712940      5.373643
  C      -0.619669      0.490624      4.032965
  N      -2.048657      0.375738      4.255878
  H      -1.115548      5.069613      5.827988
  H      -0.923324      4.411498      7.454970
  H      -0.112074      3.207229      4.768187
  H       0.821159      3.301785      6.278393
  H      -0.195893     -0.404349      3.542150
  H      -0.391274      1.338813      3.356511
  H       0.050995     -0.221332      5.951018
  H       1.147149      1.000181      5.257914
  H      -1.873172      0.307097      8.973038
  H      -1.286836     -0.659020      7.611516
  H      -0.985074      2.349492      8.124770
  H       0.333720      1.155186      7.956145
  C      -3.453259      4.220434      7.307791
  C      -3.894995      5.635757      6.919475
  O      -4.819458      5.570801      5.808847
  C      -4.320573      5.688108      4.573938
  O      -3.170127      6.029715      4.313333
  C      -5.359909      5.334129      3.536223
  N      -6.398951      4.634924      3.975158
  C      -7.328933      4.255667      3.066816
  N      -7.349356      4.547253      1.776875
  C      -6.301715      5.283792      1.305968
  C      -6.293806      5.643851     -0.063690
  C      -5.244711      6.370493     -0.579377
  C      -4.166884      6.759896      0.249433
  C      -4.147526      6.435204      1.589040
  C      -5.218298      5.696136      2.157394
  C      -2.617607     -0.954888      4.196248
  C      -2.684184     -1.559782      2.784999
  O      -3.221322     -0.633953      1.809394
  C      -4.537675     -0.338640      1.908980
  O      -5.305952     -0.888232      2.668786
  C      -4.955829      0.736087      0.920422
  N      -6.269895      0.792426      0.750347
  C      -6.749661      1.671362     -0.159796
  N      -6.048918      2.460836     -0.954742
  C      -4.698904      2.446865     -0.776833
  C      -3.912592      3.306472     -1.585324
  C      -2.549732      3.369217     -1.411928
  C      -1.923998      2.579436     -0.418114
  C      -2.656858      1.716927      0.371092
  C      -4.065695      1.606341      0.205021
  C      -4.056209     -0.161960      7.638418
  C      -4.819439      0.519708      8.773934
  O      -5.548333      1.675185      8.292635
  C      -6.806574      1.441586      7.849947
  O      -7.347278      0.345962      7.872384
  C      -7.467375      2.713197      7.385441
  N      -6.974409      3.845881      7.876856
  C      -7.604962      4.993511      7.533695
  N      -8.672881      5.129823      6.772607
  C      -9.180459      3.979735      6.238365
  C     -10.302008      4.071495      5.377755
  C     -10.815061      2.936800      4.787531
  C     -10.226366      1.675049      5.033156
  C      -9.142059      1.550644      5.877830
  C      -8.598443      2.697058      6.510162
  H      -2.986932      4.308539      8.315065
  H      -4.356518      3.608817      7.428148
  H      -3.051059      6.287658      6.661099
  H      -4.472495      6.077046      7.740366
  H      -8.149760      3.647187      3.454115
  H      -7.127982      5.312695     -0.682114
  H      -5.239625      6.642907     -1.635270
  H      -3.340341      7.329675     -0.176710
  H      -3.321580      6.741172      2.226134
  H      -3.638851     -0.916275      4.599414
  H      -2.057099     -1.691508      4.816264
  H      -3.295735     -2.474573      2.801890
  H      -1.685096     -1.794005      2.394350
  H      -7.838352      1.711136     -0.251806
  H      -4.430041      3.919412     -2.323485
  H      -1.948951      4.038784     -2.030033
  H      -0.843739      2.650101     -0.275883
  H      -2.160945      1.107268      1.123974
  H      -4.764653     -0.361950      6.822336
  H      -3.716470     -1.147586      8.013989
  H      -5.524870     -0.182257      9.240970
  H      -4.132420      0.919970      9.532361
  H      -7.174359      5.910075      7.948297
  H     -10.720975      5.060778      5.191601
  H     -11.671616      3.010614      4.114944
  H     -10.629944      0.788966      4.541659
  H      -8.688442      0.580196      6.059059
  N      -2.575623      3.067092      3.533790
  H      -1.853406      2.738545      2.888915
  H      -2.415711      4.065654      3.708982
  H      -3.454782      3.006540      3.012600
  N      -4.729274      1.718297      5.158651
  N      -5.861165      1.676316      4.960244
101
Coordinates from ORCA-job orca E -6762.583954618451
  N      -2.542281      3.586871      6.394608
  Mo     -2.827230      1.775161      5.539170
  N      -2.924505      0.604298      7.131769
  C      -1.691113      0.323209      7.865441
  C      -0.669236      1.418286      7.597120
  N      -0.647808      1.743328      6.143282
  C      -0.179975      3.122739      5.878370
  C      -1.197265      4.135719      6.429765
  C       0.091708      0.716527      5.360046
  C      -0.624971      0.496883      4.022151
  N      -2.052614      0.378486      4.254899
  H      -1.110180      5.078693      5.846435
  H      -0.937703      4.405029      7.473702
  H      -0.089275      3.224299      4.791676
  H       0.821565      3.290416      6.313986
  H      -0.204405     -0.395853      3.525362
  H      -0.401315      1.345137      3.347231
  H       0.065230     -0.219704      5.934574
  H       1.151089      1.008928      5.237987
  H      -1.865324      0.275794      8.957994
  H      -1.287467     -0.672534      7.582478
  H      -0.978469      2.326839      8.129338
  H       0.339399      1.133734      7.949957
  C      -3.458111      4.227107      7.312723
  C      -3.894893      5.644200      6.926106
  O      -4.820885      5.587652      5.812301
  C      -4.317281      5.685579      4.577809
  O      -3.162073      6.006829      4.318456
  C      -5.356820      5.331086      3.537478
  N      -6.383371      4.606726      3.964689
  C      -7.306221      4.220691      3.052952
  N      -7.334419      4.528457      1.772579
  C      -6.299996      5.290199      1.312615
  C      -6.291791      5.658383     -0.056699
  C      -5.250051      6.403723     -0.567514
  C      -4.184439      6.811149      0.270003
  C      -4.166877      6.480281      1.611207
  C      -5.224056      5.713545      2.167457
  C      -2.609339     -0.955229      4.201995
  C      -2.675857     -1.567745      2.796075
  O      -3.210250     -0.650745      1.810362
  C      -4.526459     -0.355760      1.908229
  O      -5.289857     -0.892542      2.680688
  C      -4.950993      0.704138      0.907343
  N      -6.264241      0.750328      0.734138
  C      -6.748861      1.622581     -0.179111
  N      -6.054233      2.424540     -0.964486
  C      -4.704601      2.419243     -0.783420
  C      -3.920174      3.295257     -1.576677
  C      -2.553694      3.366202     -1.396001
  C      -1.926515      2.557482     -0.423008
  C      -2.659888      1.678470      0.349356
  C      -4.068018      1.572961      0.189196
  C      -4.062425     -0.156291      7.626721
  C      -4.823326      0.527945      8.765061
  O      -5.544888      1.688379      8.285182
  C      -6.801838      1.459956      7.842788
  O      -7.345932      0.369265      7.861066
  C      -7.463122      2.734071      7.381629
  N      -6.973795      3.869756      7.874645
  C      -7.607663      5.018002      7.534043
  N      -8.678207      5.151458      6.776344
  C      -9.183304      3.997347      6.240865
  C     -10.308632      4.084232      5.382975
  C     -10.819133      2.945141      4.791504
  C     -10.224302      1.683572      5.037440
  C      -9.136640      1.564556      5.879458
  C      -8.595117      2.715618      6.508568
  H      -2.997786      4.310600      8.321909
  H      -4.363037      3.615319      7.426348
  H      -3.045774      6.292873      6.670019
  H      -4.474142      6.086760      7.747293
  H      -8.116137      3.592631      3.430116
  H      -7.116653      5.313968     -0.682092
  H      -5.240413      6.675869     -1.628756
  H      -3.364056      7.397877     -0.150634
  H      -3.348057      6.797817      2.251787
  H      -3.625380     -0.924502      4.609534
  H      -2.042126     -1.683533      4.820198
  H      -3.285136     -2.481414      2.818812
  H      -1.678840     -1.802983      2.406284
  H      -7.835961      1.651340     -0.277511
  H      -4.440037      3.915997     -2.305975
  H      -1.951937      4.051766     -1.997970
  H      -0.844094      2.629428     -0.280504
  H      -2.162796      1.059469      1.091675
  H      -4.770408     -0.350433      6.807874
  H      -3.733392     -1.145855      8.001508
  H      -5.534358     -0.171465      9.226875
  H      -4.135865      0.924139      9.525705
  H      -7.177636      5.936026      7.950483
  H     -10.733089      5.072868      5.196761
  H     -11.677844      3.015145      4.117598
  H     -10.625845      0.794247      4.547485
  H      -8.677082      0.594964      6.060551
  N      -2.591404      3.065148      3.528104
  H      -1.863103      2.746317      2.883315
  H      -2.439502      4.063043      3.706789
  H      -3.466568      3.000010      3.008214
  N      -4.731976      1.719506      5.163782
  N      -5.859862      1.669120      4.959447
101
Coordinates from ORCA-job orca E -6762.584258991110
  N      -2.534170      3.591690      6.400330
  Mo     -2.823220      1.778001      5.546425
  N      -2.928757      0.604419      7.135510
  C      -1.697939      0.319794      7.869380
  C      -0.675249      1.415580      7.604801
  N      -0.649687      1.741729      6.152620
  C      -0.173794      3.119240      5.889130
  C      -1.187259      4.134326      6.438251
  C       0.087276      0.713571      5.370994
  C      -0.626535      0.495806      4.033454
  N      -2.054070      0.378301      4.261171
  H      -1.094692      5.074003      5.856135
  H      -0.926277      4.401107      7.482432
  H      -0.080205      3.218514      4.799171
  H       0.830214      3.287049      6.327368
  H      -0.205966     -0.396448      3.536943
  H      -0.400416      1.345136      3.360407
  H       0.058444     -0.222924      5.944696
  H       1.146204      1.004956      5.250827
  H      -1.873878      0.269525      8.960781
  H      -1.295639     -0.675786      7.584148
  H      -0.984500      2.323239      8.135914
  H       0.330480      1.131082      7.959973
  C      -3.448165      4.237677      7.315867
  C      -3.877670      5.657052      6.928922
  O      -4.806670      5.602400      5.817837
  C      -4.306510      5.687437      4.583254
  O      -3.152225      6.006154      4.316918
  C      -5.347414      5.322564      3.549952
  N      -6.362884      4.588672      3.986766
  C      -7.282506      4.189108      3.075757
  N      -7.315587      4.494292      1.788552
  C      -6.293839      5.269234      1.322494
  C      -6.300182      5.644863     -0.043166
  C      -5.274973      6.408165     -0.553431
  C      -4.210555      6.824903      0.278573
  C      -4.180907      6.488706      1.617053
  C      -5.222709      5.705718      2.175704
  C      -2.611816     -0.953832      4.203289
  C      -2.665982     -1.564580      2.794946
  O      -3.203211     -0.648523      1.809674
  C      -4.523031     -0.361457      1.903879
  O      -5.288396     -0.901882      2.674204
  C      -4.950698      0.695794      0.899946
  N      -6.265903      0.728859      0.722105
  C      -6.756534      1.599423     -0.189057
  N      -6.066861      2.411654     -0.967661
  C      -4.714963      2.420221     -0.782286
  C      -3.938946      3.302122     -1.575366
  C      -2.574589      3.375101     -1.403785
  C      -1.939190      2.567702     -0.434264
  C      -2.662866      1.687801      0.342637
  C      -4.071020      1.575635      0.186888
  C      -4.066502     -0.156395      7.626605
  C      -4.830255      0.528748      8.760383
  O      -5.546763      1.690134      8.277795
  C      -6.803304      1.462539      7.832451
  O      -7.352195      0.370287      7.857568
  C      -7.459075      2.736101      7.363942
  N      -6.962886      3.870153      7.852031
  C      -7.591041      5.019136      7.507794
  N      -8.661607      5.155434      6.750649
  C      -9.173818      4.003407      6.220141
  C     -10.300043      4.093659      5.364819
  C     -10.818203      2.956482      4.776465
  C     -10.229790      1.693943      5.021878
  C      -9.141566      1.571618      5.864043
  C      -8.592432      2.720502      6.491317
  H      -2.987856      4.318754      8.325877
  H      -4.357040      3.631745      7.429755
  H      -3.026283      6.302511      6.669953
  H      -4.453114      6.104773      7.750938
  H      -8.082902      3.550691      3.459473
  H      -7.124488      5.294839     -0.662500
  H      -5.279473      6.689651     -1.606671
  H      -3.404547      7.427167     -0.140777
  H      -3.365746      6.817035      2.257217
  H      -3.633516     -0.921769      4.601516
  H      -2.049670     -1.682980      4.828294
  H      -3.272068     -2.482523      2.811425
  H      -1.663477     -1.794809      2.409775
  H      -7.844989      1.615461     -0.292042
  H      -4.465692      3.920418     -2.302707
  H      -1.981131      4.059982     -2.010674
  H      -0.859820      2.637995     -0.302650
  H      -2.161722      1.066437      1.077212
  H      -4.771955     -0.349674      6.806486
  H      -3.738166     -1.145632      8.001765
  H      -5.543225     -0.168362      9.218969
  H      -4.146043      0.922675      9.522904
  H      -7.156246      5.935670      7.920535
  H     -10.719297      5.083035      5.178739
  H     -11.677935      3.028916      4.105909
  H     -10.637214      0.805747      4.532232
  H      -8.687311      0.600888      6.044865
  N      -2.580658      3.064793      3.535466
  H      -1.848366      2.746551      2.895268
  H      -2.433393      4.064457      3.712173
  H      -3.454729      2.992686      3.010046
  N      -4.725206      1.719283      5.159848
  N      -5.855839      1.667097      4.953933
101
Coordinates from ORCA-job orca E -6762.584284205074
  N      -2.515356      3.593961      6.401984
  Mo     -2.820775      1.777952      5.550079
  N      -2.931076      0.606029      7.140609
  C      -1.698457      0.317970      7.872823
  C      -0.671348      1.410683      7.604810
  N      -0.646549      1.735488      6.152535
  C      -0.165447      3.109047      5.883789
  C      -1.163859      4.125208      6.445117
  C       0.083774      0.703424      5.370049
  C      -0.635188      0.482540      4.036125
  N      -2.063470      0.371327      4.266864
  H      -1.060616      5.069585      5.876925
  H      -0.894939      4.373394      7.496014
  H      -0.084267      3.208076      4.793228
  H       0.839567      3.276920      6.308215
  H      -0.217340     -0.412868      3.541475
  H      -0.406883      1.330265      3.358702
  H       0.054449     -0.231585      5.946391
  H       1.143386      0.991196      5.243462
  H      -1.873055      0.269154      8.965321
  H      -1.302000     -0.679735      7.585022
  H      -0.975261      2.319823      8.137653
  H       0.335335      1.121140      7.957885
  C      -3.425298      4.255779      7.310720
  C      -3.833636      5.680992      6.922160
  O      -4.770626      5.633545      5.819692
  C      -4.278740      5.705942      4.577739
  O      -3.127165      6.029038      4.291432
  C      -5.325602      5.324392      3.559432
  N      -6.314404      4.563856      4.006458
  C      -7.235380      4.141101      3.105410
  N      -7.292882      4.449144      1.821646
  C      -6.296246      5.250434      1.344693
  C      -6.325593      5.625631     -0.021299
  C      -5.321592      6.411852     -0.541950
  C      -4.257296      6.854275      0.278822
  C      -4.206418      6.518783      1.616007
  C      -5.226155      5.712238      2.186292
  C      -2.637148     -0.957059      4.211421
  C      -2.693914     -1.575084      2.805489
  O      -3.231639     -0.659369      1.815545
  C      -4.546823     -0.371560      1.902460
  O      -5.315243     -0.912332      2.666396
  C      -4.970143      0.685823      0.893987
  N      -6.279079      0.704873      0.693949
  C      -6.762521      1.581161     -0.217752
  N      -6.069265      2.410563     -0.976160
  C      -4.724215      2.432737     -0.769005
  C      -3.947600      3.331768     -1.542717
  C      -2.590179      3.419583     -1.349323
  C      -1.958691      2.619851     -0.365126
  C      -2.682997      1.724500      0.394452
  C      -4.088247      1.587259      0.205779
  C      -4.066899     -0.154365      7.639039
  C      -4.830529      0.539019      8.766223
  O      -5.551479      1.694374      8.269526
  C      -6.804984      1.461076      7.813520
  O      -7.348004      0.368066      7.842545
  C      -7.454202      2.729047      7.326118
  N      -6.948632      3.864544      7.794742
  C      -7.567413      5.011667      7.429947
  N      -8.636638      5.146508      6.669954
  C      -9.159417      3.993191      6.161828
  C     -10.284619      4.082450      5.307681
  C     -10.815840      2.943993      4.746616
  C     -10.239847      1.681150      5.011654
  C      -9.150586      1.559615      5.848188
  C      -8.589755      2.709964      6.455454
  H      -2.964476      4.331849      8.321875
  H      -4.343761      3.665667      7.425153
  H      -2.977375      6.311978      6.652841
  H      -4.392794      6.142775      7.744182
  H      -8.010836      3.477809      3.496144
  H      -7.147468      5.255103     -0.634599
  H      -5.341787      6.691304     -1.596239
  H      -3.468224      7.473781     -0.151209
  H      -3.390467      6.863896      2.247534
  H      -3.661868     -0.909316      4.604562
  H      -2.087510     -1.693008      4.842824
  H      -3.303808     -2.492703      2.826116
  H      -1.692803     -1.811294      2.422122
  H      -7.848396      1.581509     -0.342034
  H      -4.468544      3.949965     -2.273502
  H      -1.996407      4.117446     -1.941845
  H      -0.880626      2.709646     -0.207553
  H      -2.185072      1.108162      1.139308
  H      -4.773598     -0.355283      6.820786
  H      -3.734468     -1.140030      8.021957
  H      -5.540972     -0.158389      9.237564
  H      -4.142850      0.943068      9.525086
  H      -7.124747      5.930240      7.823809
  H     -10.693529      5.072620      5.106133
  H     -11.676758      3.015414      4.083350
  H     -10.657870      0.790988      4.542734
  H      -8.707035      0.587635      6.044725
  N      -2.566706      3.056934      3.539656
  H      -1.833644      2.735031      2.906233
  H      -2.422591      4.059192      3.709520
  H      -3.441596      2.976522      3.009165
  N      -4.715901      1.721590      5.156957
  N      -5.847590      1.663039      4.949379
101
Coordinates from ORCA-job orca E -6762.584507200492
  N      -2.513798      3.592689      6.400307
  Mo     -2.816709      1.777774      5.547965
  N      -2.926941      0.606645      7.140078
  C      -1.695822      0.314077      7.870887
  C      -0.666301      1.402264      7.602156
  N      -0.645095      1.726024      6.148354
  C      -0.166447      3.100371      5.876793
  C      -1.157476      4.113154      6.459753
  C       0.083537      0.691079      5.366195
  C      -0.636818      0.468291      4.033246
  N      -2.065176      0.363694      4.264278
  H      -1.046148      5.069388      5.913963
  H      -0.890664      4.335373      7.515076
  H      -0.103247      3.202462      4.784151
  H       0.848916      3.264332      6.286461
  H      -0.222671     -0.431274      3.542945
  H      -0.405066      1.310583      3.351240
  H       0.054883     -0.242536      5.944779
  H       1.142760      0.977472      5.238671
  H      -1.868727      0.265037      8.963033
  H      -1.300166     -0.684592      7.584873
  H      -0.967034      2.312771      8.135982
  H       0.340760      1.109277      7.952888
  C      -3.426886      4.259829      7.302144
  C      -3.825473      5.685547      6.909163
  O      -4.764668      5.643610      5.805441
  C      -4.272611      5.694835      4.564979
  O      -3.116365      5.994135      4.279449
  C      -5.324166      5.312524      3.548558
  N      -6.303443      4.537613      3.996862
  C      -7.222205      4.109080      3.096675
  N      -7.289230      4.424425      1.813235
  C      -6.306218      5.243360      1.336620
  C      -6.349321      5.631308     -0.025505
  C      -5.363685      6.441522     -0.541947
  C      -4.303607      6.894598      0.278040
  C      -4.236716      6.543501      1.609185
  C      -5.237806      5.712954      2.175824
  C      -2.639253     -0.964045      4.212908
  C      -2.693814     -1.585875      2.810682
  O      -3.225210     -0.672784      1.816086
  C      -4.542066     -0.386115      1.899703
  O      -5.312062     -0.921742      2.666393
  C      -4.964294      0.668413      0.887778
  N      -6.270781      0.676938      0.673504
  C      -6.752969      1.554245     -0.238195
  N      -6.060770      2.398573     -0.979011
  C      -4.718371      2.429075     -0.758164
  C      -3.940475      3.345217     -1.510053
  C      -2.583872      3.442075     -1.298143
  C      -1.956877      2.626962     -0.325766
  C      -2.683449      1.713673      0.410218
  C      -4.084948      1.576611      0.211881
  C      -4.067682     -0.146855      7.634954
  C      -4.831129      0.550815      8.761194
  O      -5.544666      1.709090      8.265252
  C      -6.801875      1.479515      7.817299
  O      -7.354612      0.389285      7.854350
  C      -7.450186      2.748243      7.328084
  N      -6.948383      3.886316      7.797566
  C      -7.568975      5.032983      7.433771
  N      -8.637687      5.164544      6.673604
  C      -9.156624      4.007812      6.162430
  C     -10.280783      4.091831      5.303551
  C     -10.807568      2.949339      4.737426
  C     -10.228687      1.687109      5.005963
  C      -9.140852      1.571301      5.847994
  C      -8.583800      2.726100      6.455971
  H      -2.974876      4.334864      8.316604
  H      -4.348450      3.672482      7.408642
  H      -2.963365      6.308835      6.638935
  H      -4.383079      6.153004      7.729372
  H      -7.987914      3.433980      3.487385
  H      -7.168373      5.253024     -0.637727
  H      -5.395199      6.731696     -1.593092
  H      -3.529673      7.534179     -0.147106
  H      -3.423241      6.896097      2.239010
  H      -3.663348     -0.915523      4.604602
  H      -2.092196     -1.697663      4.847376
  H      -3.304118     -2.500641      2.832035
  H      -1.693436     -1.823770      2.428777
  H      -7.836480      1.545372     -0.375798
  H      -4.458824      3.970512     -2.237014
  H      -1.987670      4.155054     -1.870857
  H      -0.880295      2.720642     -0.157673
  H      -2.188927      1.087445      1.148570
  H      -4.772627     -0.343831      6.815260
  H      -3.743632     -1.134339      8.018679
  H      -5.546313     -0.141138      9.226427
  H      -4.146031      0.950136      9.520904
  H      -7.128696      5.952896      7.831389
  H     -10.692896      5.080768      5.099426
  H     -11.666788      3.016622      4.066530
  H     -10.643091      0.793845      4.534445
  H      -8.693158      0.600822      6.045611
  N      -2.559322      3.056055      3.536685
  H      -1.818826      2.739459      2.906794
  H      -2.419082      4.057665      3.713122
  H      -3.428305      2.976421      3.002263
  N      -4.714251      1.715040      5.157199
  N      -5.843980      1.650284      4.948690
101
Coordinates from ORCA-job orca E -6762.584379575779
  N      -2.531255      3.595739      6.411477
  Mo     -2.826139      1.782754      5.553446
  N      -2.930329      0.596226      7.134538
  C      -1.696502      0.296035      7.858837
  C      -0.670936      1.389786      7.604584
  N      -0.648164      1.732365      6.155808
  C      -0.170260      3.109805      5.904296
  C      -1.178602      4.123311      6.465255
  C       0.083344      0.710376      5.363962
  C      -0.639753      0.498169      4.030374
  N      -2.064588      0.378690      4.263424
  H      -1.069334      5.072564      5.901754
  H      -0.921715      4.365611      7.514546
  H      -0.077624      3.223160      4.815540
  H       0.833507      3.267823      6.343298
  H      -0.219535     -0.389844      3.528445
  H      -0.417860      1.349913      3.359999
  H       0.061589     -0.228487      5.932972
  H       1.140932      1.002806      5.236308
  H      -1.867365      0.231175      8.950066
  H      -1.299795     -0.696027      7.556979
  H      -0.976030      2.291037      8.147984
  H       0.335832      1.096955      7.954574
  C      -3.444730      4.256801      7.316161
  C      -3.845131      5.682902      6.924484
  O      -4.777911      5.646818      5.812537
  C      -4.279279      5.701971      4.573326
  O      -3.122833      5.997512      4.292625
  C      -5.322635      5.319601      3.549804
  N      -6.297186      4.531125      3.984121
  C      -7.201783      4.096693      3.075218
  N      -7.260216      4.416775      1.796567
  C      -6.281898      5.249483      1.333526
  C      -6.310742      5.636579     -0.029292
  C      -5.325827      6.455985     -0.536074
  C      -4.283689      6.922957      0.296777
  C      -4.232751      6.574958      1.631432
  C      -5.229001      5.729278      2.183621
  C      -2.618377     -0.954173      4.212034
  C      -2.663772     -1.575712      2.809220
  O      -3.206858     -0.669885      1.815830
  C      -4.530847     -0.396624      1.904277
  O      -5.296907     -0.933344      2.678371
  C      -4.965828      0.646417      0.886630
  N      -6.277920      0.635716      0.672998
  C      -6.773563      1.500300     -0.243106
  N      -6.089044      2.353126     -0.982956
  C      -4.740379      2.401378     -0.763263
  C      -3.970699      3.321847     -1.520118
  C      -2.612284      3.419527     -1.324481
  C      -1.974810      2.601665     -0.364835
  C      -2.690079      1.692529      0.384284
  C      -4.093617      1.555082      0.202429
  C      -4.072386     -0.159137      7.627833
  C      -4.835402      0.536675      8.755855
  O      -5.543534      1.698952      8.262149
  C      -6.798883      1.477320      7.812883
  O      -7.353867      0.391747      7.846108
  C      -7.438889      2.751566      7.327201
  N      -6.927438      3.886465      7.799750
  C      -7.540290      5.037960      7.439122
  N      -8.609801      5.177052      6.678939
  C      -9.138845      4.023976      6.165910
  C     -10.265605      4.116694      5.312664
  C     -10.803589      2.978520      4.748500
  C     -10.233304      1.712190      5.014714
  C      -9.143018      1.587469      5.852410
  C      -8.575115      2.737590      6.457527
  H      -2.993926      4.330305      8.330936
  H      -4.364300      3.665794      7.420738
  H      -2.981482      6.311408      6.662424
  H      -4.411861      6.146521      7.744412
  H      -7.960870      3.407825      3.452555
  H      -7.116523      5.248127     -0.651304
  H      -5.344319      6.743284     -1.589687
  H      -3.511558      7.571544     -0.120338
  H      -3.432214      6.938623      2.269674
  H      -3.640688     -0.919616      4.604805
  H      -2.060512     -1.677975      4.844453
  H      -3.262127     -2.498457      2.828865
  H      -1.658225     -1.799011      2.427134
  H      -7.860813      1.473908     -0.383429
  H      -4.498457      3.942827     -2.244108
  H      -2.024610      4.130331     -1.907028
  H      -0.901186      2.686850     -0.220251
  H      -2.187118      1.067453      1.117149
  H      -4.777753     -0.354548      6.806838
  H      -3.748702     -1.147805      8.009515
  H      -5.554136     -0.153819      9.217960
  H      -4.150450      0.932440      9.517634
  H      -7.091456      5.955386      7.835563
  H     -10.670660      5.108864      5.111245
  H     -11.665339      3.052835      4.082545
  H     -10.657218      0.822986      4.547285
  H      -8.703299      0.613441      6.050613
  N      -2.587537      3.060185      3.542643
  H      -1.843791      2.751882      2.909803
  H      -2.456636      4.062599      3.718307
  H      -3.455617      2.972255      3.011369
  N      -4.721261      1.702048      5.160620
  N      -5.849248      1.631391      4.946378
101
Coordinates from ORCA-job orca E -6762.584646295751
  N      -2.517035      3.595649      6.402987
  Mo     -2.819766      1.780785      5.551020
  N      -2.928014      0.601878      7.137224
  C      -1.695971      0.302418      7.862487
  C      -0.666411      1.393229      7.601496
  N      -0.643476      1.727393      6.150703
  C      -0.160999      3.103247      5.893194
  C      -1.161395      4.117036      6.461682
  C       0.084404      0.698529      5.361731
  C      -0.640411      0.481207      4.029737
  N      -2.067461      0.367910      4.264169
  H      -1.048538      5.071429      5.907073
  H      -0.902346      4.347397      7.516352
  H      -0.075001      3.212596      4.804167
  H       0.845608      3.262404      6.324559
  H      -0.224651     -0.412068      3.531302
  H      -0.414930      1.328808      3.354321
  H       0.059624     -0.237655      5.935674
  H       1.143170      0.988168      5.232464
  H      -1.866584      0.243923      8.954840
  H      -1.301950     -0.693514      7.566870
  H      -0.967663      2.298897      8.140443
  H       0.339192      1.100546      7.952108
  C      -3.429466      4.262296      7.305697
  C      -3.827274      5.689580      6.915216
  O      -4.766778      5.653372      5.810832
  C      -4.273020      5.700946      4.570184
  O      -3.115972      5.997111      4.283363
  C      -5.320407      5.317926      3.552103
  N      -6.291117      4.528202      3.991626
  C      -7.199364      4.093316      3.084532
  N      -7.264443      4.415155      1.803683
  C      -6.290977      5.251048      1.337309
  C      -6.330458      5.645574     -0.022680
  C      -5.350455      6.469943     -0.531375
  C      -4.302032      6.933652      0.296662
  C      -4.242145      6.578940      1.630241
  C      -5.234460      5.730143      2.185022
  C      -2.628282     -0.964505      4.219819
  C      -2.676585     -1.592991      2.820140
  O      -3.215995     -0.689920      1.818911
  C      -4.534613     -0.408679      1.904285
  O      -5.299686     -0.937810      2.680041
  C      -4.967762      0.633931      0.884675
  N      -6.274742      0.624025      0.668693
  C      -6.768298      1.495069     -0.242477
  N      -6.087096      2.355057     -0.974197
  C      -4.743457      2.404303     -0.751016
  C      -3.976627      3.335692     -1.495426
  C      -2.619737      3.443498     -1.287837
  C      -1.981480      2.622983     -0.329985
  C      -2.696490      1.698292      0.401877
  C      -4.098228      1.552273      0.210115
  C      -4.070593     -0.150864      7.631262
  C      -4.835462      0.547648      8.755728
  O      -5.543227      1.709222      8.258843
  C      -6.798159      1.484363      7.806998
  O      -7.353245      0.396366      7.841892
  C      -7.442023      2.755735      7.318060
  N      -6.940618      3.891866      7.793265
  C      -7.559240      5.040466      7.430583
  N      -8.626310      5.175449      6.668158
  C      -9.145374      4.020880      6.152593
  C     -10.269224      4.108553      5.295477
  C     -10.796673      2.967967      4.725530
  C     -10.218112      1.704429      4.988864
  C      -9.130578      1.585158      5.830940
  C      -8.573626      2.737712      6.442729
  H      -2.977688      4.334994      8.320409
  H      -4.351397      3.674964      7.411498
  H      -2.964090      6.313810      6.647216
  H      -4.386670      6.156282      7.736479
  H      -7.956967      3.404462      3.466773
  H      -7.140764      5.259909     -0.640285
  H      -5.378656      6.764629     -1.580921
  H      -3.533382      7.585827     -0.121473
  H      -3.437658      6.940632      2.267115
  H      -3.651796     -0.922927      4.612488
  H      -2.074311     -1.689664      4.857015
  H      -3.278910     -2.513488      2.844286
  H      -1.673082     -1.824204      2.439997
  H      -7.851422      1.468231     -0.385221
  H      -4.503889      3.960006     -2.216279
  H      -2.032565      4.165817     -1.857003
  H      -0.906314      2.720219     -0.171826
  H      -2.194370      1.069122      1.130127
  H      -4.774622     -0.348165      6.810026
  H      -3.748470     -1.138610      8.016889
  H      -5.554760     -0.142258      9.216455
  H      -4.152197      0.943581      9.518432
  H      -7.118537      5.958703      7.831076
  H     -10.680975      5.098410      5.095212
  H     -11.656146      3.037876      4.056272
  H     -10.632973      0.812701      4.513785
  H      -8.683126      0.613751      6.025352
  N      -2.575969      3.050626      3.535580
  H      -1.831479      2.740851      2.907133
  H      -2.447579      4.053934      3.707090
  H      -3.444017      2.957653      3.001782
  N      -4.715182      1.709239      5.157553
  N      -5.844554      1.641642      4.946906
101
Coordinates from ORCA-job orca E -6762.584676164335
  N      -2.511636      3.592645      6.400502
  Mo     -2.817792      1.776647      5.550309
  N      -2.926153      0.600438      7.139589
  C      -1.694057      0.302363      7.866264
  C      -0.663884      1.390169      7.600902
  N      -0.644460      1.720147      6.149000
  C      -0.163679      3.094491      5.883465
  C      -1.153562      4.107198      6.466953
  C       0.081825      0.687697      5.362225
  C      -0.641313      0.469535      4.030103
  N      -2.069087      0.361884      4.262404
  H      -1.035211      5.065622      5.926991
  H      -0.889133      4.321959      7.524798
  H      -0.095598      3.200866      4.791576
  H       0.849970      3.255931      6.297600
  H      -0.226265     -0.426947      3.535059
  H      -0.412277      1.315284      3.351735
  H       0.054195     -0.247802      5.937684
  H       1.141010      0.973694      5.233376
  H      -1.864990      0.248651      8.958362
  H      -1.300395     -0.695148      7.574306
  H      -0.961872      2.298277      8.139732
  H       0.343159      1.094154      7.948669
  C      -3.425321      4.266677      7.296395
  C      -3.812694      5.694839      6.900761
  O      -4.754052      5.660705      5.797469
  C      -4.263307      5.701685      4.555454
  O      -3.105805      5.993495      4.263890
  C      -5.314667      5.314791      3.541915
  N      -6.275414      4.514593      3.985325
  C      -7.185235      4.073514      3.082964
  N      -7.261618      4.398725      1.803844
  C      -6.299539      5.246336      1.333389
  C      -6.351734      5.645276     -0.025800
  C      -5.387525      6.486682     -0.533847
  C      -4.340352      6.960157      0.291134
  C      -4.263364      6.595762      1.617830
  C      -5.241786      5.732711      2.175168
  C      -2.637212     -0.969090      4.220395
  C      -2.688327     -1.599911      2.823021
  O      -3.225737     -0.695996      1.821502
  C      -4.543746     -0.415593      1.904590
  O      -5.312584     -0.947685      2.676482
  C      -4.972231      0.630877      0.885865
  N      -6.276633      0.613448      0.652516
  C      -6.763778      1.489284     -0.259099
  N      -6.077869      2.359092     -0.976479
  C      -4.737576      2.413389     -0.737483
  C      -3.967297      3.351948     -1.469582
  C      -2.614658      3.464123     -1.245682
  C      -1.982939      2.643087     -0.280512
  C      -2.701388      1.710062      0.437805
  C      -4.099461      1.558492      0.227547
  C      -4.068352     -0.149771      7.637248
  C      -4.831345      0.553643      8.760017
  O      -5.541668      1.711900      8.257059
  C      -6.798750      1.485921      7.806914
  O      -7.354481      0.399127      7.846281
  C      -7.439787      2.756001      7.311887
  N      -6.935527      3.892849      7.782050
  C      -7.550354      5.041168      7.413883
  N      -8.615673      5.175652      6.649027
  C      -9.137502      4.020351      6.138160
  C     -10.258741      4.107611      5.276366
  C     -10.790071      2.966518      4.714323
  C     -10.217675      1.702549      4.987926
  C      -9.131584      1.583543      5.830773
  C      -8.570948      2.736836      6.436380
  H      -2.977674      4.339952      8.313210
  H      -4.350952      3.685277      7.399364
  H      -2.945926      6.311676      6.629191
  H      -4.366703      6.168479      7.720464
  H      -7.933049      3.375327      3.468145
  H      -7.160028      5.250639     -0.642759
  H      -5.425055      6.785677     -1.583843
  H      -3.583993      7.624781     -0.127766
  H      -3.458044      6.962449      2.249807
  H      -3.661223     -0.921846      4.611753
  H      -2.088043     -1.696030      4.859954
  H      -3.292597     -2.518752      2.849016
  H      -1.686437     -1.833192      2.442058
  H      -7.845604      1.455594     -0.417110
  H      -4.488523      3.978086     -2.194115
  H      -2.024746      4.192838     -1.804443
  H      -0.909022      2.747732     -0.104933
  H      -2.204580      1.078913      1.170230
  H      -4.773460     -0.349538      6.817803
  H      -3.745576     -1.135695      8.026097
  H      -5.549862     -0.135594      9.228908
  H      -4.144251      0.955529      9.519364
  H      -7.107844      5.960150      7.811175
  H     -10.666000      5.097799      5.068881
  H     -11.648239      3.036174      4.043816
  H     -10.636289      0.810514      4.520838
  H      -8.688721      0.611743      6.032580
  N      -2.564879      3.050206      3.538033
  H      -1.817135      2.740774      2.912916
  H      -2.437862      4.054241      3.710952
  H      -3.430549      2.956381      3.000097
  N      -4.712607      1.702478      5.156475
  N      -5.842053      1.626256      4.944666
101
Coordinates from ORCA-job orca E -6762.584752044586
  N      -2.513430      3.590351      6.398648
  Mo     -2.818678      1.773963      5.549716
  N      -2.926656      0.597502      7.138189
  C      -1.693918      0.299178      7.864314
  C      -0.663603      1.387945      7.599499
  N      -0.644334      1.720254      6.148272
  C      -0.162890      3.094875      5.885199
  C      -1.156892      4.107854      6.462993
  C       0.082618      0.689982      5.360277
  C      -0.640597      0.474060      4.027692
  N      -2.067937      0.362101      4.260135
  H      -1.039928      5.065459      5.918319
  H      -0.894949      4.327901      7.519806
  H      -0.087354      3.202358      4.793865
  H       0.847799      3.256103      6.306197
  H      -0.223541     -0.419156      3.529598
  H      -0.414493      1.322526      3.352557
  H       0.055199     -0.246395      5.933953
  H       1.141823      0.976678      5.232084
  H      -1.864388      0.244835      8.956625
  H      -1.300836     -0.697841      7.570953
  H      -0.961303      2.294943      8.139642
  H       0.343678      1.092240      7.946711
  C      -3.427918      4.262671      7.295380
  C      -3.816943      5.691143      6.900865
  O      -4.758200      5.658113      5.797688
  C      -4.267395      5.703031      4.555404
  O      -3.110057      5.994328      4.264182
  C      -5.317117      5.317701      3.540516
  N      -6.276870      4.514623      3.980293
  C      -7.183401      4.073025      3.074990
  N      -7.257282      4.399430      1.796216
  C      -6.296699      5.250700      1.329655
  C      -6.346604      5.651843     -0.028498
  C      -5.382969      6.496543     -0.533800
  C      -4.338874      6.971312      0.293760
  C      -4.265050      6.605388      1.621445
  C      -5.242653      5.738649      2.175079
  C      -2.630106     -0.971175      4.222192
  C      -2.680474     -1.605597      2.825921
  O      -3.222360     -0.706269      1.822192
  C      -4.540828     -0.426994      1.907635
  O      -5.306553     -0.956163      2.683690
  C      -4.973787      0.615415      0.887208
  N      -6.277591      0.592408      0.653754
  C      -6.768796      1.467732     -0.255971
  N      -6.087348      2.343894     -0.969041
  C      -4.747574      2.403970     -0.729748
  C      -3.981367      3.351239     -1.455390
  C      -2.628916      3.469837     -1.230467
  C      -1.993464      2.645885     -0.272005
  C      -2.707331      1.705523      0.441470
  C      -4.105248      1.547952      0.230805
  C      -4.069178     -0.152259      7.636500
  C      -4.833660      0.551699      8.757333
  O      -5.539386      1.712155      8.255500
  C      -6.796255      1.489157      7.804903
  O      -7.354794      0.403119      7.844648
  C      -7.435062      2.760536      7.310810
  N      -6.931962      3.896261      7.785035
  C      -7.546628      5.045424      7.418371
  N      -8.610470      5.181427      6.651483
  C      -9.130674      4.027376      6.136106
  C     -10.250546      4.116313      5.273249
  C     -10.780020      2.976162      4.706730
  C     -10.207046      1.711651      4.977030
  C      -9.122339      1.590999      5.821801
  C      -8.564072      2.743206      6.432236
  H      -2.980007      4.336117      8.312082
  H      -4.352710      3.679875      7.398646
  H      -2.950768      6.309483      6.630260
  H      -4.371737      6.163354      7.721214
  H      -7.929791      3.371910      3.456827
  H      -7.152560      5.256359     -0.647021
  H      -5.419483      6.798196     -1.582094
  H      -3.583327      7.638897     -0.122776
  H      -3.462265      6.973460      2.256061
  H      -3.653078     -0.927286      4.615485
  H      -2.076534     -1.693651      4.862121
  H      -3.281338     -2.526887      2.854410
  H      -1.677580     -1.836084      2.444749
  H      -7.849855      1.428843     -0.414982
  H      -4.505162      3.978529     -2.175902
  H      -2.042324      4.205004     -1.784623
  H      -0.920566      2.753986     -0.097933
  H      -2.207129      1.073683      1.170985
  H      -4.773531     -0.352586      6.816798
  H      -3.746548     -1.137754      8.026136
  H      -5.554795     -0.134728      9.221254
  H      -4.149808      0.949350      9.518703
  H      -7.105708      5.963716      7.819200
  H     -10.658090      5.106920      5.068165
  H     -11.637212      3.047076      4.035082
  H     -10.624011      0.820444      4.505548
  H      -8.678810      0.618882      6.020913
  N      -2.571020      3.045890      3.536353
  H      -1.822698      2.738313      2.911537
  H      -2.448192      4.050549      3.706318
  H      -3.436499      2.947022      2.999264
  N      -4.713078      1.700009      5.155658
  N      -5.842339      1.628154      4.946659
101
Coordinates from ORCA-job orca E -6762.584819206431
  N      -2.512334      3.586879      6.394346
  Mo     -2.817283      1.770552      5.548168
  N      -2.922767      0.592845      7.135641
  C      -1.690933      0.294711      7.861135
  C      -0.660542      1.383813      7.596233
  N      -0.640731      1.717125      6.146159
  C      -0.156272      3.092649      5.889470
  C      -1.156901      4.106759      6.456923
  C       0.085216      0.686993      5.356067
  C      -0.638591      0.475463      4.022272
  N      -2.066926      0.359419      4.255020
  H      -1.041839      5.062463      5.905265
  H      -0.899630      4.335346      7.512668
  H      -0.064957      3.201187      4.800961
  H       0.848567      3.252362      6.324778
  H      -0.220994     -0.414762      3.518603
  H      -0.414447      1.327739      3.352326
  H       0.054948     -0.250729      5.927667
  H       1.145809      0.972603      5.229573
  H      -1.860981      0.241149      8.953648
  H      -1.297674     -0.702669      7.569337
  H      -0.956906      2.290769      8.136018
  H       0.345123      1.089016      7.942943
  C      -3.427885      4.257321      7.291760
  C      -3.820683      5.685587      6.898535
  O      -4.763863      5.653142      5.797122
  C      -4.273520      5.701631      4.555327
  O      -3.115603      5.993214      4.264444
  C      -5.322073      5.322705      3.537882
  N      -6.281679      4.516317      3.971011
  C      -7.183917      4.077518      3.060213
  N      -7.253565      4.407818      1.782275
  C      -6.295723      5.265966      1.324176
  C      -6.343567      5.676314     -0.030174
  C      -5.382478      6.530062     -0.528521
  C      -4.342850      7.004328      0.304463
  C      -4.272600      6.629812      1.633102
  C      -5.247101      5.753578      2.176728
  C      -2.618161     -0.978923      4.227049
  C      -2.666046     -1.621502      2.834379
  O      -3.213389     -0.732985      1.824231
  C      -4.531853     -0.454996      1.914615
  O      -5.291634     -0.978184      2.699967
  C      -4.973564      0.580948      0.892016
  N      -6.277175      0.541872      0.654799
  C      -6.777555      1.414764     -0.252107
  N      -6.107146      2.307576     -0.954274
  C      -4.767527      2.383292     -0.710957
  C      -4.012199      3.346081     -1.426200
  C      -2.660163      3.476480     -1.200103
  C      -2.014789      2.645246     -0.255948
  C      -2.717553      1.690317      0.447771
  C      -4.114452      1.525139      0.240671
  C      -4.067766     -0.152819      7.635303
  C      -4.833154      0.556421      8.753301
  O      -5.535498      1.718577      8.247572
  C      -6.791309      1.498645      7.795488
  O      -7.351348      0.413841      7.831147
  C      -7.431692      2.772681      7.307739
  N      -6.940606      3.905936      7.799964
  C      -7.560695      5.055715      7.441933
  N      -8.619314      5.193417      6.668217
  C      -9.126667      4.042036      6.134541
  C     -10.241246      4.133144      5.266334
  C     -10.757575      2.995623      4.680440
  C     -10.176669      1.731891      4.938555
  C      -9.097445      1.609243      5.790908
  C      -8.552771      2.758500      6.418931
  H      -2.980422      4.331650      8.308486
  H      -4.351133      3.671769      7.395240
  H      -2.955505      6.305496      6.627854
  H      -4.376145      6.155513      7.720359
  H      -7.930946      3.374118      3.436557
  H      -7.146416      5.281448     -0.651443
  H      -5.419341      6.841533     -1.572412
  H      -3.589858      7.680137     -0.105149
  H      -3.473505      6.998472      2.273693
  H      -3.640859     -0.942002      4.623218
  H      -2.055958     -1.692665      4.870251
  H      -3.261087     -2.545337      2.868787
  H      -1.662250     -1.848446      2.453209
  H      -7.857084      1.361144     -0.416380
  H      -4.543646      3.973928     -2.141646
  H      -2.082306      4.222393     -1.747184
  H      -0.944077      2.757947     -0.087390
  H      -2.210334      1.052983      1.166051
  H      -4.771315     -0.356602      6.814838
  H      -3.747914     -1.137270      8.031055
  H      -5.558216     -0.128105      9.216555
  H      -4.149402      0.954839      9.516561
  H      -7.130150      5.971693      7.858637
  H     -10.655348      5.122888      5.070841
  H     -11.610556      3.068020      4.002834
  H     -10.583057      0.843077      4.450606
  H      -8.646760      0.638415      5.980421
  N      -2.578274      3.039606      3.531863
  H      -1.825690      2.740319      2.907503
  H      -2.466765      4.045513      3.699829
  H      -3.440978      2.929536      2.994553
  N      -4.713078      1.695588      5.155637
  N      -5.841546      1.619575      4.943816
101
Coordinates from ORCA-job orca E -6762.584897797905
  N      -2.511594      3.580067      6.391277
  Mo     -2.815530      1.762558      5.546702
  N      -2.925251      0.583465      7.131808
  C      -1.694071      0.285143      7.860728
  C      -0.662957      1.374025      7.597969
  N      -0.641842      1.710743      6.149308
  C      -0.154522      3.085157      5.894504
  C      -1.158514      4.102397      6.452432
  C       0.085585      0.683008      5.359532
  C      -0.631608      0.480591      4.021880
  N      -2.059519      0.359583      4.247751
  H      -1.042894      5.054700      5.894285
  H      -0.902472      4.339563      7.506883
  H      -0.053045      3.191863      4.805537
  H       0.847197      3.245763      6.338659
  H      -0.208346     -0.403400      3.513185
  H      -0.408650      1.339831      3.360621
  H       0.049715     -0.257624      5.925631
  H       1.147028      0.965521      5.239679
  H      -1.867047      0.232750      8.952305
  H      -1.301425     -0.711769      7.568325
  H      -0.957819      2.279924      8.139783
  H       0.342504      1.076644      7.943875
  C      -3.429923      4.251538      7.285884
  C      -3.822234      5.679369      6.888566
  O      -4.766410      5.644497      5.787833
  C      -4.279316      5.696130      4.546258
  O      -3.122211      5.987585      4.252367
  C      -5.328321      5.314952      3.530104
  N      -6.277938      4.495419      3.961139
  C      -7.177326      4.051297      3.050353
  N      -7.251943      4.386568      1.774724
  C      -6.306221      5.260489      1.319266
  C      -6.361512      5.678103     -0.032812
  C      -5.416518      6.552376     -0.525484
  C      -4.384140      7.037632      0.310164
  C      -4.303169      6.651834      1.633500
  C      -5.262680      5.756519      2.172179
  C      -2.602617     -0.982427      4.228169
  C      -2.649519     -1.633013      2.838356
  O      -3.206193     -0.753287      1.824888
  C      -4.525503     -0.478859      1.919848
  O      -5.281233     -0.999336      2.711563
  C      -4.973056      0.551612      0.895389
  N      -6.274364      0.500636      0.652109
  C      -6.779812      1.376246     -0.249184
  N      -6.116358      2.285191     -0.936606
  C      -4.779300      2.372286     -0.687675
  C      -4.031781      3.354555     -1.385557
  C      -2.682207      3.498326     -1.152065
  C      -2.031253      2.660747     -0.218771
  C      -2.726040      1.686626      0.467961
  C      -4.120790      1.508722      0.254457
  C      -4.071115     -0.159963      7.632207
  C      -4.838078      0.551626      8.745749
  O      -5.532459      1.716545      8.239256
  C      -6.789751      1.505176      7.786383
  O      -7.357381      0.424306      7.823567
  C      -7.419564      2.783547      7.298203
  N      -6.921787      3.913316      7.792776
  C      -7.532930      5.067536      7.433038
  N      -8.587384      5.212722      6.655247
  C      -9.100714      4.065275      6.119272
  C     -10.210420      4.164889      5.245229
  C     -10.732261      3.031261      4.657393
  C     -10.161961      1.763302      4.918204
  C      -9.086997      1.632022      5.775021
  C      -8.537337      2.777041      6.405799
  H      -2.983771      4.328962      8.303414
  H      -4.352817      3.666104      7.390360
  H      -2.956932      6.298714      6.615717
  H      -4.377070      6.152550      7.709711
  H      -7.914986      3.336327      3.424824
  H      -7.157929      5.273579     -0.656814
  H      -5.458894      6.870826     -1.568744
  H      -3.644342      7.729361     -0.096253
  H      -3.507920      7.027123      2.273838
  H      -3.624303     -0.949761      4.626881
  H      -2.033727     -1.688030      4.873889
  H      -3.237870     -2.562011      2.879185
  H      -1.644098     -1.854126      2.456268
  H      -7.857380      1.310736     -0.420954
  H      -4.566007      3.987657     -2.092066
  H      -2.110468      4.261193     -1.683902
  H      -0.960728      2.786638     -0.041499
  H      -2.213848      1.046459      1.180187
  H      -4.773589     -0.364259      6.812137
  H      -3.750749     -1.142777      8.029198
  H      -5.568027     -0.127388      9.204991
  H      -4.157237      0.944781      9.511186
  H      -7.098587      5.981182      7.850633
  H     -10.615940      5.158112      5.047702
  H     -11.581915      3.110381      3.976670
  H     -10.573032      0.878000      4.428889
  H      -8.644485      0.657691      5.966342
  N      -2.575992      3.037191      3.534288
  H      -1.820248      2.742200      2.912576
  H      -2.472814      4.044485      3.698358
  H      -3.436476      2.917460      2.994258
  N      -4.709513      1.685205      5.149332
  N      -5.838236      1.606135      4.939968
101
Coordinates from ORCA-job orca E -6762.584933498756
  N      -2.500211      3.573680      6.401356
  Mo     -2.795773      1.761254      5.542314
  N      -2.925678      0.579783      7.124624
  C      -1.703950      0.281370      7.869855
  C      -0.669309      1.369465      7.619745
  N      -0.630832      1.705047      6.169795
  C      -0.143393      3.079557      5.915864
  C      -1.146485      4.095565      6.474171
  C       0.105383      0.676350      5.387627
  C      -0.596979      0.473168      4.041670
  N      -2.027895      0.356745      4.252510
  H      -1.027377      5.048365      5.921999
  H      -0.894377      4.327588      7.531477
  H      -0.046190      3.185063      4.826487
  H       0.859230      3.240410      6.356220
  H      -0.170929     -0.414613      3.540577
  H      -0.362907      1.329202      3.378956
  H       0.063192     -0.264038      5.954244
  H       1.168198      0.958718      5.279526
  H      -1.891307      0.228675      8.959312
  H      -1.306717     -0.716060      7.583607
  H      -0.971858      2.276438      8.157530
  H       0.332645      1.071119      7.978529
  C      -3.422314      4.238173      7.296177
  C      -3.826963      5.662275      6.901494
  O      -4.769061      5.616722      5.799344
  C      -4.285275      5.696507      4.557788
  O      -3.142206      6.039582      4.265961
  C      -5.322428      5.280817      3.542091
  N      -6.234405      4.419078      3.972112
  C      -7.122114      3.945727      3.063833
  N      -7.220312      4.289819      1.791907
  C      -6.313613      5.204660      1.337584
  C      -6.399763      5.634478     -0.009731
  C      -5.497741      6.553408     -0.499823
  C      -4.477386      7.071542      0.331775
  C      -4.365249      6.673592      1.647823
  C      -5.283234      5.735144      2.186381
  C      -2.574045     -0.984653      4.227224
  C      -2.617463     -1.633677      2.837671
  O      -3.196615     -0.761685      1.831419
  C      -4.524825     -0.534962      1.922500
  O      -5.267840     -1.101553      2.695047
  C      -5.001889      0.493614      0.908386
  N      -6.299859      0.402124      0.656842
  C      -6.827803      1.266328     -0.242864
  N      -6.189314      2.198297     -0.924585
  C      -4.857519      2.327845     -0.666201
  C      -4.138662      3.335426     -1.357371
  C      -2.797445      3.522251     -1.113311
  C      -2.125784      2.705972     -0.172578
  C      -2.792899      1.708497      0.507255
  C      -4.178252      1.483932      0.280086
  C      -4.078564     -0.164065      7.607694
  C      -4.851929      0.540663      8.722514
  O      -5.534891      1.716298      8.222148
  C      -6.781824      1.517937      7.733131
  O      -7.346374      0.435144      7.716384
  C      -7.403917      2.812776      7.277945
  N      -6.925696      3.923061      7.831647
  C      -7.527693      5.089267      7.498375
  N      -8.556108      5.263687      6.692142
  C      -9.048641      4.137275      6.095015
  C     -10.125703      4.270460      5.184568
  C     -10.622810      3.161159      4.534027
  C     -10.060872      1.884387      4.767377
  C      -9.018956      1.720027      5.657548
  C      -8.493221      2.839517      6.351148
  H      -2.977265      4.316303      8.313904
  H      -4.341030      3.646162      7.398479
  H      -2.968333      6.290490      6.629508
  H      -4.386776      6.127728      7.722431
  H      -7.827755      3.199050      3.437162
  H      -7.185728      5.205097     -0.631678
  H      -5.564360      6.881283     -1.539222
  H      -3.771718      7.798849     -0.072879
  H      -3.579749      7.074025      2.285038
  H      -3.597373     -0.952728      4.621995
  H      -2.008406     -1.692679      4.873707
  H      -3.190203     -2.571746      2.880668
  H      -1.611758     -1.837901      2.449344
  H      -7.902653      1.167678     -0.419932
  H      -4.689176      3.952909     -2.067315
  H      -2.248141      4.304477     -1.639677
  H      -1.062319      2.867374      0.015876
  H      -2.265278      1.083853      1.223410
  H      -4.774737     -0.358211      6.779324
  H      -3.766124     -1.152388      7.998576
  H      -5.589507     -0.141390      9.170000
  H      -4.173785      0.922657      9.499047
  H      -7.108916      5.986102      7.965873
  H     -10.524968      5.270349      5.010346
  H     -11.445258      3.266900      3.824458
  H     -10.451053      1.019120      4.229846
  H      -8.583441      0.738874      5.827971
  N      -2.521776      3.048240      3.542518
  H      -1.747826      2.765083      2.937588
  H      -2.433161      4.055594      3.716636
  H      -3.367639      2.924431      2.980832
  N      -4.684976      1.685167      5.122123
  N      -5.810840      1.601666      4.897645
101
Coordinates from ORCA-job orca E -6762.584995633307
  N      -2.483272      3.574340      6.403434
  Mo     -2.773310      1.763563      5.538440
  N      -2.916437      0.581043      7.118329
  C      -1.700982      0.286336      7.877274
  C      -0.664484      1.373940      7.634007
  N      -0.614875      1.707879      6.183637
  C      -0.125294      3.081124      5.930343
  C      -1.130914      4.098910      6.480353
  C       0.127469      0.679066      5.407435
  C      -0.561490      0.481099      4.053524
  N      -1.994397      0.364153      4.250168
  H      -1.010468      5.047976      5.923392
  H      -0.882419      4.338570      7.537243
  H      -0.022937      3.183638      4.840625
  H       0.875135      3.242780      6.374915
  H      -0.130254     -0.404853      3.553627
  H      -0.321230      1.339393      3.395790
  H       0.076588     -0.262560      5.971367
  H       1.191985      0.958486      5.311279
  H      -1.899495      0.236674      8.964861
  H      -1.300092     -0.711385      7.597358
  H      -0.971380      2.281941      8.168475
  H       0.335375      1.074920      8.000759
  C      -3.412306      4.241876      7.288159
  C      -3.800241      5.669660      6.890446
  O      -4.722397      5.633440      5.771151
  C      -4.216242      5.711639      4.538205
  O      -3.061404      6.029989      4.267851
  C      -5.248442      5.334702      3.502397
  N      -6.190134      4.496386      3.913141
  C      -7.079350      4.055121      2.990091
  N      -7.151126      4.412568      1.720623
  C      -6.215014      5.307622      1.286342
  C      -6.277202      5.755922     -0.056459
  C      -5.351448      6.662254     -0.524496
  C      -4.327705      7.145899      0.323771
  C      -4.234485      6.725147      1.633327
  C      -5.180284      5.802029      2.151467
  C      -2.534869     -0.980292      4.230487
  C      -2.586148     -1.633528      2.843339
  O      -3.207407     -0.778258      1.848375
  C      -4.541091     -0.595696      1.961176
  O      -5.252541     -1.188716      2.744103
  C      -5.066679      0.425005      0.963064
  N      -6.364679      0.294869      0.729802
  C      -6.932529      1.149483     -0.154670
  N      -6.333949      2.107304     -0.837368
  C      -5.003441      2.276063     -0.598140
  C      -4.327464      3.312990     -1.289618
  C      -2.990103      3.540445     -1.062817
  C      -2.278757      2.736899     -0.139577
  C      -2.903481      1.712025      0.540050
  C      -4.284254      1.445659      0.330797
  C      -4.071373     -0.166318      7.591217
  C      -4.859074      0.535874      8.697472
  O      -5.553253      1.702263      8.191699
  C      -6.801232      1.490540      7.709478
  O      -7.358074      0.403550      7.705814
  C      -7.437664      2.777720      7.251970
  N      -6.964210      3.895182      7.794886
  C      -7.575138      5.054752      7.455009
  N      -8.607585      5.216225      6.651001
  C      -9.095548      4.081920      6.065047
  C     -10.175339      4.201054      5.155252
  C     -10.666110      3.083608      4.515126
  C     -10.095509      1.812424      4.758014
  C      -9.050707      1.661734      5.646826
  C      -8.531277      2.789803      6.330451
  H      -2.979255      4.315958      8.311406
  H      -4.335549      3.655667      7.378344
  H      -2.932887      6.291990      6.633382
  H      -4.368998      6.137744      7.703409
  H      -7.808206      3.323699      3.347492
  H      -7.066906      5.352905     -0.692117
  H      -5.401160      7.006096     -1.560234
  H      -3.603913      7.864460     -0.064195
  H      -3.445629      7.098742      2.282265
  H      -3.555351     -0.954335      4.632614
  H      -1.960462     -1.683210      4.874448
  H      -3.135035     -2.585274      2.898774
  H      -1.582861     -1.814057      2.437675
  H      -8.006505      1.017811     -0.317039
  H      -4.907371      3.920850     -1.984349
  H      -2.474480      4.346467     -1.587738
  H      -1.218388      2.931682      0.037056
  H      -2.345232      1.098821      1.243954
  H      -4.758460     -0.365390      6.756960
  H      -3.757197     -1.152031      7.986810
  H      -5.591575     -0.151818      9.143944
  H      -4.189375      0.927242      9.476005
  H      -7.160112      5.958322      7.913373
  H     -10.580745      5.197095      4.973210
  H     -11.489250      3.178859      3.805260
  H     -10.479342      0.941009      4.227450
  H      -8.607023      0.685235      5.822661
  N      -2.480831      3.065501      3.552583
  H      -1.689345      2.800886      2.962647
  H      -2.416046      4.073271      3.732242
  H      -3.312031      2.927033      2.972571
  N      -4.658426      1.683100      5.102424
  N      -5.782644      1.591947      4.873291
101
Coordinates from ORCA-job orca E -6762.585006365459
  N      -2.455937      3.568616      6.408651
  Mo     -2.755284      1.764028      5.536033
  N      -2.918537      0.580072      7.111922
  C      -1.712184      0.277918      7.882133
  C      -0.665016      1.357688      7.646594
  N      -0.600846      1.690205      6.197130
  C      -0.095693      3.059054      5.948902
  C      -1.101376      4.087693      6.482703
  C       0.136822      0.653337      5.427418
  C      -0.541078      0.467198      4.065630
  N      -1.978204      0.365059      4.246086
  H      -0.975188      5.031532      5.914532
  H      -0.857343      4.339126      7.537160
  H       0.024854      3.159800      4.861619
  H       0.899110      3.211477      6.408834
  H      -0.114796     -0.420373      3.564924
  H      -0.285439      1.325407      3.415241
  H       0.066916     -0.288337      5.989028
  H       1.206235      0.919260      5.343379
  H      -1.920780      0.231986      8.968081
  H      -1.316865     -0.723312      7.607873
  H      -0.968654      2.268437      8.176947
  H       0.328585      1.051869      8.021616
  C      -3.378723      4.234705      7.301127
  C      -3.776206      5.659673      6.902825
  O      -4.722674      5.616497      5.804764
  C      -4.244959      5.676956      4.559210
  O      -3.089332      5.962312      4.258291
  C      -5.307327      5.309090      3.552016
  N      -6.248687      4.484728      3.989260
  C      -7.163903      4.048653      3.089264
  N      -7.263563      4.403089      1.821044
  C      -6.330576      5.288439      1.362159
  C      -6.423213      5.736525      0.021904
  C      -5.498353      6.630768     -0.473722
  C      -4.445878      7.102065      0.345107
  C      -4.324468      6.681921      1.655058
  C      -5.267541      5.770982      2.198902
  C      -2.532363     -0.973540      4.218996
  C      -2.581071     -1.626039      2.831137
  O      -3.186317     -0.767362      1.829592
  C      -4.518160     -0.561767      1.932664
  O      -5.242200     -1.127595      2.723471
  C      -5.018739      0.459133      0.922806
  N      -6.317757      0.352412      0.682132
  C      -6.861783      1.206766     -0.216810
  N      -6.239693      2.143329     -0.907277
  C      -4.906983      2.286893     -0.661788
  C      -4.203822      3.299083     -1.362414
  C      -2.863035      3.502116     -1.128944
  C      -2.175114      2.694319     -0.193834
  C      -2.825628      1.692076      0.494828
  C      -4.211173      1.454135      0.282171
  C      -4.084800     -0.152770      7.580201
  C      -4.872687      0.565358      8.675752
  O      -5.553584      1.734080      8.158492
  C      -6.808147      1.530691      7.693232
  O      -7.382546      0.453195      7.723394
  C      -7.434104      2.816681      7.217072
  N      -6.940048      3.939537      7.729318
  C      -7.548363      5.098279      7.379394
  N      -8.597673      5.253239      6.595815
  C      -9.107836      4.112333      6.042556
  C     -10.212811      4.221907      5.162978
  C     -10.725740      3.095931      4.554527
  C     -10.153762      1.825704      4.801599
  C      -9.086520      1.684474      5.665532
  C      -8.545150      2.821380      6.316919
  H      -2.934945      4.313840      8.319330
  H      -4.298373      3.644550      7.403472
  H      -2.914515      6.280572      6.623265
  H      -4.328139      6.132567      7.725118
  H      -7.886951      3.321343      3.464944
  H      -7.235368      5.342832     -0.589830
  H      -5.571644      6.974038     -1.506961
  H      -3.723930      7.811739     -0.063524
  H      -3.514282      7.046906      2.283356
  H      -3.555501     -0.937478      4.613594
  H      -1.970214     -1.683078      4.866096
  H      -3.139255     -2.572283      2.884326
  H      -1.576348     -1.816646      2.432553
  H      -7.936725      1.095058     -0.385211
  H      -4.765833      3.909550     -2.068674
  H      -2.327591      4.290851     -1.659722
  H      -1.112742      2.866780     -0.015819
  H      -2.284711      1.077054      1.209591
  H      -4.767750     -0.350430      6.742280
  H      -3.783832     -1.138861      7.985308
  H      -5.613946     -0.111291      9.122053
  H      -4.204856      0.956211      9.454825
  H      -7.118157      6.006493      7.814016
  H     -10.618531      5.216867      4.975818
  H     -11.567246      3.183486      3.865168
  H     -10.554360      0.947291      4.293302
  H      -8.640590      0.709255      5.843661
  N      -2.440563      3.073423      3.560010
  H      -1.643494      2.812506      2.975903
  H      -2.375667      4.079726      3.745211
  H      -3.265510      2.938332      2.971127
  N      -4.638286      1.698235      5.086896
  N      -5.761471      1.614583      4.852853
101
Coordinates from ORCA-job orca E -6762.585111884552
  N      -2.443557      3.565707      6.416231
  Mo     -2.744375      1.763065      5.540953
  N      -2.911859      0.579070      7.116809
  C      -1.709253      0.275600      7.890381
  C      -0.659275      1.352615      7.656666
  N      -0.590624      1.682993      6.207313
  C      -0.081204      3.051162      5.962351
  C      -1.087481      4.082108      6.492001
  C       0.145061      0.642534      5.439325
  C      -0.530761      0.458043      4.075696
  N      -1.969365      0.360701      4.253450
  H      -0.959284      5.024532      5.921708
  H      -0.846435      4.335824      7.546272
  H       0.045288      3.152424      4.876727
  H       0.911764      3.200319      6.427441
  H      -0.107788     -0.431867      3.575482
  H      -0.270514      1.314518      3.425357
  H       0.069137     -0.298507      6.001312
  H       1.216042      0.904337      5.358305
  H      -1.921109      0.231519      8.975733
  H      -1.314969     -0.727291      7.620067
  H      -0.962306      2.264908      8.184157
  H       0.331648      1.045716      8.034732
  C      -3.366670      4.232023      7.308395
  C      -3.767127      5.656111      6.909828
  O      -4.708976      5.610956      5.807846
  C      -4.224916      5.689336      4.565880
  O      -3.072900      6.000817      4.275079
  C      -5.271867      5.306363      3.548076
  N      -6.200711      4.460880      3.971175
  C      -7.096983      4.011313      3.058703
  N      -7.192573      4.372847      1.791815
  C      -6.272701      5.278813      1.347865
  C      -6.360760      5.734208      0.009995
  C      -5.446345      6.647150     -0.471758
  C      -4.408234      7.129032      0.359056
  C      -4.293350      6.703594      1.668964
  C      -5.226703      5.775007      2.198022
  C      -2.526243     -0.976676      4.225583
  C      -2.588712     -1.618087      2.833937
  O      -3.222985     -0.757962      1.852427
  C      -4.558770     -0.588058      1.969964
  O      -5.262112     -1.196334      2.747885
  C      -5.096120      0.433581      0.979897
  N      -6.390819      0.281498      0.735431
  C      -6.967055      1.131374     -0.147228
  N      -6.381605      2.104452     -0.819264
  C      -5.054823      2.294941     -0.568647
  C      -4.390188      3.342991     -1.252906
  C      -3.058081      3.593185     -1.013964
  C      -2.340572      2.797067     -0.091115
  C      -2.952378      1.758971      0.579022
  C      -4.327265      1.472181      0.360554
  C      -4.080619     -0.151262      7.582406
  C      -4.869694      0.572211      8.673939
  O      -5.543217      1.741329      8.146304
  C      -6.794398      1.540442      7.672796
  O      -7.371354      0.464754      7.695794
  C      -7.400482      2.820534      7.156346
  N      -6.911283      3.950170      7.657566
  C      -7.504953      5.105259      7.271716
  N      -8.535459      5.250567      6.461888
  C      -9.039930      4.101846      5.919808
  C     -10.125856      4.199841      5.015906
  C     -10.633296      3.064511      4.419364
  C     -10.074732      1.796079      4.703919
  C      -9.026614      1.666473      5.592962
  C      -8.490729      2.813750      6.231127
  H      -2.923852      4.311505      8.326917
  H      -4.285865      3.640208      7.409771
  H      -2.905928      6.279482      6.634162
  H      -4.323895      6.126330      7.730421
  H      -7.810322      3.268494      3.423149
  H      -7.162045      5.332276     -0.610378
  H      -5.518115      6.998732     -1.501894
  H      -3.693440      7.852214     -0.038128
  H      -3.494646      7.077115      2.307659
  H      -3.546367     -0.942594      4.629291
  H      -1.959309     -1.691098      4.863768
  H      -3.133023     -2.571760      2.888162
  H      -1.588501     -1.791412      2.416829
  H      -8.036347      0.979814     -0.321126
  H      -4.974483      3.940218     -1.953185
  H      -2.553002      4.408966     -1.532469
  H      -1.285652      3.005115      0.089379
  H      -2.388477      1.150970      1.280421
  H      -4.761194     -0.349919      6.742128
  H      -3.784199     -1.137219      7.992160
  H      -5.615913     -0.101766      9.120130
  H      -4.202270      0.965502      9.454922
  H      -7.079552      6.018873      7.699033
  H     -10.522261      5.192835      4.801002
  H     -11.460636      3.142569      3.711529
  H     -10.471657      0.909232      4.206229
  H      -8.592910      0.691987      5.802696
  N      -2.416953      3.068187      3.564236
  H      -1.604283      2.820985      2.994553
  H      -2.371605      4.075851      3.749911
  H      -3.228650      2.918786      2.960780
  N      -4.627462      1.699842      5.087241
  N      -5.749846      1.613713      4.847365
101
Coordinates from ORCA-job orca E -6762.585150065590
  N      -2.469162      3.564478      6.414979
  Mo     -2.738845      1.759013      5.533363
  N      -2.917975      0.571848      7.106540
  C      -1.722173      0.276126      7.894543
  C      -0.680604      1.364321      7.679936
  N      -0.595936      1.699054      6.232112
  C      -0.097510      3.071667      5.993670
  C      -1.118768      4.092677      6.512062
  C       0.160985      0.667125      5.474053
  C      -0.492546      0.475717      4.101452
  N      -1.931157      0.364906      4.259665
  H      -0.990110      5.035035      5.945111
  H      -0.893972      4.347269      7.569949
  H       0.037926      3.174782      4.908004
  H       0.889946      3.230751      6.467758
  H      -0.054132     -0.411239      3.609642
  H      -0.231598      1.333467      3.452111
  H       0.086064     -0.274871      6.034216
  H       1.229620      0.938888      5.408555
  H      -1.948558      0.224755      8.976382
  H      -1.314638     -0.721606      7.624520
  H      -1.001157      2.271773      8.206346
  H       0.309239      1.065209      8.070812
  C      -3.414310      4.227825      7.286261
  C      -3.816423      5.647817      6.874212
  O      -4.738680      5.593833      5.755384
  C      -4.237698      5.682609      4.520917
  O      -3.090237      6.025240      4.247483
  C      -5.269769      5.298903      3.486688
  N      -6.204303      4.451914      3.894974
  C      -7.096104      4.013724      2.972519
  N      -7.183472      4.390618      1.709479
  C      -6.253467      5.293316      1.278488
  C      -6.328902      5.759538     -0.057368
  C      -5.404190      6.667837     -0.524388
  C      -4.368598      7.135048      0.318137
  C      -4.265780      6.700108      1.622946
  C      -5.210022      5.775990      2.139298
  C      -2.477645     -0.976478      4.223409
  C      -2.529301     -1.610566      2.828318
  O      -3.191280     -0.758475      1.858357
  C      -4.533030     -0.640239      1.972672
  O      -5.216279     -1.290063      2.735607
  C      -5.104737      0.365470      0.985510
  N      -6.394098      0.172515      0.743464
  C      -6.998700      1.004700     -0.137085
  N      -6.444445      1.993435     -0.813708
  C      -5.124613      2.225744     -0.566196
  C      -4.494062      3.291709     -1.255956
  C      -3.171752      3.587419     -1.017471
  C      -2.430466      2.823640     -0.085165
  C      -3.008631      1.767850      0.588927
  C      -4.371610      1.430487      0.366638
  C      -4.080452     -0.181241      7.550999
  C      -4.875466      0.498783      8.665280
  O      -5.553734      1.682047      8.179471
  C      -6.794414      1.493677      7.672225
  O      -7.355936      0.410861      7.615029
  C      -7.408936      2.798629      7.238088
  N      -6.947289      3.892736      7.834885
  C      -7.541834      5.067049      7.517843
  N      -8.545612      5.263128      6.685989
  C      -9.019262      4.153500      6.043789
  C     -10.064666      4.312094      5.100762
  C     -10.542105      3.220589      4.407392
  C      -9.991229      1.936809      4.627886
  C      -8.978755      1.747713      5.546587
  C      -8.472200      2.849090      6.282870
  H      -2.991207      4.313749      8.312849
  H      -4.331976      3.630916      7.371557
  H      -2.954516      6.275897      6.612087
  H      -4.390425      6.117880      7.682600
  H      -7.822555      3.278420      3.328589
  H      -7.128923      5.368643     -0.688011
  H      -5.464230      7.025520     -1.554945
  H      -3.644070      7.852697     -0.068912
  H      -3.468205      7.060980      2.268573
  H      -3.499792     -0.953384      4.622192
  H      -1.908425     -1.689334      4.860639
  H      -3.049056     -2.578971      2.878905
  H      -1.526668     -1.755282      2.406325
  H      -8.063710      0.820611     -0.306969
  H      -5.096335      3.866008     -1.959384
  H      -2.693347      4.418134     -1.539379
  H      -1.382127      3.071860      0.100855
  H      -2.425200      1.183030      1.294981
  H      -4.758157     -0.362115      6.704921
  H      -3.774625     -1.175507      7.931354
  H      -5.617573     -0.194919      9.086513
  H      -4.211674      0.866999      9.460765
  H      -7.136958      5.950856      8.020697
  H     -10.456771      5.316901      4.939070
  H     -11.340694      3.346178      3.674363
  H     -10.366057      1.085701      4.058425
  H      -8.554883      0.760248      5.709719
  N      -2.381690      3.066820      3.564488
  H      -1.547801      2.834988      3.019617
  H      -2.361048      4.075977      3.751510
  H      -3.173031      2.902271      2.936497
  N      -4.612944      1.675609      5.048387
  N      -5.730809      1.576687      4.791393
101
Coordinates from ORCA-job orca E -6762.585467094386
  N      -2.438403      3.570115      6.431495
  Mo     -2.723949      1.772367      5.539711
  N      -2.914021      0.580295      7.107555
  C      -1.722380      0.276491      7.899407
  C      -0.671083      1.356123      7.686804
  N      -0.582051      1.692540      6.239396
  C      -0.071196      3.061036      6.004930
  C      -1.084482      4.089447      6.525037
  C       0.166054      0.655959      5.479067
  C      -0.486518      0.477212      4.104191
  N      -1.926665      0.378545      4.259003
  H      -0.950560      5.031043      5.957296
  H      -0.855873      4.343322      7.582303
  H       0.067138      3.165867      4.919939
  H       0.916572      3.210226      6.481129
  H      -0.055399     -0.411447      3.608966
  H      -0.216668      1.335320      3.459227
  H       0.079354     -0.287541      6.035032
  H       1.237853      0.916650      5.417250
  H      -1.952165      0.227308      8.980747
  H      -1.322006     -0.724496      7.630907
  H      -0.984349      2.265727      8.214003
  H       0.315834      1.048130      8.078232
  C      -3.375336      4.234716      7.310334
  C      -3.772581      5.657487      6.904751
  O      -4.695694      5.609630      5.786830
  C      -4.195589      5.707038      4.552559
  O      -3.045396      6.041312      4.281192
  C      -5.224424      5.316332      3.518512
  N      -6.146178      4.455426      3.926055
  C      -7.036666      4.011298      3.005409
  N      -7.135472      4.394922      1.745564
  C      -6.220836      5.313776      1.316226
  C      -6.313038      5.790815     -0.014471
  C      -5.404268      6.715559     -0.481124
  C      -4.368665      7.189659      0.357336
  C      -4.249783      6.744645      1.658052
  C      -5.177770      5.803285      2.173838
  C      -2.480737     -0.960152      4.225023
  C      -2.537223     -1.598645      2.831966
  O      -3.210773     -0.756152      1.862263
  C      -4.554235     -0.655839      1.976623
  O      -5.227000     -1.301031      2.752722
  C      -5.137268      0.343672      0.990655
  N      -6.427003      0.143864      0.755096
  C      -7.038268      0.968140     -0.128229
  N      -6.490905      1.955169     -0.813082
  C      -5.170506      2.193142     -0.573540
  C      -4.546501      3.257324     -1.271856
  C      -3.224002      3.558756     -1.040955
  C      -2.476090      2.802292     -0.108444
  C      -3.047611      1.748480      0.574380
  C      -4.410723      1.406462      0.361007
  C      -4.082345     -0.166843      7.546661
  C      -4.887189      0.524806      8.646406
  O      -5.561477      1.702184      8.140233
  C      -6.800574      1.505171      7.632933
  O      -7.368292      0.424427      7.610544
  C      -7.417577      2.801807      7.175833
  N      -6.949712      3.908936      7.742928
  C      -7.548039      5.076105      7.405571
  N      -8.562306      5.252940      6.581977
  C      -9.043014      4.129098      5.970753
  C     -10.103501      4.265065      5.041202
  C     -10.589120      3.157589      4.379625
  C     -10.030957      1.880031      4.618601
  C      -9.003733      1.713105      5.525131
  C      -8.490719      2.830929      6.231201
  H      -2.946899      4.315281      8.334984
  H      -4.294944      3.641551      7.398356
  H      -2.908866      6.283107      6.642845
  H      -4.343697      6.126878      7.715621
  H      -7.747194      3.259923      3.358590
  H      -7.112892      5.394695     -0.641754
  H      -5.476624      7.080220     -1.507985
  H      -3.657192      7.921080     -0.029148
  H      -3.452711      7.111765      2.300923
  H      -3.501997     -0.932231      4.625884
  H      -1.913486     -1.673993      4.862744
  H      -3.049868     -2.570288      2.889264
  H      -1.536071     -1.738030      2.404672
  H      -8.103724      0.780182     -0.291207
  H      -5.154067      3.826941     -1.974799
  H      -2.751231      4.388720     -1.568738
  H      -1.428802      3.055279      0.071717
  H      -2.458856      1.170153      1.282139
  H      -4.752660     -0.351603      6.695722
  H      -3.782520     -1.159263      7.937022
  H      -5.633444     -0.163905      9.067841
  H      -4.231124      0.901663      9.443793
  H      -7.138815      5.971135      7.885003
  H     -10.500121      5.265357      4.863440
  H     -11.398231      3.265743      3.655435
  H     -10.410426      1.016373      4.071477
  H      -8.571865      0.731099      5.700052
  N      -2.358445      3.092612      3.581905
  H      -1.521133      2.867605      3.039892
  H      -2.341936      4.100126      3.775898
  H      -3.145205      2.930194      2.948284
  N      -4.598784      1.704341      5.053910
  N      -5.717146      1.612464      4.797803
101
Coordinates from ORCA-job orca E -6762.585652940447
  N      -2.400684      3.554956      6.432444
  Mo     -2.680271      1.761245      5.532467
  N      -2.901739      0.572247      7.097941
  C      -1.726236      0.266175      7.912642
  C      -0.664639      1.338967      7.713741
  N      -0.549831      1.671729      6.267034
  C      -0.028085      3.037326      6.039757
  C      -1.046434      4.071818      6.539531
  C       0.204370      0.629402      5.519921
  C      -0.425405      0.455553      4.133275
  N      -1.869385      0.365980      4.263295
  H      -0.902888      5.009911      5.966948
  H      -0.832015      4.332806      7.597768
  H       0.131125      3.139955      4.958154
  H       0.951083      3.182067      6.533892
  H       0.007446     -0.435895      3.644427
  H      -0.139030      1.311383      3.493386
  H       0.099347     -0.313439      6.073990
  H       1.279523      0.881800      5.477848
  H      -1.975977      0.224036      8.990066
  H      -1.327282     -0.738827      7.657344
  H      -0.981107      2.252049      8.232735
  H       0.313570      1.026762      8.122130
  C      -3.344185      4.219449      7.303782
  C      -3.743654      5.637638      6.887517
  O      -4.668576      5.578909      5.771870
  C      -4.170555      5.652459      4.534574
  O      -3.012607      5.951545      4.255970
  C      -5.218265      5.298279      3.507017
  N      -6.149915      4.447502      3.911905
  C      -7.059825      4.035235      2.995421
  N      -7.173269      4.448822      1.746458
  C      -6.251080      5.362173      1.322978
  C      -6.361098      5.874832      0.007452
  C      -5.440335      6.789009     -0.457981
  C      -4.376237      7.218707      0.368399
  C      -4.242284      6.741356      1.657709
  C      -5.181534      5.809432      2.170994
  C      -2.428283     -0.970629      4.223348
  C      -2.492032     -1.595419      2.825522
  O      -3.202092     -0.756742      1.880158
  C      -4.548311     -0.708884      2.003514
  O      -5.190946     -1.392825      2.771993
  C      -5.171920      0.290566      1.043805
  N      -6.452824      0.044380      0.800225
  C      -7.093511      0.860508     -0.069147
  N      -6.584018      1.880569     -0.734713
  C      -5.274799      2.167047     -0.484787
  C      -4.692278      3.270059     -1.157584
  C      -3.385719      3.624228     -0.909949
  C      -2.612691      2.882447      0.013003
  C      -3.142268      1.791217      0.670210
  C      -4.487708      1.395327      0.439653
  C      -4.083951     -0.161692      7.521611
  C      -4.901793      0.550699      8.598624
  O      -5.556367      1.728990      8.066871
  C      -6.793894      1.537736      7.555057
  O      -7.376918      0.465147      7.556039
  C      -7.396808      2.832628      7.071026
  N      -6.918835      3.946587      7.615479
  C      -7.513574      5.111441      7.261720
  N      -8.536487      5.278824      6.446587
  C      -9.029147      4.147008      5.860324
  C     -10.106774      4.270137      4.948999
  C     -10.602715      3.153267      4.310806
  C     -10.039152      1.878975      4.557120
  C      -8.998179      1.724574      5.450158
  C      -8.476292      2.851791      6.133876
  H      -2.920263      4.307705      8.329303
  H      -4.261527      3.622584      7.391418
  H      -2.880521      6.260673      6.617928
  H      -4.313044      6.114150      7.695477
  H      -7.766246      3.276634      3.338754
  H      -7.183970      5.512820     -0.610038
  H      -5.525186      7.178126     -1.473792
  H      -3.655806      7.943119     -0.016106
  H      -3.424951      7.076878      2.293322
  H      -3.448427     -0.944360      4.627697
  H      -1.861089     -1.690400      4.854316
  H      -2.981415     -2.578668      2.879876
  H      -1.494848     -1.706299      2.380919
  H      -8.151090      0.635805     -0.236868
  H      -5.319926      3.828469     -1.852455
  H      -2.947133      4.485336     -1.415836
  H      -1.580742      3.177248      0.207092
  H      -2.533829      1.226351      1.372301
  H      -4.740526     -0.348071      6.660279
  H      -3.800657     -1.153303      7.927188
  H      -5.661870     -0.125921      9.015109
  H      -4.256151      0.931471      9.402737
  H      -7.098597      6.012078      7.725927
  H     -10.505912      5.267898      4.763285
  H     -11.422409      3.251410      3.597034
  H     -10.424672      1.007964      4.025207
  H      -8.559250      0.746146      5.628078
  N      -2.276774      3.088282      3.587900
  H      -1.423610      2.875225      3.065638
  H      -2.271892      4.093988      3.788844
  H      -3.045249      2.923657      2.933480
  N      -4.547789      1.694989      5.016128
  N      -5.661419      1.598844      4.743008
101
Coordinates from ORCA-job orca E -6762.585904791398
  N      -2.387377      3.552941      6.443493
  Mo     -2.660707      1.762400      5.535286
  N      -2.900770      0.570006      7.095655
  C      -1.733982      0.258976      7.921064
  C      -0.667939      1.329774      7.736266
  N      -0.538240      1.667092      6.292100
  C      -0.011186      3.031983      6.074474
  C      -1.033547      4.067667      6.564550
  C       0.221178      0.625310      5.549679
  C      -0.394099      0.457308      4.155939
  N      -1.839210      0.370008      4.271837
  H      -0.882516      5.005976      5.994064
  H      -0.830076      4.327748      7.625004
  H       0.161394      3.137283      4.995007
  H       0.962363      3.173474      6.580877
  H       0.041584     -0.433707      3.669029
  H      -0.100290      1.314238      3.521218
  H       0.106817     -0.319031      6.099298
  H       1.297312      0.874436      5.520134
  H      -1.994999      0.214750      8.995607
  H      -1.335349     -0.746401      7.667180
  H      -0.987184      2.241755      8.255179
  H       0.305427      1.013750      8.152895
  C      -3.337732      4.215054      7.309963
  C      -3.732842      5.636376      6.898380
  O      -4.652045      5.586171      5.777256
  C      -4.150290      5.684483      4.543309
  O      -2.994380      5.999598      4.273779
  C      -5.188111      5.327422      3.506948
  N      -6.111626      4.461825      3.899057
  C      -7.012729      4.048675      2.974470
  N      -7.130208      4.479465      1.731918
  C      -6.215758      5.406430      1.321583
  C      -6.325934      5.931497      0.011080
  C      -5.405957      6.850565     -0.445653
  C      -4.344045      7.275309      0.386107
  C      -4.212059      6.788615      1.672036
  C      -5.149982      5.850469      2.175771
  C      -2.400536     -0.965503      4.226127
  C      -2.476927     -1.578241      2.823831
  O      -3.217020     -0.740084      1.901417
  C      -4.562269     -0.719330      2.047125
  O      -5.177811     -1.424801      2.818694
  C      -5.223082      0.257614      1.090000
  N      -6.501426     -0.020740      0.867114
  C      -7.173820      0.773126      0.001390
  N      -6.698162      1.798314     -0.681306
  C      -5.392926      2.118439     -0.452401
  C      -4.846203      3.228900     -1.143197
  C      -3.545156      3.617002     -0.917249
  C      -2.742967      2.903907      0.002550
  C      -3.237092      1.805852      0.676797
  C      -4.574716      1.373977      0.467313
  C      -4.087111     -0.165200      7.506124
  C      -4.910693      0.539875      8.583251
  O      -5.562242      1.721421      8.055723
  C      -6.798912      1.534065      7.540494
  O      -7.377442      0.459176      7.520103
  C      -7.390186      2.827348      7.038835
  N      -6.918875      3.943251      7.584808
  C      -7.506164      5.107072      7.215348
  N      -8.516257      5.271471      6.383869
  C      -9.001639      4.137381      5.796081
  C     -10.065293      4.257073      4.867966
  C     -10.552001      3.137633      4.227182
  C      -9.992533      1.864227      4.487077
  C      -8.965328      1.713115      5.396613
  C      -8.453840      2.843048      6.083812
  H      -2.921365      4.297836      8.339100
  H      -4.256443      3.618762      7.388077
  H      -2.867320      6.260222      6.638073
  H      -4.306411      6.109150      7.705715
  H      -7.709726      3.275825      3.305752
  H      -7.147470      5.573194     -0.610434
  H      -5.489064      7.246029     -1.459315
  H      -3.623340      8.002765      0.008273
  H      -3.395763      7.119557      2.311338
  H      -3.418064     -0.941397      4.637407
  H      -1.830523     -1.690196      4.848489
  H      -2.950528     -2.569440      2.876930
  H      -1.485498     -1.669105      2.361773
  H      -8.227929      0.521817     -0.149494
  H      -5.496671      3.766961     -1.832858
  H      -3.134866      4.484581     -1.436014
  H      -1.716279      3.227252      0.181750
  H      -2.605559      1.263443      1.376149
  H      -4.738286     -0.344730      6.639436
  H      -3.807223     -1.159736      7.906207
  H      -5.673210     -0.138696      8.991006
  H      -4.269622      0.915066      9.393125
  H      -7.096083      6.009782      7.679667
  H     -10.460954      5.254265      4.671763
  H     -11.361198      3.232945      3.501173
  H     -10.370701      0.991033      3.953468
  H      -8.529948      0.735098      5.585515
  N      -2.230138      3.092869      3.600485
  H      -1.369515      2.882177      3.089344
  H      -2.227383      4.097714      3.806440
  H      -2.989343      2.931920      2.934212
  N      -4.522307      1.696747      4.996746
  N      -5.632578      1.599355      4.710873
101
Coordinates from ORCA-job orca E -6762.586247207856
  N      -2.374829      3.549545      6.437537
  Mo     -2.631467      1.759138      5.524389
  N      -2.899219      0.565413      7.079897
  C      -1.746456      0.252969      7.924269
  C      -0.677546      1.324190      7.760808
  N      -0.522865      1.664389      6.320157
  C       0.008834      3.028736      6.113786
  C      -1.023746      4.065183      6.581472
  C       0.249385      0.623336      5.590747
  C      -0.339706      0.457095      4.186076
  N      -1.785926      0.368388      4.278053
  H      -0.862057      5.001944      6.010970
  H      -0.840787      4.328581      7.644576
  H       0.204936      3.134147      5.038117
  H       0.971351      3.169976      6.641595
  H       0.104322     -0.433738      3.706790
  H      -0.036325      1.314403      3.556838
  H       0.122720     -0.321578      6.136591
  H       1.325902      0.871039      5.581826
  H      -2.026545      0.206867      8.993765
  H      -1.344096     -0.752027      7.675529
  H      -1.005384      2.234749      8.276323
  H       0.288314      1.006926      8.193122
  C      -3.340309      4.211882      7.287767
  C      -3.730765      5.632694      6.868376
  O      -4.643952      5.583944      5.741942
  C      -4.140087      5.692918      4.510313
  O      -2.985464      6.016170      4.244378
  C      -5.176048      5.339331      3.470974
  N      -6.098054      4.468644      3.856086
  C      -7.007828      4.073939      2.932086
  N      -7.142698      4.536681      1.702968
  C      -6.226178      5.464606      1.299688
  C      -6.346308      6.014695      0.000337
  C      -5.415351      6.922601     -0.455524
  C      -4.335554      7.315909      0.368977
  C      -4.198182      6.810874      1.646864
  C      -5.144732      5.880710      2.147725
  C      -2.344691     -0.968471      4.230445
  C      -2.434837     -1.573282      2.825640
  O      -3.212667     -0.743947      1.927064
  C      -4.556644     -0.767002      2.090979
  O      -5.138051     -1.494746      2.868899
  C      -5.257582      0.202493      1.157834
  N      -6.533359     -0.102934      0.954481
  C      -7.237526      0.682789      0.107273
  N      -6.796552      1.723364     -0.575849
  C      -5.495404      2.072025     -0.365208
  C      -4.983780      3.198436     -1.057322
  C      -3.687246      3.613534     -0.851012
  C      -2.855992      2.913499      0.051438
  C      -3.315401      1.799161      0.725166
  C      -4.645659      1.338440      0.533681
  C      -4.088346     -0.178800      7.467143
  C      -4.926198      0.505216      8.546210
  O      -5.575331      1.692144      8.029378
  C      -6.802599      1.509452      7.491055
  O      -7.377923      0.433758      7.442252
  C      -7.393132      2.812328      7.016540
  N      -6.932759      3.914035      7.599032
  C      -7.515167      5.086223      7.249620
  N      -8.510560      5.270671      6.405100
  C      -8.982396      4.152121      5.777950
  C     -10.023295      4.296324      4.827836
  C     -10.493243      3.194589      4.145133
  C      -9.937601      1.915297      4.382064
  C      -8.931382      1.739901      5.310786
  C      -8.437814      2.851062      6.041161
  H      -2.939086      4.296891      8.322928
  H      -4.259768      3.614838      7.353255
  H      -2.862344      6.255160      6.613690
  H      -4.309948      6.108330      7.670422
  H      -7.707322      3.299608      3.257067
  H      -7.184019      5.682963     -0.614255
  H      -5.504386      7.333735     -1.462783
  H      -3.605656      8.034258     -0.007842
  H      -3.368588      7.118026      2.280655
  H      -3.358932     -0.949365      4.650063
  H      -1.767874     -1.693405      4.845518
  H      -2.885395     -2.575494      2.880596
  H      -1.450609     -1.637099      2.343507
  H      -8.287232      0.407071     -0.031057
  H      -5.656962      3.728013     -1.731049
  H      -3.304612      4.493872     -1.369949
  H      -1.833429      3.259595      0.217811
  H      -2.659628      1.264117      1.407642
  H      -4.728947     -0.348861      6.590855
  H      -3.808722     -1.177487      7.855809
  H      -5.690897     -0.181597      8.933830
  H      -4.296277      0.869483      9.369061
  H      -7.110414      5.977701      7.739023
  H     -10.415442      5.298314      4.649490
  H     -11.286430      3.308967      3.404359
  H     -10.302872      1.056691      3.816600
  H      -8.500745      0.756827      5.483354
  N      -2.166407      3.091699      3.599835
  H      -1.297994      2.882091      3.101114
  H      -2.165006      4.095729      3.812390
  H      -2.916069      2.937926      2.920471
  N      -4.482005      1.686976      4.947291
  N      -5.585186      1.583627      4.636833
101
Coordinates from ORCA-job orca E -6762.586518688766
  N      -2.354850      3.543281      6.435994
  Mo     -2.591384      1.757356      5.510032
  N      -2.895972      0.556906      7.054193
  C      -1.762345      0.238519      7.921797
  C      -0.688827      1.309494      7.789315
  N      -0.501420      1.658945      6.355099
  C       0.036459      3.023367      6.169182
  C      -1.007850      4.058774      6.613303
  C       0.287134      0.621986      5.637604
  C      -0.269345      0.463632      4.219007
  N      -1.716663      0.372258      4.281438
  H      -0.831487      4.997145      6.048985
  H      -0.851840      4.319692      7.681066
  H       0.261795      3.133332      5.099716
  H       0.984207      3.161274      6.724177
  H       0.184831     -0.425159      3.745611
  H       0.045720      1.324119      3.600577
  H       0.146165     -0.326019      6.174543
  H       1.363673      0.868783      5.655363
  H      -2.066724      0.187079      8.984398
  H      -1.356468     -0.765849      7.676897
  H      -1.026537      2.216818      8.303775
  H       0.266550      0.988044      8.240626
  C      -3.340646      4.204056      7.264059
  C      -3.723277      5.622831      6.831359
  O      -4.621594      5.569211      5.693205
  C      -4.107150      5.673332      4.465937
  O      -2.949196      5.990124      4.206892
  C      -5.142503      5.330616      3.422345
  N      -6.065285      4.456845      3.799403
  C      -6.989893      4.090598      2.878795
  N      -7.145046      4.592227      1.667779
  C      -6.222405      5.516281      1.271352
  C      -6.353866      6.095328     -0.014039
  C      -5.406896      6.984344     -0.473047
  C      -4.303901      7.337439      0.339433
  C      -4.160512      6.812121      1.608616
  C      -5.119444      5.894813      2.109131
  C      -2.269219     -0.967533      4.230608
  C      -2.383501     -1.557353      2.821494
  O      -3.211194     -0.735514      1.962111
  C      -4.549864     -0.808032      2.160699
  O      -5.083616     -1.572966      2.937676
  C      -5.306267      0.149178      1.262313
  N      -6.575513     -0.198336      1.082569
  C      -7.324514      0.573414      0.262099
  N      -6.936081      1.638523     -0.415545
  C      -5.643504      2.030934     -0.227437
  C      -5.186327      3.184167     -0.913547
  C      -3.900089      3.641876     -0.730318
  C      -3.026061      2.959435      0.143046
  C      -3.432214      1.819734      0.810132
  C      -4.748914      1.314769      0.640934
  C      -4.091356     -0.193165      7.411054
  C      -4.946449      0.472769      8.487310
  O      -5.587025      1.666699      7.976445
  C      -6.802143      1.491123      7.410259
  O      -7.376823      0.416739      7.334650
  C      -7.389022      2.802950      6.958039
  N      -6.940498      3.891073      7.573903
  C      -7.520309      5.070028      7.243570
  N      -8.505060      5.271576      6.390742
  C      -8.963249      4.167721      5.728561
  C      -9.987702      4.332753      4.764291
  C     -10.440963      3.247589      4.044395
  C      -9.883249      1.964934      4.256043
  C      -8.892733      1.768713      5.197691
  C      -8.417223      2.862250      5.966280
  H      -2.961975      4.291937      8.307546
  H      -4.260947      3.605950      7.310560
  H      -2.850222      6.242873      6.586244
  H      -4.314147      6.104011      7.621971
  H      -7.691281      3.313608      3.194545
  H      -7.211765      5.797434     -0.617698
  H      -5.501886      7.410888     -1.473100
  H      -3.561034      8.041347     -0.039099
  H      -3.314147      7.089718      2.233593
  H      -3.276733     -0.959055      4.666449
  H      -1.678400     -1.692654      4.831034
  H      -2.806144     -2.571857      2.875491
  H      -1.412413     -1.586492      2.309769
  H      -8.366347      0.261984      0.140783
  H      -5.892637      3.701782     -1.562179
  H      -3.560630      4.543195     -1.243207
  H      -2.012857      3.339624      0.293335
  H      -2.742444      1.297070      1.468155
  H      -4.717507     -0.350910      6.522044
  H      -3.816945     -1.197201      7.789060
  H      -5.717201     -0.219496      8.851172
  H      -4.330773      0.824820      9.325701
  H      -7.121699      5.950976      7.756153
  H     -10.380540      5.337672      4.604903
  H     -11.222099      3.378276      3.293542
  H     -10.234904      1.120291      3.661253
  H      -8.461658      0.782697      5.351603
  N      -2.086911      3.104491      3.606034
  H      -1.210899      2.898894      3.118706
  H      -2.087033      4.105303      3.833986
  H      -2.826541      2.965452      2.912317
  N      -4.427114      1.683281      4.883775
  N      -5.519727      1.576244      4.539074
101
Coordinates from ORCA-job orca E -6762.586806568959
  N      -2.350738      3.532875      6.413745
  Mo     -2.570299      1.742266      5.493415
  N      -2.892529      0.547849      7.039137
  C      -1.768679      0.234118      7.920848
  C      -0.695942      1.307366      7.799793
  N      -0.490740      1.654641      6.367783
  C       0.046033      3.019508      6.185425
  C      -1.008160      4.052429      6.611025
  C       0.311466      0.618457      5.664570
  C      -0.225806      0.451370      4.239923
  N      -1.672897      0.354123      4.288097
  H      -0.824049      4.991744      6.049434
  H      -0.870272      4.313592      7.681139
  H       0.287142      3.126636      5.119108
  H       0.984243      3.161563      6.755356
  H       0.236725     -0.438501      3.777040
  H       0.092127      1.310259      3.621253
  H       0.167322     -0.327962      6.203523
  H       1.386620      0.870297      5.695162
  H      -2.085855      0.184912      8.979978
  H      -1.358554     -0.770210      7.683559
  H      -1.041510      2.214512      8.309086
  H       0.254155      0.988805      8.263694
  C      -3.349810      4.192869      7.226417
  C      -3.724490      5.610977      6.785896
  O      -4.618576      5.561087      5.644803
  C      -4.101764      5.651693      4.417749
  O      -2.938371      5.944827      4.156808
  C      -5.155354      5.357123      3.377808
  N      -6.097867      4.501344      3.747966
  C      -7.053948      4.196495      2.837689
  N      -7.221475      4.746384      1.649679
  C      -6.270250      5.641406      1.256881
  C      -6.398924      6.250188     -0.014883
  C      -5.413319      7.090326     -0.483497
  C      -4.278746      7.375768      0.312844
  C      -4.141414      6.829565      1.574040
  C      -5.134084      5.950809      2.078391
  C      -2.220359     -0.988904      4.242924
  C      -2.358101     -1.582299      2.836845
  O      -3.198725     -0.762181      1.988870
  C      -4.535173     -0.831413      2.211602
  O      -5.055668     -1.602629      2.991714
  C      -5.303341      0.127531      1.328723
  N      -6.576812     -0.216331      1.168668
  C      -7.334998      0.557131      0.359151
  N      -6.955140      1.622449     -0.323197
  C      -5.658207      2.011369     -0.155365
  C      -5.207720      3.164690     -0.845736
  C      -3.915681      3.616337     -0.685392
  C      -3.030304      2.928975      0.170893
  C      -3.432269      1.791239      0.844972
  C      -4.752641      1.291219      0.697242
  C      -4.090062     -0.202915      7.386668
  C      -4.949240      0.460632      8.460390
  O      -5.584623      1.656656      7.947594
  C      -6.794746      1.481257      7.372576
  O      -7.367801      0.406501      7.290702
  C      -7.385014      2.793762      6.927249
  N      -6.939647      3.881058      7.546693
  C      -7.530943      5.057852      7.228413
  N      -8.530557      5.255549      6.392070
  C      -8.986727      4.152397      5.727505
  C     -10.028083      4.313268      4.781001
  C     -10.477347      3.229389      4.056069
  C      -9.898347      1.952532      4.244439
  C      -8.892546      1.759519      5.170722
  C      -8.422171      2.851227      5.945166
  H      -2.985628      4.283201      8.274802
  H      -4.270874      3.594522      7.261323
  H      -2.846809      6.225545      6.543114
  H      -4.317437      6.098419      7.571689
  H      -7.768656      3.426651      3.139824
  H      -7.282627      6.007187     -0.605180
  H      -5.502651      7.528336     -1.478543
  H      -3.505645      8.042956     -0.071955
  H      -3.271701      7.056384      2.187171
  H      -3.221587     -0.983666      4.692639
  H      -1.617044     -1.708301      4.836556
  H      -2.780941     -2.596264      2.900010
  H      -1.395362     -1.610413      2.308968
  H      -8.379242      0.248543      0.252634
  H      -5.923617      3.691043     -1.476844
  H      -3.581779      4.517885     -1.201264
  H      -2.013169      3.304319      0.304731
  H      -2.735039      1.262800      1.489448
  H      -4.711857     -0.357339      6.493928
  H      -3.817778     -1.208389      7.762552
  H      -5.723047     -0.230583      8.817644
  H      -4.338250      0.809829      9.302488
  H      -7.131739      5.939088      7.739948
  H     -10.435764      5.314577      4.636876
  H     -11.270684      3.357273      3.317659
  H     -10.245801      1.110093      3.643631
  H      -8.444758      0.778070      5.306544
  N      -2.057598      3.092292      3.591946
  H      -1.180267      2.889979      3.105763
  H      -2.061949      4.091018      3.827441
  H      -2.797016      2.960401      2.896299
  N      -4.396679      1.656599      4.837599
  N      -5.480459      1.542714      4.468203
101
Coordinates from ORCA-job orca E -6762.587196711330
  N      -2.335670      3.533541      6.411834
  Mo     -2.554494      1.745228      5.486370
  N      -2.887469      0.551874      7.030599
  C      -1.768357      0.235216      7.917641
  C      -0.691429      1.304501      7.800580
  N      -0.479453      1.651734      6.369036
  C       0.059448      3.016361      6.188943
  C      -0.992560      4.049484      6.617349
  C       0.325065      0.615529      5.667473
  C      -0.208423      0.450249      4.240935
  N      -1.655681      0.353590      4.286882
  H      -0.804375      4.990919      6.062976
  H      -0.856486      4.303880      7.689795
  H       0.299611      3.124523      5.122393
  H       0.998171      3.156227      6.758129
  H       0.254375     -0.440015      3.778367
  H       0.111060      1.309672      3.623226
  H       0.179336     -0.331428      6.205257
  H       1.400127      0.867131      5.701673
  H      -2.089957      0.187071      8.975494
  H      -1.359998     -0.770577      7.682534
  H      -1.036075      2.213019      8.309118
  H       0.256210      0.982104      8.268194
  C      -3.334903      4.186008      7.230368
  C      -3.712040      5.608396      6.806589
  O      -4.604879      5.568092      5.664108
  C      -4.086983      5.686300      4.439757
  O      -2.925227      5.992706      4.187612
  C      -5.132930      5.390951      3.391922
  N      -6.066882      4.520244      3.748511
  C      -7.016209      4.214974      2.831109
  N      -7.184921      4.776046      1.648315
  C      -6.240325      5.683565      1.268196
  C      -6.368307      6.302675      0.000917
  C      -5.389520      7.158544     -0.452962
  C      -4.259688      7.444347      0.350272
  C      -4.121197      6.884739      1.604505
  C      -5.110887      5.996273      2.097809
  C      -2.202072     -0.990139      4.247878
  C      -2.351954     -1.580857      2.842545
  O      -3.218745     -0.770632      2.012053
  C      -4.551092     -0.867861      2.249175
  O      -5.045273     -1.639270      3.046572
  C      -5.346897      0.095988      1.395566
  N      -6.623118     -0.252367      1.266575
  C      -7.404653      0.521425      0.479897
  N      -7.046547      1.590335     -0.209511
  C      -5.746501      1.982434     -0.075528
  C      -5.317791      3.137073     -0.777147
  C      -4.023797      3.592035     -0.649777
  C      -3.113637      2.906699      0.183816
  C      -3.494406      1.767471      0.867116
  C      -4.816733      1.263710      0.752798
  C      -4.088448     -0.196267      7.371105
  C      -4.954867      0.472077      8.436665
  O      -5.589241      1.665585      7.913931
  C      -6.795785      1.484628      7.331890
  O      -7.364716      0.407884      7.250719
  C      -7.384612      2.792068      6.867635
  N      -6.946133      3.886829      7.478469
  C      -7.536669      5.059085      7.142498
  N      -8.530114      5.245784      6.296222
  C      -8.978532      4.134820      5.639489
  C     -10.014051      4.283200      4.684150
  C     -10.452961      3.191464      3.965576
  C      -9.869843      1.918786      4.169574
  C      -8.871162      1.737715      5.105417
  C      -8.411934      2.837582      5.874527
  H      -2.971193      4.264908      8.279702
  H      -4.255104      3.586670      7.259214
  H      -2.835929      6.227547      6.570710
  H      -4.305361      6.085385      7.597715
  H      -7.720050      3.430431      3.119445
  H      -7.246758      6.056815     -0.597075
  H      -5.480155      7.608532     -1.442982
  H      -3.490944      8.122035     -0.024390
  H      -3.254471      7.110189      2.222559
  H      -3.198348     -0.989215      4.708880
  H      -1.590116     -1.708646      4.833858
  H      -2.758103     -2.601080      2.909264
  H      -1.397612     -1.593386      2.299725
  H      -8.450104      0.207821      0.398002
  H      -6.050761      3.661003     -1.391269
  H      -3.706340      4.494378     -1.174515
  H      -2.094243      3.284507      0.291698
  H      -2.779288      1.240415      1.493883
  H      -4.704500     -0.351146      6.474485
  H      -3.820413     -1.201718      7.750748
  H      -5.730575     -0.219098      8.793378
  H      -4.348395      0.826545      9.281108
  H      -7.144086      5.946369      7.649009
  H     -10.424456      5.281481      4.527685
  H     -11.240470      3.309771      3.219529
  H     -10.208352      1.070157      3.573474
  H      -8.420939      0.759389      5.253677
  N      -2.022962      3.093406      3.588367
  H      -1.145366      2.885471      3.104953
  H      -2.019997      4.091346      3.827370
  H      -2.761347      2.969789      2.889978
  N      -4.376840      1.662884      4.818452
  N      -5.457249      1.548211      4.439141
101
Coordinates from ORCA-job orca E -6762.587470521628
  N      -2.319972      3.544073      6.440413
  Mo     -2.549502      1.764578      5.501384
  N      -2.882210      0.560757      7.036747
  C      -1.760075      0.230499      7.914928
  C      -0.677783      1.294922      7.801695
  N      -0.470165      1.655497      6.372657
  C       0.071282      3.022000      6.205865
  C      -0.974952      4.051739      6.653992
  C       0.331510      0.626828      5.655531
  C      -0.213691      0.476911      4.230831
  N      -1.660791      0.376945      4.289139
  H      -0.783358      5.002453      6.117844
  H      -0.835246      4.285715      7.731046
  H       0.305687      3.141854      5.139595
  H       1.013098      3.152643      6.771446
  H       0.246345     -0.406826      3.752552
  H       0.097825      1.345631      3.622133
  H       0.192694     -0.326054      6.184836
  H       1.406540      0.880678      5.684725
  H      -2.074698      0.172954      8.974512
  H      -1.357587     -0.774757      7.667073
  H      -1.014202      2.200472      8.321672
  H       0.270312      0.962539      8.261577
  C      -3.317667      4.185567      7.268767
  C      -3.698360      5.611313      6.861699
  O      -4.582889      5.575421      5.713161
  C      -4.053518      5.703222      4.494335
  O      -2.886086      5.997144      4.255946
  C      -5.085426      5.399648      3.434580
  N      -6.009235      4.512636      3.776158
  C      -6.944333      4.198368      2.847203
  N      -7.104531      4.757569      1.662226
  C      -6.165194      5.674758      1.293850
  C      -6.277417      6.284367      0.020156
  C      -5.306748      7.159599     -0.415433
  C      -4.196143      7.466266      0.406831
  C      -4.069020      6.908498      1.663042
  C      -5.055120      6.007552      2.142190
  C      -2.200752     -0.969899      4.254958
  C      -2.380287     -1.551489      2.849194
  O      -3.261142     -0.738873      2.035707
  C      -4.588017     -0.819700      2.309235
  O      -5.066476     -1.586214      3.120959
  C      -5.405441      0.121462      1.448878
  N      -6.683633     -0.236106      1.361601
  C      -7.489191      0.511101      0.574362
  N      -7.155593      1.561911     -0.154425
  C      -5.852191      1.959395     -0.071276
  C      -5.448315      3.091019     -0.822484
  C      -4.153017      3.552656     -0.747459
  C      -3.214946      2.895415      0.079838
  C      -3.572177      1.780090      0.812054
  C      -4.896071      1.269745      0.753266
  C      -4.085518     -0.185681      7.372125
  C      -4.957155      0.486386      8.432001
  O      -5.593635      1.676816      7.900521
  C      -6.795181      1.486251      7.310700
  O      -7.358928      0.406718      7.235658
  C      -7.385159      2.785419      6.821508
  N      -6.960090      3.890990      7.421798
  C      -7.554655      5.055109      7.064176
  N      -8.541821      5.223515      6.206484
  C      -8.975051      4.101304      5.558828
  C     -10.004736      4.229330      4.594271
  C     -10.423383      3.126591      3.880846
  C      -9.826689      1.862569      4.100831
  C      -8.836771      1.700522      5.048954
  C      -8.398961      2.811886      5.813602
  H      -2.955559      4.250257      8.319498
  H      -4.236661      3.585111      7.289209
  H      -2.823739      6.235772      6.635158
  H      -4.296938      6.077242      7.654823
  H      -7.638361      3.401391      3.122758
  H      -7.137836      6.019094     -0.596002
  H      -5.390035      7.611847     -1.404842
  H      -3.433288      8.157705      0.044961
  H      -3.216266      7.147670      2.295644
  H      -3.183818     -0.981669      4.743384
  H      -1.566032     -1.687330      4.817743
  H      -2.786402     -2.570832      2.919641
  H      -1.437114     -1.564158      2.287718
  H      -8.535156      0.190161      0.529184
  H      -6.199538      3.591276     -1.434962
  H      -3.854165      4.436741     -1.312431
  H      -2.193675      3.275312      0.141533
  H      -2.840087      1.277625      1.439198
  H      -4.698814     -0.338850      6.473057
  H      -3.821033     -1.192355      7.752307
  H      -5.733607     -0.205593      8.788981
  H      -4.354042      0.846846      9.277557
  H      -7.173937      5.951359      7.564488
  H     -10.424792      5.221303      4.424514
  H     -11.203819      3.229520      3.125090
  H     -10.147112      1.005784      3.506530
  H      -8.377074      0.728910      5.209935
  N      -2.022593      3.124416      3.607884
  H      -1.157340      2.907583      3.106797
  H      -1.999359      4.118321      3.860131
  H      -2.776385      3.022061      2.922869
  N      -4.373476      1.700729      4.835032
  N      -5.451379      1.596680      4.446491
101
Coordinates from ORCA-job orca E -6762.587860997457
  N      -2.308045      3.540073      6.415594
  Mo     -2.533298      1.755065      5.486373
  N      -2.877004      0.560572      7.026123
  C      -1.760005      0.234680      7.912760
  C      -0.676467      1.297930      7.800960
  N      -0.459309      1.650661      6.371573
  C       0.084046      3.015862      6.200820
  C      -0.964769      4.047977      6.637087
  C       0.347450      0.618405      5.665775
  C      -0.189967      0.460358      4.238925
  N      -1.636945      0.359005      4.291283
  H      -0.768235      4.996949      6.098934
  H      -0.832875      4.285936      7.714124
  H       0.324976      3.129762      5.135254
  H       1.022347      3.148988      6.771875
  H       0.273060     -0.424948      3.766916
  H       0.122735      1.326730      3.628296
  H       0.206407     -0.331508      6.199788
  H       1.421941      0.873263      5.699846
  H      -2.080953      0.182203      8.970651
  H      -1.356662     -0.771688      7.671511
  H      -1.015184      2.206180      8.314268
  H       0.268201      0.966966      8.268631
  C      -3.311786      4.182489      7.235927
  C      -3.687505      5.608913      6.826035
  O      -4.563851      5.577097      5.671080
  C      -4.026840      5.711994      4.456453
  O      -2.859638      6.012313      4.226202
  C      -5.058093      5.430848      3.389811
  N      -5.985560      4.541235      3.714330
  C      -6.927108      4.255658      2.782532
  N      -7.092286      4.848434      1.614948
  C      -6.146821      5.765254      1.262682
  C      -6.259911      6.404206      0.003545
  C      -5.280848      7.275701     -0.419786
  C      -4.162721      7.553312      0.402849
  C      -4.035798      6.968887      1.646754
  C      -5.028348      6.067241      2.111303
  C      -2.173493     -0.989762      4.270200
  C      -2.379739     -1.570288      2.867979
  O      -3.283470     -0.759324      2.079109
  C      -4.605124     -0.855419      2.374982
  O      -5.063875     -1.646255      3.174939
  C      -5.442633      0.091377      1.542884
  N      -6.720574     -0.271391      1.471223
  C      -7.542346      0.485663      0.711361
  N      -7.226720      1.551263     -0.004114
  C      -5.923720      1.953266      0.063198
  C      -5.537431      3.101188     -0.672572
  C      -4.242982      3.567922     -0.610651
  C      -3.288702      2.900933      0.189115
  C      -3.629258      1.770276      0.905952
  C      -4.951088      1.253776      0.858595
  C      -4.080446     -0.188208      7.356327
  C      -4.960442      0.483556      8.408712
  O      -5.599470      1.668163      7.868558
  C      -6.795434      1.467932      7.270996
  O      -7.353100      0.385222      7.196316
  C      -7.387983      2.761289      6.771352
  N      -6.973473      3.871660      7.369768
  C      -7.573241      5.030461      7.003701
  N      -8.557607      5.188431      6.140833
  C      -8.979844      4.060816      5.495371
  C     -10.003943      4.178031      4.523434
  C     -10.408243      3.070179      3.809545
  C      -9.802216      1.811733      4.036065
  C      -8.818273      1.659737      4.992044
  C      -8.395379      2.776588      5.757232
  H      -2.958175      4.246457      8.289692
  H      -4.231757      3.582977      7.249008
  H      -2.810168      6.232173      6.606150
  H      -4.291352      6.075386      7.615193
  H      -7.627972      3.459427      3.043210
  H      -7.126003      6.161591     -0.613698
  H      -5.363098      7.746929     -1.400422
  H      -3.393389      8.242319      0.050265
  H      -3.176773      7.183929      2.279249
  H      -3.146269     -1.005647      4.778089
  H      -1.524494     -1.703711      4.820405
  H      -2.777852     -2.592789      2.944343
  H      -1.448807     -1.574932      2.285912
  H      -8.587884      0.162156      0.680438
  H      -6.301089      3.611883     -1.259935
  H      -3.958186      4.465206     -1.162156
  H      -2.268126      3.285318      0.241685
  H      -2.885620      1.259564      1.511885
  H      -4.687957     -0.345905      6.454150
  H      -3.814919     -1.192735      7.740648
  H      -5.735337     -0.209830      8.764053
  H      -4.364207      0.850483      9.255409
  H      -7.198309      5.931736      7.499197
  H     -10.430565      5.166231      4.347928
  H     -11.183771      3.165058      3.047736
  H     -10.109906      0.951326      3.440026
  H      -8.350802      0.692372      5.157075
  N      -1.996657      3.104829      3.586432
  H      -1.126940      2.889569      3.092426
  H      -1.980381      4.100119      3.834502
  H      -2.746217      2.996265      2.897313
  N      -4.351723      1.689132      4.804466
  N      -5.424408      1.583436      4.402343
101
Coordinates from ORCA-job orca E -6762.588165952166
  N      -2.320882      3.536609      6.403601
  Mo     -2.537111      1.747787      5.480610
  N      -2.871864      0.555870      7.022869
  C      -1.751162      0.237189      7.907724
  C      -0.674039      1.306756      7.792952
  N      -0.460687      1.658720      6.362656
  C       0.073379      3.027137      6.188392
  C      -0.981176      4.052233      6.626596
  C       0.352765      0.630759      5.659004
  C      -0.186706      0.465521      4.233897
  N      -1.632657      0.353067      4.289553
  H      -0.790238      5.003351      6.089885
  H      -0.850816      4.289465      7.703782
  H       0.309388      3.141041      5.121546
  H       1.012818      3.167280      6.755954
  H       0.282068     -0.416099      3.761142
  H       0.117124      1.333923      3.622370
  H       0.220227     -0.318681      6.195979
  H       1.425120      0.893914      5.690317
  H      -2.069926      0.183654      8.966175
  H      -1.342671     -0.766821      7.665685
  H      -1.017088      2.213532      8.305668
  H       0.272968      0.981537      8.260120
  C      -3.329891      4.172480      7.222203
  C      -3.700146      5.602108      6.818302
  O      -4.567606      5.579755      5.656327
  C      -4.021438      5.713867      4.445275
  O      -2.850525      6.004021      4.221621
  C      -5.056706      5.469610      3.373467
  N      -5.997372      4.588470      3.682483
  C      -6.942923      4.333021      2.746074
  N      -7.097462      4.946675      1.588359
  C      -6.137460      5.853505      1.250833
  C      -6.235252      6.505470     -0.002606
  C      -5.239848      7.362872     -0.414771
  C      -4.123237      7.619495      0.416875
  C      -4.011003      7.022657      1.656142
  C      -5.016233      6.126876      2.105363
  C      -2.157887     -1.001221      4.280790
  C      -2.381755     -1.589738      2.884464
  O      -3.300140     -0.788381      2.103760
  C      -4.618334     -0.889961      2.414637
  O      -5.063899     -1.674392      3.228442
  C      -5.465555      0.059591      1.597451
  N      -6.749050     -0.288463      1.554917
  C      -7.578046      0.479171      0.814050
  N      -7.266066      1.540962      0.090862
  C      -5.956849      1.926126      0.127417
  C      -5.572224      3.071309     -0.614221
  C      -4.270600      3.521207     -0.580432
  C      -3.308353      2.842549      0.199156
  C      -3.648332      1.715446      0.922044
  C      -4.976474      1.215061      0.901464
  C      -4.071536     -0.197622      7.355572
  C      -4.954393      0.474922      8.404164
  O      -5.594130      1.656659      7.859795
  C      -6.784998      1.452974      7.253211
  O      -7.334333      0.367087      7.162678
  C      -7.376381      2.744752      6.749714
  N      -6.977934      3.854527      7.359832
  C      -7.585037      5.010111      6.995731
  N      -8.564644      5.164087      6.126747
  C      -8.971146      4.036863      5.470639
  C      -9.989206      4.150453      4.491752
  C     -10.373825      3.044124      3.764677
  C      -9.756169      1.790466      3.986748
  C      -8.780807      1.640927      4.951697
  C      -8.375500      2.756857      5.727778
  H      -2.982091      4.229627      8.278351
  H      -4.250955      3.573407      7.226017
  H      -2.819779      6.224721      6.608880
  H      -4.308536      6.065084      7.606087
  H      -7.655328      3.542470      2.992313
  H      -7.100803      6.280577     -0.626941
  H      -5.308193      7.839464     -1.393676
  H      -3.342374      8.299934      0.073405
  H      -3.151990      7.218908      2.294420
  H      -3.121706     -1.025059      4.804462
  H      -1.492413     -1.706885      4.821302
  H      -2.773069     -2.614484      2.971652
  H      -1.458903     -1.592307      2.289371
  H      -8.628322      0.170611      0.809179
  H      -6.342550      3.596938     -1.178975
  H      -3.986837      4.417093     -1.134953
  H      -2.281903      3.214698      0.230602
  H      -2.899534      1.193420      1.511225
  H      -4.677952     -0.361049      6.453545
  H      -3.802019     -1.199306      7.743491
  H      -5.727835     -0.218467      8.760436
  H      -4.360842      0.846094      9.249965
  H      -7.223377      5.911514      7.500436
  H     -10.425187      5.135297      4.320376
  H     -11.143315      3.136667      2.996550
  H     -10.048883      0.931483      3.381128
  H      -8.305656      0.676604      5.113910
  N      -2.017221      3.099838      3.575120
  H      -1.148727      2.890900      3.076572
  H      -2.006610      4.095103      3.823595
  H      -2.770386      2.985350      2.890659
  N      -4.354861      1.670666      4.798871
  N      -5.425009      1.558152      4.392164
101
Coordinates from ORCA-job orca E -6762.588474876372
  N      -2.313224      3.536993      6.401000
  Mo     -2.532809      1.745200      5.485694
  N      -2.862225      0.559390      7.032378
  C      -1.738248      0.243103      7.913905
  C      -0.661106      1.311895      7.791397
  N      -0.452385      1.658949      6.358924
  C       0.079793      3.027786      6.178289
  C      -0.973117      4.053036      6.619836
  C       0.359370      0.629142      5.655819
  C      -0.187175      0.459090      4.233846
  N      -1.632784      0.345137      4.296832
  H      -0.784661      5.003938      6.082256
  H      -0.838988      4.290647      7.696528
  H       0.309172      3.139130      5.109792
  H       1.022507      3.170161      6.739797
  H       0.280163     -0.422389      3.759310
  H       0.111862      1.327400      3.619797
  H       0.231079     -0.318523      6.196931
  H       1.431434      0.894027      5.681031
  H      -2.052696      0.192249      8.973719
  H      -1.330805     -0.761513      7.672461
  H      -1.001889      2.220540      8.302295
  H       0.287146      0.987708      8.256639
  C      -3.320440      4.168044      7.225373
  C      -3.692683      5.599970      6.830875
  O      -4.558824      5.586805      5.667963
  C      -4.008210      5.736262      4.460556
  O      -2.834113      6.019732      4.245365
  C      -5.036307      5.498792      3.380371
  N      -5.975424      4.610251      3.672013
  C      -6.913799      4.362969      2.725827
  N      -7.059263      4.986762      1.572174
  C      -6.099235      5.899928      1.251987
  C      -6.185667      6.561480      0.002599
  C      -5.191138      7.429784     -0.389126
  C      -4.086168      7.686115      0.457997
  C      -3.983980      7.077169      1.692070
  C      -4.988587      6.170769      2.120611
  C      -2.157095     -1.009537      4.295754
  C      -2.401732     -1.594439      2.901775
  O      -3.326694     -0.788719      2.134486
  C      -4.640570     -0.879256      2.465691
  O      -5.077055     -1.656291      3.291579
  C      -5.497476      0.063796      1.650218
  N      -6.781917     -0.284740      1.632533
  C      -7.622996      0.473049      0.896171
  N      -7.323211      1.523382      0.151581
  C      -6.013361      1.908562      0.160324
  C      -5.642968      3.042426     -0.605314
  C      -4.342832      3.497221     -0.596689
  C      -3.367510      2.834319      0.180414
  C      -3.692992      1.717184      0.925121
  C      -5.019801      1.210819      0.930320
  C      -4.061071     -0.194330      7.367782
  C      -4.951332      0.488142      8.403657
  O      -5.592323      1.660508      7.840009
  C      -6.776486      1.443515      7.224666
  O      -7.324125      0.355641      7.151532
  C      -7.373319      2.727526      6.706979
  N      -6.982050      3.845053      7.307643
  C      -7.594663      4.994009      6.931676
  N      -8.574039      5.134311      6.060149
  C      -8.972269      3.999182      5.412661
  C      -9.988625      4.098675      4.430377
  C     -10.362231      2.984785      3.709246
  C      -9.735417      1.737400      3.941200
  C      -8.762522      1.601332      4.910427
  C      -8.368689      2.725205      5.681014
  H      -2.970848      4.219150      8.281278
  H      -4.241023      3.568396      7.227427
  H      -2.812826      6.224914      6.626330
  H      -4.301700      6.056239      7.621895
  H      -7.626141      3.568222      2.958108
  H      -7.042482      6.337399     -0.634117
  H      -5.251930      7.917308     -1.363255
  H      -3.306877      8.376162      0.130650
  H      -3.133691      7.272160      2.342592
  H      -3.112350     -1.035783      4.834938
  H      -1.481674     -1.715862      4.822936
  H      -2.795330     -2.617918      2.992886
  H      -1.486844     -1.600259      2.294510
  H      -8.673341      0.164915      0.913360
  H      -6.423118      3.557131     -1.166557
  H      -4.070016      4.384989     -1.169684
  H      -2.342092      3.210476      0.191496
  H      -2.934445      1.208747      1.513364
  H      -4.662949     -0.368689      6.464660
  H      -3.790988     -1.191312      7.767197
  H      -5.724315     -0.203683      8.765057
  H      -4.363278      0.872772      9.247684
  H      -7.239549      5.901888      7.429309
  H     -10.431333      5.079073      4.250966
  H     -11.129648      3.066516      2.937786
  H     -10.019197      0.872378      3.340066
  H      -8.281243      0.641510      5.080212
  N      -2.020641      3.086856      3.568739
  H      -1.154174      2.876460      3.067303
  H      -2.008930      4.083255      3.812322
  H      -2.777151      2.966937      2.888882
  N      -4.352163      1.668909      4.809267
  N      -5.421951      1.556224      4.401777
101
Coordinates from ORCA-job orca E -6762.588726505643
  N      -2.314503      3.543468      6.407979
  Mo     -2.543882      1.749678      5.501469
  N      -2.854835      0.567020      7.052614
  C      -1.720292      0.250961      7.920503
  C      -0.645083      1.320174      7.784533
  N      -0.452457      1.665415      6.349100
  C       0.075560      3.035284      6.160326
  C      -0.972845      4.060557      6.612746
  C       0.351982      0.635253      5.638490
  C      -0.212100      0.463446      4.223685
  N      -1.656750      0.347530      4.303249
  H      -0.791836      5.010586      6.071289
  H      -0.827570      4.299885      7.687601
  H       0.290394      3.145504      5.088738
  H       1.025614      3.179839      6.708697
  H       0.250613     -0.416506      3.741866
  H       0.077904      1.333094      3.606929
  H       0.231818     -0.311653      6.182667
  H       1.423914      0.901649      5.649829
  H      -2.022026      0.199766      8.983939
  H      -1.315314     -0.753309      7.673554
  H      -0.980618      2.229254      8.298042
  H       0.308233      0.996882      8.239812
  C      -3.317385      4.174140      7.237441
  C      -3.692603      5.605028      6.841155
  O      -4.552378      5.590271      5.673565
  C      -3.990088      5.742111      4.471488
  O      -2.813623      6.025545      4.269158
  C      -5.005337      5.511578      3.377923
  N      -5.942490      4.613365      3.644761
  C      -6.866121      4.372775      2.681919
  N      -6.994063      5.004955      1.530531
  C      -6.035430      5.928597      1.236166
  C      -6.106613      6.605553     -0.006062
  C      -5.118384      7.495694     -0.364755
  C      -4.033293      7.754727      0.506636
  C      -3.944818      7.127355      1.732502
  C      -4.944636      6.201218      2.128531
  C      -2.179756     -1.007677      4.305888
  C      -2.436618     -1.590278      2.912736
  O      -3.362584     -0.784574      2.147348
  C      -4.676502     -0.877991      2.476247
  O      -5.111464     -1.654481      3.303428
  C      -5.535656      0.061060      1.657940
  N      -6.819921     -0.289327      1.646067
  C      -7.664090      0.461959      0.907291
  N      -7.367732      1.506087      0.152763
  C      -6.058150      1.892480      0.154128
  C      -5.692326      3.019751     -0.623296
  C      -4.393754      3.479165     -0.620247
  C      -3.414785      2.824817      0.159728
  C      -3.734839      1.711913      0.913096
  C      -5.061052      1.202800      0.926959
  C      -4.050342     -0.187378      7.399937
  C      -4.939674      0.502699      8.431830
  O      -5.588438      1.665824      7.858588
  C      -6.773103      1.436165      7.248313
  O      -7.313747      0.344128      7.186287
  C      -7.372122      2.709518      6.706929
  N      -6.989690      3.838005      7.293038
  C      -7.604667      4.978379      6.895211
  N      -8.577020      5.101211      6.013249
  C      -8.964827      3.954674      5.379519
  C      -9.971397      4.035545      4.385518
  C     -10.334553      2.909134      3.678640
  C      -9.706076      1.667685      3.936418
  C      -8.740649      1.550624      4.915333
  C      -8.358858      2.687491      5.672722
  H      -2.964179      4.226693      8.292186
  H      -4.237317      3.574001      7.242809
  H      -2.813480      6.232106      6.640090
  H      -4.306043      6.059238      7.629822
  H      -7.582556      3.577049      2.897885
  H      -6.948914      6.380201     -0.661467
  H      -5.169371      8.000725     -1.330645
  H      -3.259891      8.463068      0.205404
  H      -3.110194      7.324828      2.402491
  H      -3.128691     -1.037317      4.855923
  H      -1.496363     -1.714572      4.821957
  H      -2.831912     -2.612912      3.006089
  H      -1.524780     -1.599986      2.300879
  H      -8.714343      0.154104      0.931458
  H      -6.475177      3.525403     -1.188630
  H      -4.124037      4.361510     -1.203190
  H      -2.390337      3.203340      0.164454
  H      -2.972363      1.209430      1.501802
  H      -4.654753     -0.372914      6.500678
  H      -3.775709     -1.179505      7.808014
  H      -5.708094     -0.188699      8.804141
  H      -4.349901      0.899206      9.269232
  H      -7.257203      5.895428      7.381275
  H     -10.415894      5.011437      4.186913
  H     -11.094889      2.976056      2.898719
  H      -9.981608      0.792113      3.347000
  H      -8.257013      0.595420      5.103155
  N      -2.055327      3.083883      3.571395
  H      -1.196345      2.870745      3.058397
  H      -2.037140      4.081132      3.810692
  H      -2.821642      2.960215      2.903423
  N      -4.370030      1.677358      4.846132
  N      -5.443805      1.567263      4.448788
101
Coordinates from ORCA-job orca E -6762.588941498720
  N      -2.319037      3.541275      6.404299
  Mo     -2.538863      1.746489      5.500505
  N      -2.847561      0.563753      7.050468
  C      -1.712425      0.249870      7.918510
  C      -0.641449      1.324011      7.785723
  N      -0.447701      1.671744      6.350808
  C       0.073157      3.044353      6.162509
  C      -0.980697      4.064772      6.612696
  C       0.362729      0.646073      5.640784
  C      -0.198971      0.472110      4.225452
  N      -1.642704      0.348113      4.304282
  H      -0.804055      5.015115      6.070469
  H      -0.839738      4.305162      7.687819
  H       0.286896      3.155584      5.090799
  H       1.022555      3.194223      6.710512
  H       0.268475     -0.404837      3.742753
  H       0.086675      1.343943      3.609542
  H       0.246458     -0.301559      6.184489
  H       1.433308      0.917831      5.652913
  H      -2.015482      0.195653      8.981416
  H      -1.303526     -0.752345      7.669911
  H      -0.982170      2.230995      8.299567
  H       0.312293      1.004388      8.242619
  C      -3.327294      4.164154      7.232926
  C      -3.703219      5.596533      6.841306
  O      -4.555304      5.587731      5.667889
  C      -3.984081      5.743170      4.470251
  O      -2.802759      6.013001      4.276572
  C      -4.994326      5.532264      3.368995
  N      -5.942900      4.641842      3.621745
  C      -6.863359      4.421013      2.651005
  N      -6.972103      5.059956      1.501428
  C      -6.000685      5.974819      1.221076
  C      -6.052291      6.658918     -0.018197
  C      -5.054755      7.545719     -0.359411
  C      -3.979416      7.793897      0.527096
  C      -3.908929      7.157726      1.749600
  C      -4.917797      6.233409      2.126787
  C      -2.158825     -1.009581      4.305443
  C      -2.428597     -1.585018      2.911667
  O      -3.369926     -0.781418      2.164199
  C      -4.679071     -0.892134      2.506574
  O      -5.095845     -1.679135      3.333293
  C      -5.556747      0.039456      1.700704
  N      -6.839423     -0.317267      1.710466
  C      -7.698277      0.426089      0.980918
  N      -7.418437      1.467201      0.215723
  C      -6.111095      1.860535      0.196102
  C      -5.762525      2.984928     -0.593534
  C      -4.466277      3.451171     -0.612091
  C      -3.473346      2.806744      0.158216
  C      -3.776496      1.695883      0.921885
  C      -5.099505      1.180235      0.958020
  C      -4.043095     -0.191926      7.397025
  C      -4.938772      0.501364      8.421410
  O      -5.587362      1.660973      7.841619
  C      -6.768095      1.427240      7.224666
  O      -7.305794      0.333645      7.162929
  C      -7.371453      2.699662      6.686412
  N      -6.996770      3.827852      7.278641
  C      -7.616824      4.966542      6.883872
  N      -8.586828      5.088012      5.999179
  C      -8.966359      3.942057      5.359153
  C      -9.969501      4.022024      4.361660
  C     -10.326124      2.896131      3.650503
  C      -9.693962      1.656454      3.907244
  C      -8.729890      1.540906      4.887528
  C      -8.355524      2.676828      5.649705
  H      -2.978494      4.213006      8.289307
  H      -4.245939      3.562062      7.231368
  H      -2.823802      6.226208      6.650283
  H      -4.322677      6.044999      7.628604
  H      -7.595117      3.636898      2.858648
  H      -6.889173      6.444158     -0.683937
  H      -5.091422      8.057935     -1.322181
  H      -3.199329      8.500838      0.240045
  H      -3.081359      7.346349      2.430727
  H      -3.101959     -1.047273      4.865088
  H      -1.466057     -1.715856      4.809405
  H      -2.815841     -2.610918      3.003535
  H      -1.523952     -1.584965      2.288971
  H      -8.746892      0.115292      1.024256
  H      -6.556799      3.482202     -1.150400
  H      -4.208886      4.330208     -1.205311
  H      -2.451125      3.190855      0.146667
  H      -3.001396      1.198661      1.499087
  H      -4.642622     -0.385076      6.496031
  H      -3.767458     -1.180669      7.812174
  H      -5.707212     -0.189921      8.793759
  H      -4.353282      0.902361      9.259622
  H      -7.275562      5.883548      7.374267
  H     -10.417362      4.996742      4.164749
  H     -11.084465      2.962165      2.868513
  H      -9.964788      0.781072      3.315498
  H      -8.240818      0.587690      5.071529
  N      -2.055315      3.080502      3.567950
  H      -1.200397      2.865371      3.048994
  H      -2.030954      4.077227      3.808514
  H      -2.826154      2.959163      2.904976
  N      -4.362497      1.669199      4.840846
  N      -5.434134      1.555787      4.438872
101
Coordinates from ORCA-job orca E -6762.588878511273
  N      -2.342587      3.535895      6.395500
  Mo     -2.551577      1.733738      5.509834
  N      -2.836298      0.558419      7.066298
  C      -1.691094      0.256640      7.925464
  C      -0.632571      1.342133      7.781139
  N      -0.451344      1.684226      6.342930
  C       0.051917      3.060949      6.140303
  C      -1.008428      4.074001      6.590507
  C       0.363355      0.662700      5.633156
  C      -0.206347      0.476466      4.223369
  N      -1.648000      0.339244      4.310608
  H      -0.848856      5.020599      6.036236
  H      -0.863661      4.325122      7.662456
  H       0.251337      3.167040      5.065498
  H       1.006008      3.226021      6.675498
  H       0.266014     -0.397244      3.739638
  H       0.068359      1.348672      3.602465
  H       0.259913     -0.282841      6.182873
  H       1.431498      0.944859      5.634809
  H      -1.986288      0.202745      8.990587
  H      -1.274241     -0.741978      7.676081
  H      -0.981387      2.247982      8.291439
  H       0.326870      1.036018      8.234604
  C      -3.349214      4.149522      7.232758
  C      -3.730516      5.583434      6.847735
  O      -4.582260      5.587803      5.674331
  C      -4.002640      5.742466      4.480241
  O      -2.813705      5.985784      4.294219
  C      -5.007713      5.566517      3.370688
  N      -5.987382      4.706251      3.608521
  C      -6.895817      4.511773      2.620687
  N      -6.946479      5.129248      1.455346
  C      -5.944677      6.016906      1.192588
  C      -5.943185      6.687951     -0.054589
  C      -4.927837      7.566737     -0.365215
  C      -3.885940      7.816539      0.559567
  C      -3.862850      7.185231      1.787070
  C      -4.889197      6.267212      2.131210
  C      -2.153544     -1.021444      4.298986
  C      -2.415625     -1.584863      2.898314
  O      -3.348040     -0.776946      2.146141
  C      -4.659249     -0.894904      2.475253
  O      -5.078823     -1.682696      3.299469
  C      -5.536081      0.031880      1.662461
  N      -6.818791     -0.323378      1.679844
  C      -7.679956      0.411977      0.945547
  N      -7.401443      1.444873      0.169092
  C      -6.094712      1.839566      0.144577
  C      -5.750596      2.958140     -0.655597
  C      -4.455204      3.427082     -0.680596
  C      -3.460699      2.791402      0.094364
  C      -3.758785      1.685337      0.866955
  C      -5.080812      1.167193      0.910909
  C      -4.029472     -0.194090      7.430716
  C      -4.924435      0.519007      8.442462
  O      -5.576531      1.667798      7.847714
  C      -6.763408      1.425794      7.244836
  O      -7.304132      0.332261      7.212493
  C      -7.379171      2.693323      6.709854
  N      -6.999649      3.826984      7.290251
  C      -7.633337      4.960386      6.901485
  N      -8.618586      5.073273      6.032594
  C      -9.004615      3.921558      5.406358
  C     -10.028371      3.990684      4.429457
  C     -10.402299      2.856015      3.740834
  C      -9.766108      1.619037      3.999886
  C      -8.776618      1.516319      4.955760
  C      -8.385746      2.660605      5.695683
  H      -2.993937      4.198892      8.286871
  H      -4.265119      3.543486      7.235155
  H      -2.851705      6.215615      6.663156
  H      -4.351149      6.024086      7.638652
  H      -7.666600      3.764922      2.824888
  H      -6.758308      6.475410     -0.747040
  H      -4.924824      8.073349     -1.331430
  H      -3.093646      8.519970      0.297565
  H      -3.059144      7.373280      2.496559
  H      -3.098277     -1.070163      4.855808
  H      -1.456426     -1.729009      4.795150
  H      -2.807280     -2.609943      2.979591
  H      -1.504369     -1.584780      2.284996
  H      -8.729138      0.105543      0.998524
  H      -6.549154      3.445384     -1.215183
  H      -4.198786      4.298521     -1.284695
  H      -2.440130      3.178027      0.078774
  H      -2.977759      1.192673      1.439820
  H      -4.628441     -0.411437      6.534701
  H      -3.749861     -1.171620      7.868696
  H      -5.690034     -0.166372      8.831302
  H      -4.335943      0.935008      9.271253
  H      -7.292543      5.881124      7.385020
  H     -10.481074      4.963189      4.232432
  H     -11.178726      2.912725      2.975847
  H     -10.053100      0.735275      3.428549
  H      -8.277303      0.567137      5.133984
  N      -2.099003      3.052836      3.557141
  H      -1.250583      2.836110      3.028360
  H      -2.073248      4.052742      3.783200
  H      -2.877173      2.914915      2.906964
  N      -4.377859      1.643915      4.865988
  N      -5.452733      1.524378      4.474346
101
Coordinates from ORCA-job orca E -6762.589202400844
  N      -2.329867      3.534980      6.396105
  Mo     -2.540414      1.735658      5.504711
  N      -2.840917      0.557785      7.058112
  C      -1.702108      0.251819      7.924904
  C      -0.638513      1.333287      7.789531
  N      -0.447090      1.677597      6.353737
  C       0.064591      3.051755      6.158270
  C      -0.994961      4.067942      6.602790
  C       0.369027      0.655184      5.646648
  C      -0.190884      0.474141      4.232013
  N      -1.633208      0.341474      4.311973
  H      -0.825879      5.015554      6.053416
  H      -0.857043      4.315044      7.676620
  H       0.274940      3.159347      5.085387
  H       1.014261      3.211223      6.703199
  H       0.281698     -0.401648      3.752343
  H       0.090409      1.345208      3.612890
  H       0.257340     -0.291669      6.192549
  H       1.438171      0.932788      5.657441
  H      -2.004294      0.197474      8.987967
  H      -1.287175     -0.747795      7.676884
  H      -0.986520      2.239429      8.300101
  H       0.317314      1.022022      8.247671
  C      -3.341517      4.154404      7.223059
  C      -3.717608      5.587208      6.831960
  O      -4.561669      5.585322      5.652886
  C      -3.980147      5.745297      4.460799
  O      -2.795633      6.010691      4.278647
  C      -4.983920      5.568686      3.349174
  N      -5.948660      4.687827      3.575293
  C      -6.858347      4.497023      2.587869
  N      -6.930753      5.142966      1.439160
  C      -5.943342      6.049699      1.187599
  C      -5.959138      6.745215     -0.046509
  C      -4.953275      7.637060     -0.349950
  C      -3.903541      7.875593      0.569144
  C      -3.863923      7.221829      1.783550
  C      -4.881250      6.291436      2.121287
  C      -2.143005     -1.017554      4.306720
  C      -2.417508     -1.582881      2.909558
  O      -3.368844     -0.778573      2.176017
  C      -4.675685     -0.910970      2.520865
  O      -5.076770     -1.704565      3.349135
  C      -5.571341      0.010190      1.722823
  N      -6.849477     -0.360723      1.750528
  C      -7.726382      0.367365      1.027701
  N      -7.468318      1.407080      0.253345
  C      -6.166621      1.816474      0.216020
  C      -5.843379      2.938837     -0.586981
  C      -4.552753      3.419217     -0.629682
  C      -3.543235      2.794946      0.134971
  C      -3.822060      1.687177      0.912700
  C      -5.136975      1.153030      0.969158
  C      -4.034433     -0.198682      7.413133
  C      -4.932421      0.501668      8.430236
  O      -5.583906      1.654989      7.843821
  C      -6.768117      1.416368      7.234180
  O      -7.304892      0.321664      7.183951
  C      -7.372612      2.684212      6.688247
  N      -6.999090      3.817170      7.272880
  C      -7.617888      4.952705      6.867222
  N      -8.583189      5.068359      5.976619
  C      -8.961281      3.917361      5.344747
  C      -9.961993      3.989622      4.344399
  C     -10.324350      2.856090      3.648261
  C      -9.699108      1.616825      3.922507
  C      -8.734491      1.509875      4.903184
  C      -8.354867      2.653754      5.650243
  H      -2.994532      4.205262      8.279904
  H      -4.259026      3.551129      7.219692
  H      -2.837363      6.218467      6.650589
  H      -4.343250      6.031180      7.617014
  H      -7.612764      3.729855      2.778729
  H      -6.778966      6.539451     -0.735782
  H      -4.964150      8.163455     -1.305841
  H      -3.117623      8.587792      0.312460
  H      -3.053556      7.401181      2.487285
  H      -3.084234     -1.061882      4.869641
  H      -1.445431     -1.724453      4.802598
  H      -2.798373     -2.611790      2.994975
  H      -1.515628     -1.571755      2.282764
  H      -8.769985      0.042685      1.082803
  H      -6.652966      3.418048     -1.137081
  H      -4.312390      4.293622     -1.236505
  H      -2.526268      3.192259      0.108272
  H      -3.030828      1.204949      1.479432
  H      -4.631680     -0.407633      6.514207
  H      -3.753812     -1.180066      7.841722
  H      -5.698561     -0.188113      8.808902
  H      -4.346947      0.909178      9.264957
  H      -7.281834      5.873196      7.354559
  H     -10.405065      4.964001      4.135110
  H     -11.082864      2.915354      2.865858
  H      -9.977541      0.733706      3.345925
  H      -8.247299      0.557646      5.097289
  N      -2.071531      3.062834      3.562362
  H      -1.222982      2.843289      3.034855
  H      -2.042718      4.061326      3.795817
  H      -2.849534      2.936960      2.908682
  N      -4.362416      1.649535      4.845656
  N      -5.434086      1.531589      4.444909
101
Coordinates from ORCA-job orca E -6762.589273786944
  N      -2.332151      3.536308      6.395941
  Mo     -2.540560      1.737630      5.502289
  N      -2.841729      0.558723      7.055544
  C      -1.703403      0.253827      7.923416
  C      -0.640325      1.335765      7.789111
  N      -0.447992      1.681037      6.353698
  C       0.062886      3.055861      6.160064
  C      -0.997585      4.070006      6.606150
  C       0.370525      0.660485      5.646319
  C      -0.188108      0.480196      4.230961
  N      -1.630329      0.345247      4.311200
  H      -0.828136      5.019243      6.060573
  H      -0.860851      4.313781      7.681011
  H       0.274009      3.164810      5.087523
  H       1.011971      3.215414      6.705932
  H       0.285705     -0.395373      3.751763
  H       0.092251      1.351680      3.611939
  H       0.259761     -0.287360      6.190823
  H       1.439222      0.939723      5.658860
  H      -2.005998      0.198831      8.986319
  H      -1.287324     -0.745474      7.675588
  H      -0.989136      2.241488      8.300097
  H       0.315481      1.024656      8.247683
  C      -3.345014      4.153802      7.222826
  C      -3.719066      5.588204      6.837412
  O      -4.557268      5.591960      5.654379
  C      -3.970375      5.762416      4.466356
  O      -2.782632      6.018163      4.292303
  C      -4.967290      5.583182      3.348467
  N      -5.930479      4.699008      3.568826
  C      -6.837710      4.510400      2.578795
  N      -6.911042      5.162882      1.433701
  C      -5.924670      6.072141      1.187521
  C      -5.942140      6.776429     -0.041856
  C      -4.939375      7.674009     -0.338082
  C      -3.890363      7.908680      0.582924
  C      -3.848912      7.246487      1.792370
  C      -4.863958      6.311305      2.123826
  C      -2.136792     -1.015348      4.307974
  C      -2.410794     -1.580793      2.910946
  O      -3.373800     -0.785329      2.182621
  C      -4.680008     -0.944058      2.519416
  O      -5.072477     -1.757583      3.332559
  C      -5.586363     -0.032732      1.722628
  N      -6.858206     -0.426284      1.737283
  C      -7.742058      0.292720      1.013815
  N      -7.496371      1.343758      0.250312
  C      -6.200671      1.773628      0.223497
  C      -5.889667      2.904619     -0.571825
  C      -4.606057      3.403913     -0.604633
  C      -3.591318      2.790659      0.162889
  C      -3.858272      1.674829      0.933027
  C      -5.165392      1.121468      0.978855
  C      -4.034312     -0.199036      7.409750
  C      -4.932169      0.499425      8.428255
  O      -5.582975      1.654106      7.842570
  C      -6.767310      1.417755      7.232234
  O      -7.305813      0.324270      7.179706
  C      -7.366875      2.686748      6.682827
  N      -6.990090      3.818918      7.266324
  C      -7.601678      4.956624      6.856184
  N      -8.561575      5.075369      5.960160
  C      -8.943273      3.924963      5.329570
  C      -9.937945      4.000580      4.323349
  C     -10.302561      2.867753      3.627599
  C      -9.685822      1.625574      3.907992
  C      -8.727659      1.515100      4.894431
  C      -8.344970      2.658681      5.640710
  H      -3.000787      4.199684      8.280842
  H      -4.262988      3.551326      7.214762
  H      -2.837975      6.220115      6.662573
  H      -4.347837      6.028477      7.621842
  H      -7.591160      3.741180      2.765157
  H      -6.761251      6.573349     -0.733101
  H      -4.952552      8.209197     -1.289250
  H      -3.106988      8.625659      0.332224
  H      -3.039688      7.424399      2.497806
  H      -3.076562     -1.063257      4.872880
  H      -1.435883     -1.719500      4.803383
  H      -2.779270     -2.614136      2.995049
  H      -1.511766     -1.557166      2.280809
  H      -8.780432     -0.050767      1.058282
  H      -6.703321      3.373893     -1.124882
  H      -4.375378      4.284825     -1.205830
  H      -2.579839      3.202359      0.143852
  H      -3.063407      1.201250      1.502824
  H      -4.631888     -0.406572      6.510565
  H      -3.753199     -1.181162      7.836758
  H      -5.698945     -0.191363      8.805479
  H      -4.346312      0.905588      9.264171
  H      -7.261328      5.876591      7.341646
  H     -10.374342      4.976895      4.109290
  H     -11.056239      2.929605      2.840782
  H      -9.966244      0.742957      3.331873
  H      -8.249002      0.560036      5.095222
  N      -2.071720      3.067521      3.561529
  H      -1.225835      2.845381      3.030765
  H      -2.039451      4.065359      3.797407
  H      -2.852890      2.947207      2.910338
  N      -4.362196      1.648902      4.840839
  N      -5.432975      1.528440      4.438013
101
Coordinates from ORCA-job orca E -6762.589352358286
  N      -2.333147      3.529640      6.390721
  Mo     -2.534117      1.728165      5.504674
  N      -2.836123      0.553234      7.060266
  C      -1.698929      0.253290      7.931423
  C      -0.638583      1.338272      7.797671
  N      -0.442840      1.680734      6.362242
  C       0.064633      3.056543      6.166366
  C      -1.001128      4.068953      6.604071
  C       0.380557      0.660897      5.659445
  C      -0.172643      0.476626      4.242330
  N      -1.614634      0.338370      4.319591
  H      -0.833828      5.016857      6.054999
  H      -0.870437      4.316806      7.678549
  H       0.280270      3.163093      5.094595
  H       1.010717      3.220913      6.716067
  H       0.304493     -0.399017      3.766678
  H       0.107518      1.347231      3.622179
  H       0.269657     -0.286376      6.204862
  H       1.448638      0.942686      5.675212
  H      -2.003981      0.199646      8.993696
  H      -1.279465     -0.745268      7.686609
  H      -0.991878      2.244017      8.305227
  H       0.316545      1.031575      8.260000
  C      -3.350815      4.144607      7.213636
  C      -3.728433      5.577400      6.825938
  O      -4.562322      5.581172      5.639960
  C      -3.970442      5.754299      4.454675
  O      -2.780970      6.006726      4.286631
  C      -4.964342      5.595589      3.331618
  N      -5.934273      4.713969      3.533952
  C      -6.838039      4.547907      2.536468
  N      -6.896428      5.212869      1.397295
  C      -5.901952      6.118509      1.169580
  C      -5.904962      6.839919     -0.050111
  C      -4.898159      7.741315     -0.322939
  C      -3.859442      7.961889      0.612824
  C      -3.831434      7.281497      1.812933
  C      -4.850024      6.341765      2.119415
  C      -2.121611     -1.021763      4.308967
  C      -2.403345     -1.577583      2.909598
  O      -3.372948     -0.777874      2.194583
  C      -4.675866     -0.942065      2.542824
  O      -5.056240     -1.754001      3.363192
  C      -5.595100     -0.037444      1.753647
  N      -6.866098     -0.432079      1.793914
  C      -7.763957      0.280612      1.082021
  N      -7.534164      1.328278      0.309468
  C      -6.239354      1.758530      0.255036
  C      -5.945289      2.883400     -0.554790
  C      -4.662343      3.382133     -0.618788
  C      -3.632714      2.774864      0.132713
  C      -3.883656      1.664841      0.916829
  C      -5.188991      1.111681      0.993922
  C      -4.029292     -0.203167      7.416112
  C      -4.931019      0.502035      8.426353
  O      -5.578425      1.653507      7.831111
  C      -6.762941      1.414561      7.222331
  O      -7.303888      0.321891      7.180412
  C      -7.361586      2.680517      6.664508
  N      -6.985648      3.816570      7.241396
  C      -7.598353      4.951422      6.824498
  N      -8.557472      5.064323      5.926904
  C      -8.939311      3.909654      5.304337
  C      -9.935739      3.978022      4.299579
  C     -10.304251      2.839476      3.614956
  C      -9.689064      1.598787      3.905093
  C      -8.727552      1.495872      4.889062
  C      -8.341392      2.645437      5.624333
  H      -3.009928      4.193661      8.272646
  H      -4.266688      3.539035      7.203677
  H      -2.848520      6.212107      6.655259
  H      -4.361975      6.014850      7.608277
  H      -7.601688      3.785646      2.710113
  H      -6.717611      6.648259     -0.751947
  H      -4.900194      8.291672     -1.265414
  H      -3.073448      8.682696      0.381606
  H      -3.029717      7.449658      2.529457
  H      -3.060018     -1.071446      4.876279
  H      -1.419944     -1.729221      4.798362
  H      -2.770097     -2.611793      2.988861
  H      -1.508542     -1.547227      2.273611
  H      -8.800699     -0.063924      1.147214
  H      -6.771525      3.345676     -1.094592
  H      -4.443368      4.257088     -1.232797
  H      -2.622003      3.185878      0.089859
  H      -3.076471      1.195382      1.472060
  H      -4.623224     -0.418999      6.516370
  H      -3.748471     -1.181390      7.852283
  H      -5.699760     -0.185977      8.804188
  H      -4.348291      0.912019      9.262391
  H      -7.260245      5.874386      7.305769
  H     -10.371506      4.953070      4.078442
  H     -11.060093      2.895384      2.829687
  H      -9.973515      0.711216      3.338358
  H      -8.248453      0.542285      5.096077
  N      -2.067297      3.052615      3.558993
  H      -1.228798      2.820761      3.020712
  H      -2.022821      4.050390      3.792456
  H      -2.855736      2.938965      2.915614
  N      -4.353385      1.633140      4.837896
  N      -5.422651      1.509529      4.432258
101
Coordinates from ORCA-job orca E -6762.589375781986
  N      -2.325351      3.527958      6.393269
  Mo     -2.528113      1.725791      5.508863
  N      -2.836118      0.552089      7.064511
  C      -1.701667      0.252297      7.939710
  C      -0.639351      1.335698      7.807604
  N      -0.439282      1.676583      6.372398
  C       0.071778      3.050686      6.175658
  C      -0.993266      4.066077      6.607619
  C       0.384341      0.655267      5.672999
  C      -0.163479      0.473660      4.253876
  N      -1.605587      0.337590      4.325864
  H      -0.823496      5.012103      6.056040
  H      -0.864699      4.316901      7.681659
  H       0.291702      3.154681      5.104255
  H       1.016177      3.214246      6.728615
  H       0.313933     -0.402478      3.779742
  H       0.120214      1.344341      3.635389
  H       0.268626     -0.292207      6.216953
  H       1.452943      0.934293      5.693521
  H      -2.009983      0.200560      9.001104
  H      -1.282748     -0.747044      7.697349
  H      -0.992554      2.242367      8.313603
  H       0.314290      1.027835      8.272627
  C      -3.342810      4.148095      7.212589
  C      -3.715663      5.580572      6.818959
  O      -4.548964      5.582918      5.632510
  C      -3.957951      5.751647      4.446178
  O      -2.770815      6.012510      4.275349
  C      -4.957485      5.605688      3.326969
  N      -5.928238      4.724774      3.527402
  C      -6.837285      4.568809      2.533469
  N      -6.898485      5.240948      1.398846
  C      -5.902282      6.145110      1.172347
  C      -5.907029      6.872842     -0.043568
  C      -4.899060      7.773271     -0.314638
  C      -3.857290      7.986683      0.619435
  C      -3.826520      7.299123      1.815155
  C      -4.846088      6.359739      2.119496
  C      -2.113293     -1.022062      4.311250
  C      -2.386972     -1.573512      2.908816
  O      -3.361589     -0.778410      2.195484
  C      -4.663997     -0.961392      2.535859
  O      -5.036577     -1.776703      3.356513
  C      -5.592878     -0.072590      1.740226
  N      -6.855404     -0.494021      1.767973
  C      -7.762216      0.201527      1.050626
  N      -7.548536      1.257814      0.285343
  C      -6.262798      1.715689      0.243373
  C      -5.986906      2.850439     -0.559379
  C      -4.714360      3.376335     -0.612700
  C      -3.677793      2.787579      0.143265
  C      -3.910453      1.668752      0.921056
  C      -5.204456      1.087400      0.987107
  C      -4.030259     -0.204525      7.416868
  C      -4.936936      0.500457      8.422652
  O      -5.581524      1.652080      7.825156
  C      -6.765590      1.415554      7.214544
  O      -7.310341      0.324587      7.174210
  C      -7.362130      2.684069      6.660080
  N      -6.981798      3.818009      7.238453
  C      -7.589609      4.955832      6.822627
  N      -8.547355      5.073694      5.924291
  C      -8.933447      3.921391      5.300044
  C      -9.928517      3.995206      4.294269
  C     -10.303348      2.858574      3.610070
  C      -9.695762      1.614439      3.901258
  C      -8.734617      1.506434      4.884987
  C      -8.342283      2.653923      5.620202
  H      -3.003204      4.200385      8.271945
  H      -4.260148      3.544932      7.203804
  H      -2.833751      6.212015      6.646493
  H      -4.348666      6.022720      7.599232
  H      -7.602830      3.807987      2.705942
  H      -6.722686      6.687563     -0.743635
  H      -4.902212      8.328967     -1.254080
  H      -3.070401      8.706957      0.389681
  H      -3.021436      7.461447      2.529092
  H      -3.054572     -1.072407      4.873878
  H      -1.414650     -1.730336      4.803324
  H      -2.745668     -2.611181      2.981469
  H      -1.490401     -1.531816      2.275752
  H      -8.791003     -0.168504      1.101984
  H      -6.819276      3.297060     -1.102675
  H      -4.509464      4.258745     -1.221183
  H      -2.675559      3.220411      0.109672
  H      -3.096630      1.214740      1.479603
  H      -4.620345     -0.421576      6.515082
  H      -3.750352     -1.182015      7.854885
  H      -5.707390     -0.187097      8.796152
  H      -4.358667      0.909619      9.261385
  H      -7.249151      5.876704      7.306209
  H     -10.359033      4.972630      4.073079
  H     -11.058702      2.918502      2.824692
  H      -9.985698      0.728398      3.335155
  H      -8.261001      0.550222      5.092716
  N      -2.056751      3.049935      3.564504
  H      -1.221089      2.812329      3.024777
  H      -2.006223      4.047510      3.797302
  H      -2.847179      2.941033      2.922791
  N      -4.346062      1.630636      4.837792
  N      -5.415432      1.507041      4.432431
101
Coordinates from ORCA-job orca E -6762.589434056246
  N      -2.329796      3.523602      6.384520
  Mo     -2.527188      1.717850      5.505932
  N      -2.834927      0.548792      7.065881
  C      -1.700806      0.254498      7.943179
  C      -0.640879      1.339965      7.809180
  N      -0.439435      1.677419      6.373368
  C       0.068784      3.052370      6.173994
  C      -0.999507      4.065209      6.602780
  C       0.388842      0.656756      5.678133
  C      -0.156482      0.469472      4.258551
  N      -1.598270      0.330223      4.330476
  H      -0.830258      5.012077      6.052692
  H      -0.874427      4.315486      7.677402
  H       0.290435      3.154252      5.102837
  H       1.011658      3.219304      6.728469
  H       0.323279     -0.407427      3.788175
  H       0.125565      1.338899      3.637576
  H       0.275575     -0.289815      6.224231
  H       1.456450      0.939562      5.700151
  H      -2.009531      0.204735      9.004584
  H      -1.279052     -0.744511      7.703922
  H      -0.996646      2.247174      8.312455
  H       0.312788      1.035544      8.276431
  C      -3.350585      4.142506      7.200336
  C      -3.721650      5.575093      6.807566
  O      -4.546325      5.580652      5.615239
  C      -3.947048      5.755183      4.433696
  O      -2.755953      6.002168      4.271610
  C      -4.940727      5.616271      3.307919
  N      -5.909726      4.730458      3.495075
  C      -6.818108      4.587380      2.498550
  N      -6.880894      5.276531      1.374102
  C      -5.885494      6.184458      1.160507
  C      -5.890933      6.930264     -0.044569
  C      -4.883326      7.834796     -0.302612
  C      -3.841850      8.035607      0.634686
  C      -3.810841      7.331233      1.820470
  C      -4.829166      6.386118      2.110763
  C      -2.104019     -1.030350      4.314529
  C      -2.380960     -1.578312      2.911867
  O      -3.362526     -0.784257      2.206444
  C      -4.662482     -0.978079      2.551047
  O      -5.025408     -1.798078      3.371456
  C      -5.601635     -0.093563      1.763284
  N      -6.860042     -0.527505      1.792633
  C      -7.775762      0.162736      1.081596
  N      -7.575271      1.225856      0.322273
  C      -6.293387      1.694841      0.276722
  C      -6.030887      2.835228     -0.522196
  C      -4.763150      3.372189     -0.578863
  C      -3.717907      2.788678      0.169321
  C      -3.937818      1.664678      0.943281
  C      -5.226549      1.072705      1.013246
  C      -4.028257     -0.207781      7.420027
  C      -4.936505      0.500268      8.422280
  O      -5.578355      1.650830      7.818807
  C      -6.762326      1.414380      7.208237
  O      -7.307138      0.323591      7.166301
  C      -7.354157      2.681649      6.644848
  N      -6.973361      3.817409      7.219118
  C      -7.578623      4.954439      6.797565
  N      -8.534665      5.069842      5.897125
  C      -8.922035      3.915467      5.277696
  C      -9.916735      3.986338      4.271274
  C     -10.292292      2.847511      3.591223
  C      -9.687102      1.603560      3.888423
  C      -8.727971      1.497939      4.874260
  C      -8.333344      2.648303      5.604128
  H      -3.015798      4.193038      8.261304
  H      -4.267836      3.539059      7.186800
  H      -2.838982      6.207426      6.642346
  H      -4.360301      6.014854      7.584551
  H      -7.580970      3.821207      2.658460
  H      -6.706060      6.754648     -0.747764
  H      -4.885795      8.403563     -1.234137
  H      -3.055241      8.759461      0.415568
  H      -3.005954      7.484385      2.536707
  H      -3.043572     -1.083622      4.879678
  H      -1.402685     -1.737706      4.804073
  H      -2.734911     -2.617692      2.981843
  H      -1.487745     -1.529277      2.274746
  H      -8.800495     -0.218624      1.133620
  H      -6.870119      3.276787     -1.059330
  H      -4.568787      4.259451     -1.183755
  H      -2.719286      3.229394      0.132706
  H      -3.118375      1.215422      1.497357
  H      -4.617872     -0.427941      6.518506
  H      -3.748084     -1.183850      7.861294
  H      -5.708625     -0.185882      8.795546
  H      -4.359968      0.911521      9.261449
  H      -7.237791      5.876574      7.278490
  H     -10.345913      4.963342      4.045748
  H     -11.046524      2.905258      2.804611
  H      -9.977911      0.715835      3.325324
  H      -8.257979      0.541350      5.088518
  N      -2.059466      3.038063      3.556582
  H      -1.233723      2.787452      3.007498
  H      -1.993616      4.034982      3.788304
  H      -2.859260      2.940980      2.924725
  N      -4.344902      1.614833      4.833269
  N      -5.413369      1.487188      4.426646
101
Coordinates from ORCA-job orca E -6762.589443199258
  N      -2.327476      3.523250      6.382067
  Mo     -2.528923      1.713537      5.512455
  N      -2.831390      0.550500      7.078288
  C      -1.694323      0.260331      7.953119
  C      -0.634943      1.345196      7.810743
  N      -0.438327      1.676488      6.372798
  C       0.069877      3.050514      6.166093
  C      -0.996386      4.065377      6.594464
  C       0.387597      0.653157      5.678394
  C      -0.161887      0.462518      4.260666
  N      -1.603535      0.324328      4.337922
  H      -0.828852      5.010094      6.040523
  H      -0.867595      4.319544      7.667896
  H       0.287951      3.147683      5.093798
  H       1.014711      3.219178      6.716617
  H       0.315921     -0.415942      3.791146
  H       0.118782      1.330448      3.636638
  H       0.275350     -0.291967      6.227245
  H       1.455461      0.935489      5.697023
  H      -1.999065      0.214706      9.015869
  H      -1.272767     -0.739446      7.716419
  H      -0.988861      2.254665      8.311463
  H       0.320336      1.042597      8.276027
  C      -3.345966      4.146090      7.197683
  C      -3.713948      5.578939      6.803647
  O      -4.537415      5.586798      5.610332
  C      -3.936651      5.764670      4.430020
  O      -2.743875      6.003427      4.269756
  C      -4.930223      5.634601      3.302586
  N      -5.902220      4.750568      3.482818
  C      -6.812474      4.620004      2.485936
  N      -6.873071      5.318709      1.367113
  C      -5.874488      6.224978      1.160778
  C      -5.879918      6.985118     -0.035463
  C      -4.873405      7.894434     -0.281584
  C      -3.831676      8.083899      0.657808
  C      -3.799465      7.363985      1.834100
  C      -4.817891      6.415692      2.113145
  C      -2.111504     -1.035578      4.320196
  C      -2.390417     -1.581500      2.917058
  O      -3.374976     -0.788342      2.213691
  C      -4.673621     -0.988505      2.559618
  O      -5.033010     -1.816882      3.373172
  C      -5.618311     -0.108305      1.773565
  N      -6.875816     -0.544071      1.810181
  C      -7.797401      0.147111      1.107305
  N      -7.603896      1.214549      0.352312
  C      -6.322551      1.684474      0.298792
  C      -6.066771      2.827909     -0.497694
  C      -4.799157      3.363961     -0.563710
  C      -3.746878      2.775405      0.171016
  C      -3.960569      1.648436      0.942081
  C      -5.249466      1.059089      1.023189
  C      -4.023270     -0.205743      7.438164
  C      -4.934521      0.508092      8.433888
  O      -5.577853      1.652438      7.820009
  C      -6.761536      1.409279      7.211442
  O      -7.307372      0.318586      7.183322
  C      -7.352412      2.670528      6.633041
  N      -6.973400      3.812362      7.196536
  C      -7.573133      4.945576      6.757381
  N      -8.519507      5.052816      5.845791
  C      -8.903930      3.892092      5.236419
  C      -9.886502      3.954182      4.217541
  C     -10.258332      2.808589      3.547086
  C      -9.661350      1.566239      3.866638
  C      -8.713871      1.469293      4.864468
  C      -8.323058      2.627077      5.584633
  H      -3.010510      4.197179      8.258462
  H      -4.264505      3.544967      7.185787
  H      -2.830078      6.209746      6.639024
  H      -4.352520      6.019844      7.579951
  H      -7.580303      3.857923      2.641479
  H      -6.695220      6.818313     -0.740715
  H      -4.876314      8.476137     -1.205228
  H      -3.046212      8.811865      0.448250
  H      -2.994440      7.509017      2.552100
  H      -3.050507     -1.088054      4.886218
  H      -1.410580     -1.744360      4.808588
  H      -2.742725     -2.621392      2.985695
  H      -1.498549     -1.529928      2.278470
  H      -8.821368     -0.235525      1.166235
  H      -6.910894      3.271086     -1.025847
  H      -4.609564      4.253452     -1.166806
  H      -2.747887      3.214148      0.125797
  H      -3.136177      1.194413      1.484998
  H      -4.612165     -0.434599      6.538289
  H      -3.741050     -1.177706      7.887230
  H      -5.706144     -0.177086      8.810787
  H      -4.360324      0.926949      9.271255
  H      -7.233853      5.872550      7.230218
  H     -10.309599      4.929842      3.975340
  H     -11.002896      2.859415      2.750844
  H      -9.948724      0.673025      3.310629
  H      -8.249560      0.513939      5.095669
  N      -2.068332      3.027650      3.556290
  H      -1.253831      2.762196      2.997473
  H      -1.985608      4.024392      3.783004
  H      -2.877891      2.939840      2.935796
  N      -4.349960      1.608696      4.848802
  N      -5.421327      1.480893      4.449932
101
Coordinates from ORCA-job orca E -6762.589462369631
  N      -2.328813      3.516413      6.378157
  Mo     -2.522767      1.705816      5.508028
  N      -2.833120      0.543590      7.073466
  C      -1.700585      0.253386      7.953687
  C      -0.641115      1.338967      7.817387
  N      -0.437280      1.671647      6.380940
  C       0.070774      3.046539      6.178565
  C      -0.999840      4.060069      6.599513
  C       0.394183      0.649884      5.690575
  C      -0.146517      0.459969      4.269343
  N      -1.588436      0.319412      4.339067
  H      -0.829589      5.005245      6.046993
  H      -0.878716      4.314350      7.673802
  H       0.296947      3.144336      5.108145
  H       1.011237      3.215787      6.736346
  H       0.334940     -0.417526      3.801719
  H       0.136186      1.328973      3.647742
  H       0.279251     -0.295973      6.237634
  H       1.461673      0.933327      5.716440
  H      -2.010595      0.207644      9.014917
  H      -1.277500     -0.746336      7.719325
  H      -0.997765      2.247884      8.317077
  H       0.311818      1.036581      8.287168
  C      -3.353701      4.137957      7.186729
  C      -3.722719      5.569456      6.789168
  O      -4.543167      5.574345      5.593448
  C      -3.940777      5.757550      4.414728
  O      -2.748913      6.001701      4.256797
  C      -4.932843      5.629148      3.285372
  N      -5.896123      4.733712      3.455336
  C      -6.805783      4.606713      2.457349
  N      -6.875914      5.321183      1.349078
  C      -5.885145      6.237892      1.152536
  C      -5.897878      7.012288     -0.034412
  C      -4.896446      7.929350     -0.272756
  C      -3.852991      8.113181      0.665938
  C      -3.814641      7.380439      1.834338
  C      -4.827637      6.424052      2.104850
  C      -2.094146     -1.041421      4.317295
  C      -2.367996     -1.585248      2.912578
  O      -3.357943     -0.796706      2.211037
  C      -4.655161     -1.006759      2.556763
  O      -5.008701     -1.839269      3.368689
  C      -5.606183     -0.132085      1.772510
  N      -6.860604     -0.577106      1.807626
  C      -7.787319      0.110816      1.108023
  N      -7.602164      1.184067      0.359336
  C      -6.324040      1.663279      0.307567
  C      -6.076385      2.812408     -0.483076
  C      -4.811777      3.355703     -0.549152
  C      -3.754215      2.768144      0.178547
  C      -3.960040      1.636061      0.944218
  C      -5.245770      1.040367      1.026253
  C      -4.028407     -0.208476      7.430468
  C      -4.938674      0.508062      8.425460
  O      -5.576028      1.656480      7.812380
  C      -6.763469      1.421289      7.208525
  O      -7.317316      0.334563      7.183222
  C      -7.348290      2.686258      6.631816
  N      -6.958096      3.826025      7.191908
  C      -7.552568      4.962952      6.755035
  N      -8.502921      5.075894      5.848266
  C      -8.898708      3.917251      5.242237
  C      -9.885805      3.985230      4.228164
  C     -10.269130      2.841511      3.560833
  C      -9.680005      1.595136      3.879432
  C      -8.728557      1.492585      4.872956
  C      -8.325152      2.648556      5.589011
  H      -3.024957      4.190736      8.249553
  H      -4.270866      3.534611      7.169822
  H      -2.839590      6.201755      6.626177
  H      -4.364377      6.010311      7.562943
  H      -7.565564      3.834691      2.603197
  H      -6.714443      6.850066     -0.739196
  H      -4.904795      8.521859     -1.189329
  H      -3.071519      8.847230      0.462750
  H      -3.008520      7.521385      2.552153
  H      -3.034829     -1.096474      4.880416
  H      -1.393573     -1.749527      4.807186
  H      -2.713268     -2.627576      2.977808
  H      -1.476246     -1.525317      2.274576
  H      -8.808083     -0.280491      1.164200
  H      -6.924163      3.254020     -1.006916
  H      -4.628831      4.249954     -1.147106
  H      -2.757600      3.211678      0.132194
  H      -3.131908      1.182334      1.481537
  H      -4.616795     -0.434640      6.529473
  H      -3.750651     -1.181771      7.879473
  H      -5.714180     -0.174447      8.799752
  H      -4.364325      0.923538      9.264711
  H      -7.204378      5.887881      7.225263
  H     -10.303202      4.963572      3.986952
  H     -11.017233      2.896629      2.768135
  H      -9.976909      0.703340      3.325925
  H      -8.270352      0.534191      5.103803
  N      -2.052486      3.022802      3.555950
  H      -1.243390      2.747643      2.993838
  H      -1.956124      4.017562      3.785521
  H      -2.865369      2.948089      2.938161
  N      -4.340543      1.596307      4.834636
  N      -5.410088      1.465686      4.431477
101
Coordinates from ORCA-job orca E -6762.589479606523
  N      -2.323319      3.515213      6.370642
  Mo     -2.521341      1.700872      5.507755
  N      -2.833002      0.544739      7.077234
  C      -1.700375      0.255384      7.957627
  C      -0.639427      1.339088      7.817512
  N      -0.435703      1.666933      6.379885
  C       0.074659      3.040031      6.172347
  C      -0.993638      4.056642      6.590407
  C       0.394225      0.642162      5.692797
  C      -0.146979      0.449591      4.272456
  N      -1.588870      0.310535      4.342598
  H      -0.821425      5.000031      6.035089
  H      -0.871842      4.313800      7.663964
  H       0.299596      3.133569      5.101142
  H       1.016098      3.209458      6.728464
  H       0.333315     -0.429049      3.806120
  H       0.136441      1.317406      3.649533
  H       0.278150     -0.301979      6.242488
  H       1.462028      0.924244      5.717758
  H      -2.009897      0.213202      9.019157
  H      -1.278791     -0.745491      7.725744
  H      -0.994291      2.250071      8.314639
  H       0.313283      1.036525      8.287791
  C      -3.345913      4.142481      7.177574
  C      -3.706228      5.575253      6.776324
  O      -4.527437      5.583342      5.581114
  C      -3.925976      5.759543      4.400898
  O      -2.733173      5.994559      4.238007
  C      -4.925300      5.644308      3.276726
  N      -5.891683      4.752787      3.447312
  C      -6.809867      4.638629      2.455799
  N      -6.883186      5.360297      1.352780
  C      -5.887627      6.270961      1.154108
  C      -5.900869      7.047990     -0.030889
  C      -4.893556      7.957282     -0.272684
  C      -3.844098      8.132046      0.661247
  C      -3.804803      7.396165      1.827579
  C      -4.822858      6.445704      2.100295
  C      -2.093903     -1.050464      4.322913
  C      -2.366670     -1.595245      2.918493
  O      -3.355714     -0.807731      2.214544
  C      -4.653047     -1.017242      2.559812
  O      -5.006035     -1.844214      3.377601
  C      -5.604834     -0.140771      1.778168
  N      -6.857167     -0.591751      1.807469
  C      -7.785228      0.094942      1.108612
  N      -7.603420      1.173557      0.366906
  C      -6.327625      1.659573      0.321301
  C      -6.084316      2.816750     -0.459427
  C      -4.822645      3.367544     -0.518231
  C      -3.763520      2.779860      0.206556
  C      -3.964898      1.641089      0.963621
  C      -5.247891      1.037439      1.038644
  C      -4.029032     -0.205280      7.436155
  C      -4.940784      0.515784      8.426254
  O      -5.579008      1.660071      7.806999
  C      -6.765231      1.420047      7.202575
  O      -7.314564      0.330852      7.176619
  C      -7.353480      2.681591      6.622572
  N      -6.971892      3.823969      7.183614
  C      -7.573871      4.956811      6.746408
  N      -8.524663      5.063335      5.839289
  C      -8.911979      3.901986      5.232807
  C      -9.899803      3.962978      4.218952
  C     -10.275659      2.816362      3.552252
  C      -9.679144      1.573865      3.872227
  C      -8.727163      1.478065      4.865852
  C      -8.330354      2.637251      5.580237
  H      -3.017490      4.196077      8.240497
  H      -4.266190      3.543786      7.161559
  H      -2.819063      6.201294      6.611196
  H      -4.344798      6.022414      7.549203
  H      -7.571739      3.868531      2.600679
  H      -6.721786      6.893292     -0.732230
  H      -4.901556      8.550210     -1.188881
  H      -3.058031      8.860280      0.454928
  H      -2.993361      7.528240      2.540899
  H      -3.034179     -1.105800      4.886738
  H      -1.392392     -1.757461      4.812655
  H      -2.712300     -2.637637      2.983454
  H      -1.473672     -1.535840      2.281969
  H      -8.803704     -0.303323      1.158173
  H      -6.933023      3.259813     -0.980298
  H      -4.643573      4.268445     -1.107465
  H      -2.769285      3.229717      0.166084
  H      -3.135768      1.189024      1.500376
  H      -4.616350     -0.435959      6.535669
  H      -3.751833     -1.176333      7.889993
  H      -5.715732     -0.165191      8.803203
  H      -4.368117      0.936104      9.263645
  H      -7.233744      5.883858      7.218280
  H     -10.323724      4.938472      3.977453
  H     -11.024028      2.866152      2.759483
  H      -9.970761      0.679743      3.319687
  H      -8.262968      0.522647      5.097545
  N      -2.052370      3.012579      3.550721
  H      -1.250162      2.726938      2.984252
  H      -1.944870      4.006937      3.776113
  H      -2.870519      2.943551      2.939124
  N      -4.339970      1.592479      4.836984
  N      -5.410760      1.463761      4.436680
101
Coordinates from ORCA-job orca E -6762.589501839482
  N      -2.329778      3.511878      6.367579
  Mo     -2.525821      1.693635      5.511746
  N      -2.830675      0.541852      7.085787
  C      -1.695013      0.257100      7.963615
  C      -0.637017      1.342782      7.817637
  N      -0.438135      1.667020      6.378398
  C       0.068181      3.040870      6.165625
  C      -1.000755      4.055767      6.585331
  C       0.392528      0.642323      5.691782
  C      -0.151859      0.444969      4.273294
  N      -1.593358      0.303190      4.347604
  H      -0.831124      4.998828      6.029101
  H      -0.877358      4.313988      7.658570
  H       0.287945      3.132214      5.093126
  H       1.011736      3.213847      6.716973
  H       0.328939     -0.433782      3.807580
  H       0.128445      1.312016      3.647605
  H       0.280075     -0.300674      6.244227
  H       1.459716      0.926964      5.713323
  H      -2.001381      0.216837      9.026142
  H      -1.271565     -0.743348      7.733076
  H      -0.992600      2.254428      8.313239
  H       0.317751      1.043554      8.286096
  C      -3.353742      4.141102      7.171051
  C      -3.710469      5.573939      6.767349
  O      -4.526791      5.582541      5.568480
  C      -3.920719      5.761239      4.390927
  O      -2.727107      5.994393      4.232543
  C      -4.917561      5.653862      3.263238
  N      -5.883412      4.759980      3.423949
  C      -6.801496      4.656038      2.430944
  N      -6.874401      5.389280      1.335520
  C      -5.878837      6.302069      1.146613
  C      -5.892286      7.092456     -0.029648
  C      -4.886593      8.006495     -0.259565
  C      -3.838400      8.172770      0.677432
  C      -3.798621      7.423583      1.834970
  C      -4.815149      6.468106      2.095596
  C      -2.097158     -1.058248      4.326457
  C      -2.370074     -1.601776      2.921686
  O      -3.360476     -0.814547      2.218976
  C      -4.656999     -1.025498      2.565657
  O      -5.008328     -1.853672      3.382976
  C      -5.611360     -0.149668      1.785756
  N      -6.863021     -0.602261      1.817141
  C      -7.793627      0.084640      1.121626
  N      -7.615074      1.165376      0.382269
  C      -6.340001      1.652809      0.334291
  C      -6.100359      2.812546     -0.443730
  C      -4.839407      3.364435     -0.504864
  C      -3.776973      2.774780      0.213909
  C      -3.974975      1.633713      0.968297
  C      -5.257510      1.029723      1.046707
  C      -4.025200     -0.207539      7.451020
  C      -4.936498      0.518998      8.437576
  O      -5.574706      1.659243      7.810911
  C      -6.761242      1.416281      7.207932
  O      -7.314120      0.328643      7.193533
  C      -7.346274      2.674269      6.617563
  N      -6.959066      3.820380      7.167185
  C      -7.554187      4.951806      6.717488
  N      -8.501561      5.054451      5.806333
  C      -8.893869      3.889026      5.210805
  C      -9.876878      3.945565      4.191965
  C     -10.258438      2.794223      3.536922
  C      -9.672458      1.551239      3.873749
  C      -8.724446      1.460128      4.871459
  C      -8.321788      2.624495      5.574082
  H      -3.028575      4.195131      8.234994
  H      -4.274910      3.543968      7.152604
  H      -2.821900      6.198721      6.605288
  H      -4.351377      6.022542      7.537354
  H      -7.564889      3.886060      2.568704
  H      -6.712193      6.944633     -0.733744
  H      -4.894897      8.610064     -1.168893
  H      -3.053819      8.905069      0.480337
  H      -2.988215      7.548885      2.550674
  H      -3.036944     -1.115077      4.891060
  H      -1.394562     -1.765390      4.814539
  H      -2.714484     -2.644604      2.985544
  H      -1.477568     -1.540922      2.284769
  H      -8.811387     -0.315159      1.172896
  H      -6.951035      3.256792     -0.960557
  H      -4.663100      4.267384     -1.091795
  H      -2.783025      3.225158      0.171019
  H      -3.143887      1.180466      1.501027
  H      -4.613542     -0.444717      6.552837
  H      -3.746355     -1.175413      7.910609
  H      -5.711176     -0.160076      8.819242
  H      -4.363292      0.944839      9.272177
  H      -7.209827      5.881753      7.180520
  H     -10.293070      4.921209      3.937994
  H     -11.003392      2.840295      2.740728
  H      -9.969019      0.652912      3.330969
  H      -8.268098      0.504155      5.115859
  N      -2.064835      3.002865      3.550186
  H      -1.271697      2.706732      2.976304
  H      -1.945037      3.996571      3.772018
  H      -2.890228      2.940826      2.947731
  N      -4.346526      1.579847      4.848146
  N      -5.419389      1.448951      4.453828
101
Coordinates from ORCA-job orca E -6762.589528065493
  N      -2.329292      3.506485      6.356708
  Mo     -2.526172      1.681198      5.515049
  N      -2.828093      0.539362      7.096821
  C      -1.690554      0.258814      7.973368
  C      -0.633184      1.343995      7.819727
  N      -0.437391      1.660571      6.378402
  C       0.068284      3.033582      6.157764
  C      -1.000186      4.050520      6.573044
  C       0.392541      0.632754      5.695236
  C      -0.153555      0.429749      4.278160
  N      -1.595040      0.286970      4.355748
  H      -0.829851      4.990973      6.012499
  H      -0.876971      4.313757      7.645206
  H       0.285911      3.119434      5.084422
  H       1.012895      3.209547      6.706316
  H       0.326971     -0.450154      3.814353
  H       0.125385      1.295010      3.649195
  H       0.280307     -0.307878      6.251747
  H       1.459844      0.917350      5.714428
  H      -1.994588      0.223682      9.036756
  H      -1.267056     -0.742527      7.746892
  H      -0.987880      2.258277      8.311089
  H       0.322595      1.047457      8.287671
  C      -3.354482      4.142771      7.152898
  C      -3.703001      5.575643      6.742682
  O      -4.517288      5.586077      5.541914
  C      -3.909568      5.767060      4.365697
  O      -2.713728      5.987091      4.207700
  C      -4.908391      5.677322      3.237398
  N      -5.875081      4.781934      3.383625
  C      -6.798152      4.701264      2.392494
  N      -6.872655      5.456465      1.312090
  C      -5.874848      6.369721      1.137327
  C      -5.890691      7.185471     -0.021644
  C      -4.885654      8.105019     -0.233191
  C      -3.835173      8.250890      0.704665
  C      -3.792596      7.476095      1.845156
  C      -4.808811      6.515436      2.086859
  C      -2.098991     -1.074299      4.333778
  C      -2.373617     -1.617296      2.929090
  O      -3.366073     -0.831017      2.227574
  C      -4.661273     -1.041928      2.578479
  O      -5.010842     -1.872983      3.393505
  C      -5.618643     -0.165153      1.802888
  N      -6.870983     -0.614799      1.842235
  C      -7.805557      0.078294      1.158007
  N      -7.630837      1.164360      0.425918
  C      -6.354776      1.648026      0.369186
  C      -6.118932      2.813009     -0.401721
  C      -4.856233      3.359854     -0.472360
  C      -3.787713      2.758297      0.227428
  C      -3.982432      1.612493      0.975268
  C      -5.267278      1.015506      1.065306
  C      -4.023405     -0.204689      7.471151
  C      -4.933462      0.533600      8.450347
  O      -5.573782      1.665103      7.810368
  C      -6.763853      1.414605      7.217110
  O      -7.319128      0.328012      7.224646
  C      -7.347212      2.662689      6.605108
  N      -6.954260      3.818086      7.131204
  C      -7.542543      4.943049      6.657138
  N      -8.484562      5.032532      5.739028
  C      -8.881738      3.857053      5.166605
  C      -9.857635      3.898695      4.140310
  C     -10.246139      2.735855      3.510094
  C      -9.674441      1.495781      3.880208
  C      -8.731798      1.419750      4.884200
  C      -8.321638      2.596679      5.561192
  H      -3.034431      4.199573      8.218361
  H      -4.278022      3.549824      7.132119
  H      -2.810885      6.195255      6.580209
  H      -4.343022      6.030490      7.509767
  H      -7.565585      3.933342      2.519425
  H      -6.712588      7.054038     -0.726668
  H      -4.896809      8.729690     -1.128196
  H      -3.051736      8.988206      0.522136
  H      -2.980864      7.585624      2.562177
  H      -3.037808     -1.131285      4.900115
  H      -1.395417     -1.782016      4.819808
  H      -2.716669     -2.660510      2.992735
  H      -1.482112     -1.555312      2.290957
  H      -8.823685     -0.319335      1.215428
  H      -6.972900      3.265453     -0.905796
  H      -4.682743      4.267034     -1.053523
  H      -2.792054      3.203517      0.175237
  H      -3.147506      1.150589      1.494494
  H      -4.612636     -0.452783      6.576453
  H      -3.744654     -1.167180      7.942016
  H      -5.706963     -0.141363      8.841995
  H      -4.358817      0.970100      9.278670
  H      -7.194821      5.880437      7.102310
  H     -10.263701      4.871862      3.861584
  H     -10.986227      2.769955      2.708729
  H      -9.977815      0.587388      3.358285
  H      -8.285488      0.465804      5.153384
  N      -2.068968      2.982779      3.545923
  H      -1.296272      2.660643      2.958289
  H      -1.917707      3.973604      3.760299
  H      -2.908014      2.940990      2.961040
  N      -4.348612      1.564767      4.858286
  N      -5.424522      1.434619      4.471889
101
Coordinates from ORCA-job orca E -6762.589543545794
  N      -2.326604      3.503592      6.350865
  Mo     -2.525845      1.674583      5.516072
  N      -2.827759      0.538361      7.102022
  C      -1.689761      0.258840      7.978183
  C      -0.631303      1.342309      7.820493
  N      -0.436772      1.654814      6.378107
  C       0.070099      3.026831      6.153777
  C      -0.996807      4.045434      6.568080
  C       0.391906      0.624708      5.696786
  C      -0.155396      0.419168      4.280622
  N      -1.597002      0.276675      4.359859
  H      -0.823987      4.985427      6.007506
  H      -0.873743      4.308994      7.640271
  H       0.286293      3.110197      5.079918
  H       1.015606      3.202977      6.700702
  H       0.324385     -0.461666      3.817820
  H       0.123257      1.283323      3.649993
  H       0.279188     -0.314560      6.255497
  H       1.459428      0.908510      5.714700
  H      -1.992744      0.226942      9.041975
  H      -1.267456     -0.743567      7.754140
  H      -0.984289      2.258386      8.309752
  H       0.324720      1.045914      8.288074
  C      -3.351668      4.145723      7.142346
  C      -3.691648      5.579299      6.728103
  O      -4.503583      5.591053      5.525536
  C      -3.894428      5.772672      4.350227
  O      -2.698387      5.990425      4.192373
  C      -4.895227      5.691753      3.222652
  N      -5.856486      4.789500      3.359970
  C      -6.783335      4.718765      2.371586
  N      -6.866334      5.489337      1.302842
  C      -5.872918      6.408691      1.136268
  C      -5.896564      7.240026     -0.011439
  C      -4.895398      8.165487     -0.214740
  C      -3.841225      8.302477      0.720422
  C      -3.791286      7.512813      1.850303
  C      -4.803391      6.545695      2.083227
  C      -2.100662     -1.084717      4.339204
  C      -2.375730     -1.628525      2.934944
  O      -3.369684     -0.844163      2.233215
  C      -4.664340     -1.056402      2.584691
  O      -5.012952     -1.888018      3.399499
  C      -5.623154     -0.180332      1.809774
  N      -6.873866     -0.634636      1.844665
  C      -7.809865      0.059107      1.162862
  N      -7.638127      1.151200      0.439044
  C      -6.363466      1.639148      0.386350
  C      -6.130609      2.810736     -0.375363
  C      -4.869190      3.361020     -0.441999
  C      -3.798634      2.756121      0.251869
  C      -3.990561      1.604556      0.991435
  C      -5.274320      1.004745      1.078171
  C      -4.024450     -0.200612      7.481613
  C      -4.932519      0.546754      8.455829
  O      -5.572742      1.672970      7.806423
  C      -6.763621      1.417679      7.216766
  O      -7.320723      0.332113      7.237633
  C      -7.345601      2.659492      6.591243
  N      -6.947782      3.820404      7.101471
  C      -7.532664      4.941061      6.613411
  N      -8.473843      5.022074      5.693609
  C      -8.876137      3.840486      5.137368
  C      -9.850728      3.872432      4.109448
  C     -10.245879      2.702525      3.496677
  C      -9.683080      1.464647      3.887100
  C      -8.740950      1.398374      4.892232
  C      -8.322854      2.583105      5.550522
  H      -3.035485      4.203033      8.208998
  H      -4.277964      3.557119      7.119117
  H      -2.795964      6.193677      6.565379
  H      -4.330623      6.039875      7.492657
  H      -7.546095      3.944917      2.490150
  H      -6.720827      7.115539     -0.714979
  H      -4.912704      8.801812     -1.101387
  H      -3.060861      9.044492      0.544072
  H      -2.976896      7.614975      2.565458
  H      -3.038550     -1.142103      4.907035
  H      -1.395997     -1.791939      4.824429
  H      -2.716985     -2.672326      2.998819
  H      -1.484661     -1.565321      2.296351
  H      -8.826423     -0.343387      1.215262
  H      -6.985210      3.266326     -0.875605
  H      -4.698450      4.273622     -1.015479
  H      -2.803903      3.203781      0.201991
  H      -3.154784      1.141014      1.507959
  H      -4.614491     -0.453810      6.588859
  H      -3.747652     -1.160432      7.959054
  H      -5.706016     -0.124233      8.854364
  H      -4.356275      0.989982      9.279496
  H      -7.181625      5.882874      7.046434
  H     -10.250794      4.843687      3.815760
  H     -10.985106      2.728925      2.694235
  H      -9.992683      0.550034      3.379870
  H      -8.301399      0.445838      5.177026
  N      -2.069587      2.972407      3.543369
  H      -1.312160      2.632533      2.946077
  H      -1.895669      3.960101      3.754219
  H      -2.917591      2.947456      2.970541
  N      -4.349362      1.558441      4.862871
  N      -5.427047      1.429985      4.480499
101
Coordinates from ORCA-job orca E -6762.589556974121
  N      -2.319015      3.505641      6.353290
  Mo     -2.523232      1.678056      5.515183
  N      -2.830532      0.540631      7.099219
  C      -1.694409      0.255952      7.976246
  C      -0.631858      1.335738      7.821192
  N      -0.435072      1.649525      6.379454
  C       0.076673      3.020049      6.157953
  C      -0.987081      4.041434      6.573476
  C       0.390261      0.617355      5.697329
  C      -0.156834      0.414941      4.280863
  N      -1.599066      0.275797      4.358593
  H      -0.808896      4.982322      6.015845
  H      -0.864712      4.301686      7.646529
  H       0.294043      3.105200      5.084469
  H       1.022250      3.191939      6.706125
  H       0.320976     -0.466794      3.817670
  H       0.124629      1.278621      3.651055
  H       0.273775     -0.321964      6.255157
  H       1.458737      0.897456      5.715875
  H      -1.998963      0.223784      9.039569
  H      -1.275526     -0.747752      7.751706
  H      -0.982342      2.252377      8.311057
  H       0.322811      1.035726      8.289120
  C      -3.341632      4.152438      7.144130
  C      -3.674234      5.587181      6.728504
  O      -4.488360      5.599099      5.527567
  C      -3.881626      5.776736      4.350527
  O      -2.686121      5.994540      4.188932
  C      -4.885655      5.690487      3.226445
  N      -5.840454      4.782507      3.368437
  C      -6.770716      4.705777      2.384025
  N      -6.864718      5.476631      1.316525
  C      -5.878318      6.402628      1.145634
  C      -5.914067      7.235599     -0.000474
  C      -4.918524      8.165664     -0.209769
  C      -3.858119      8.306000      0.717770
  C      -3.797341      7.516008      1.847030
  C      -4.803799      6.544594      2.086286
  C      -2.104558     -1.084677      4.339343
  C      -2.379753     -1.629108      2.935211
  O      -3.371690     -0.844234      2.231851
  C      -4.667288     -1.051849      2.581942
  O      -5.019727     -1.880095      3.398361
  C      -5.621550     -0.174673      1.802378
  N      -6.872473     -0.628464      1.830151
  C      -7.804076      0.064596      1.141649
  N      -7.627031      1.155245      0.416751
  C      -6.351888      1.642806      0.371410
  C      -6.113221      2.812226     -0.391778
  C      -4.850978      3.361608     -0.451647
  C      -3.785612      2.758908      0.251927
  C      -3.983031      1.609650      0.993609
  C      -5.267405      1.009733      1.071931
  C      -4.030017     -0.193448      7.479160
  C      -4.933479      0.557506      8.455133
  O      -5.576191      1.682664      7.806408
  C      -6.767393      1.423813      7.218970
  O      -7.320765      0.336279      7.241849
  C      -7.352889      2.662138      6.590183
  N      -6.952816      3.825868      7.092116
  C      -7.539102      4.943842      6.599763
  N      -8.482308      5.020111      5.681565
  C      -8.887815      3.835357      5.134278
  C      -9.864512      3.861826      4.108202
  C     -10.265248      2.688092      3.506299
  C      -9.706274      1.451637      3.906394
  C      -8.760395      1.391136      4.908518
  C      -8.335815      2.579969      5.555014
  H      -3.026130      4.208783      8.211042
  H      -4.270741      3.568089      7.120095
  H      -2.775411      6.195980      6.561952
  H      -4.308932      6.053757      7.493048
  H      -7.526582      3.925670      2.505169
  H      -6.742956      7.108530     -0.698045
  H      -4.945965      8.802962     -1.095407
  H      -3.081839      9.051047      0.536328
  H      -2.979002      7.621163      2.557257
  H      -3.042351     -1.140613      4.907448
  H      -1.401019     -1.792955      4.824760
  H      -2.722053     -2.672580      2.999824
  H      -1.488008     -1.567504      2.297336
  H      -8.821153     -0.337638      1.187594
  H      -6.963300      3.267645     -0.899844
  H      -4.676250      4.272406     -1.026772
  H      -2.790618      3.206648      0.207825
  H      -3.151152      1.148613      1.518732
  H      -4.621412     -0.443933      6.586589
  H      -3.756881     -1.154611      7.956070
  H      -5.705488     -0.111843      8.859063
  H      -4.352739      1.002002      9.274807
  H      -7.186782      5.887930      7.026655
  H     -10.262109      4.831907      3.807348
  H     -11.006531      2.710277      2.705639
  H     -10.021100      0.533308      3.408976
  H      -8.323548      0.439550      5.200553
  N      -2.059849      2.976472      3.545042
  H      -1.308438      2.628810      2.944753
  H      -1.874293      3.961664      3.757343
  H      -2.909899      2.962494      2.974675
  N      -4.345950      1.569464      4.859652
  N      -5.424191      1.446579      4.476500
101
Coordinates from ORCA-job orca E -6762.589565529845
  N      -2.318609      3.505641      6.351356
  Mo     -2.523466      1.677465      5.515499
  N      -2.828802      0.541074      7.100332
  C      -1.691543      0.257177      7.976352
  C      -0.629327      1.337046      7.819538
  N      -0.434126      1.649988      6.377396
  C       0.076957      3.020413      6.154181
  C      -0.986599      4.041739      6.570344
  C       0.390535      0.617495      5.695057
  C      -0.158283      0.413868      4.279463
  N      -1.600263      0.274048      4.359157
  H      -0.809078      4.982601      6.012433
  H      -0.863551      4.302110      7.643277
  H       0.292931      3.104876      5.080334
  H       1.023134      3.193159      6.701098
  H       0.319486     -0.467902      3.816307
  H       0.121722      1.277338      3.648706
  H       0.274864     -0.321467      6.253634
  H       1.458981      0.897796      5.711991
  H      -1.995068      0.225544      9.039955
  H      -1.272825     -0.746566      7.751770
  H      -0.979586      2.253862      8.309205
  H       0.325885      1.037585      8.286683
  C      -3.340661      4.152698      7.142792
  C      -3.671932      5.588019      6.727928
  O      -4.484682      5.601686      5.526035
  C      -3.876522      5.780232      4.349833
  O      -2.680632      5.996971      4.189581
  C      -4.879540      5.698324      3.224671
  N      -5.833616      4.788586      3.361044
  C      -6.762434      4.715751      2.374788
  N      -6.854555      5.490533      1.309977
  C      -5.868689      6.418311      1.145019
  C      -5.901999      7.255502      0.001964
  C      -4.907301      8.188058     -0.200535
  C      -3.849962      8.326389      0.730781
  C      -3.791015      7.531468      1.856606
  C      -4.796538      6.557435      2.088664
  C      -2.105632     -1.086443      4.342607
  C      -2.386291     -1.631960      2.939930
  O      -3.379204     -0.846166      2.239123
  C      -4.674069     -1.051377      2.593452
  O      -5.024900     -1.876134      3.414093
  C      -5.629499     -0.174572      1.814895
  N      -6.880668     -0.627208      1.846776
  C      -7.813493      0.065209      1.159334
  N      -7.637340      1.153842      0.431297
  C      -6.361905      1.640111      0.381453
  C      -6.124281      2.807270     -0.385571
  C      -4.861859      3.355825     -0.449824
  C      -3.795552      2.754744      0.253500
  C      -3.991992      1.607592      0.998834
  C      -5.276295      1.008200      1.081270
  C      -4.028108     -0.192176      7.482705
  C      -4.931726      0.562113      8.455928
  O      -5.575077      1.684269      7.802940
  C      -6.764950      1.421286      7.214402
  O      -7.316335      0.332765      7.240685
  C      -7.351397      2.656297      6.580089
  N      -6.952065      3.822606      7.076788
  C      -7.538875      4.937985      6.579270
  N      -8.481595      5.009562      5.660189
  C      -8.886616      3.822070      5.118498
  C      -9.863077      3.843416      4.092087
  C     -10.263878      2.666716      3.496049
  C      -9.705473      1.432254      3.902884
  C      -8.759887      1.376738      4.905600
  C      -8.334721      2.568799      5.545673
  H      -3.024949      4.208138      8.209692
  H      -4.270307      3.569119      7.118433
  H      -2.772480      6.196275      6.562843
  H      -4.307062      6.054496      7.492183
  H      -7.518436      3.935036      2.491717
  H      -6.728691      7.130040     -0.698482
  H      -4.932988      8.828899     -1.083613
  H      -3.074326      9.073389      0.554644
  H      -2.974479      7.634580      2.569260
  H      -3.041488     -1.141941      4.913968
  H      -1.400412     -1.794251      4.826127
  H      -2.729940     -2.674882      3.006887
  H      -1.496499     -1.572354      2.299074
  H      -8.830845     -0.335624      1.209104
  H      -6.975351      3.261653     -0.892774
  H      -4.687791      4.264762     -1.028124
  H      -2.800486      3.202072      0.206370
  H      -3.159178      1.147869      1.523316
  H      -4.619258     -0.445692      6.590824
  H      -3.754734     -1.151656      7.962680
  H      -5.703145     -0.105873      8.863001
  H      -4.350750      1.010066      9.273419
  H      -7.188133      5.884166      7.002775
  H     -10.260367      4.812042      3.786160
  H     -11.004863      2.685014      2.695006
  H     -10.020702      0.511300      3.410623
  H      -8.323378      0.426535      5.202669
  N      -2.063496      2.973314      3.542674
  H      -1.315943      2.622302      2.939512
  H      -1.873695      3.958134      3.752875
  H      -2.915956      2.961385      2.975904
  N      -4.346505      1.568839      4.861590
  N      -5.424932      1.446501      4.478986
101
Coordinates from ORCA-job orca E -6762.589568949174
  N      -2.316801      3.506824      6.353329
  Mo     -2.523340      1.679765      5.516237
  N      -2.828206      0.541664      7.099817
  C      -1.690626      0.256725      7.975287
  C      -0.627924      1.336141      7.818857
  N      -0.433264      1.650215      6.376934
  C       0.078571      3.020390      6.154359
  C      -0.984299      4.042194      6.571399
  C       0.390106      0.617588      5.693277
  C      -0.159656      0.415517      4.277792
  N      -1.601609      0.276283      4.357974
  H      -0.806740      4.983244      6.013757
  H      -0.860478      4.302095      7.644345
  H       0.294729      3.105260      5.080592
  H       1.024771      3.192472      6.701499
  H       0.317722     -0.466021      3.813753
  H       0.120082      1.279497      3.647643
  H       0.273887     -0.321829      6.250974
  H       1.458834      0.896906      5.709879
  H      -1.993898      0.224534      9.038926
  H      -1.272662     -0.747097      7.749745
  H      -0.977531      2.252655      8.309531
  H       0.327353      1.035852      8.285277
  C      -3.337822      4.154408      7.145888
  C      -3.668342      5.590224      6.731745
  O      -4.480838      5.604711      5.529667
  C      -3.872453      5.782648      4.353482
  O      -2.676514      5.999302      4.193295
  C      -4.874504      5.697847      3.227775
  N      -5.826487      4.785844      3.364279
  C      -6.754263      4.709574      2.377221
  N      -6.847113      5.482669      1.311323
  C      -5.863913      6.413457      1.146807
  C      -5.899336      7.250920      0.004112
  C      -4.907969      8.187309     -0.197308
  C      -3.851735      8.328997      0.734747
  C      -3.790716      7.533766      1.860295
  C      -4.793090      6.556302      2.091394
  C      -2.107598     -1.084053      4.343358
  C      -2.391782     -1.630867      2.941790
  O      -3.384661     -0.844382      2.241714
  C      -4.679150     -1.047178      2.599043
  O      -5.029345     -1.868928      3.422963
  C      -5.634933     -0.172222      1.818997
  N      -6.885834     -0.625346      1.851255
  C      -7.818710      0.065190      1.161878
  N      -7.642621      1.152080      0.431287
  C      -6.367424      1.639085      0.381439
  C      -6.129858      2.804779     -0.387904
  C      -4.867889      3.354523     -0.451537
  C      -3.802114      2.755963      0.254556
  C      -3.998441      1.610039      1.001879
  C      -5.282089      1.009544      1.083762
  C      -4.027644     -0.191448      7.482367
  C      -4.931614      0.563364      8.454962
  O      -5.575371      1.685067      7.801760
  C      -6.763811      1.420383      7.210896
  O      -7.313199      0.330798      7.236066
  C      -7.350893      2.654667      6.575588
  N      -6.952366      3.821492      7.071838
  C      -7.538851      4.936417      6.572988
  N      -8.480162      5.007191      5.652389
  C      -8.884501      3.819230      5.111271
  C      -9.859639      3.839798      4.083610
  C     -10.259872      2.662673      3.488017
  C      -9.702114      1.428545      3.896637
  C      -8.757882      1.373755      4.900751
  C      -8.333361      2.566208      5.540398
  H      -3.021124      4.209011      8.212518
  H      -4.267879      3.571503      7.121952
  H      -2.768631      6.198244      6.567197
  H      -4.303440      6.056600      7.496114
  H      -7.508047      3.926696      2.494211
  H      -6.725088      7.122575     -0.696910
  H      -4.935114      8.828242     -1.080226
  H      -3.078649      9.078888      0.559484
  H      -2.974775      7.639657      2.573285
  H      -3.042503     -1.138664      4.916376
  H      -1.401921     -1.791595      4.826531
  H      -2.737201     -2.673057      3.010901
  H      -1.503065     -1.573628      2.299178
  H      -8.836007     -0.335588      1.212460
  H      -6.980887      3.256976     -0.897102
  H      -4.693844      4.262303     -1.031648
  H      -2.807550      3.204382      0.208321
  H      -3.165778      1.152251      1.528260
  H      -4.618432     -0.445146      6.590297
  H      -3.754346     -1.150747      7.962627
  H      -5.702778     -0.104419      8.862716
  H      -4.350498      1.011938      9.271938
  H      -7.188848      5.882976      6.996285
  H     -10.256395      4.808233      3.776362
  H     -10.999669      2.680502      2.685857
  H     -10.016554      0.507173      3.404636
  H      -8.321585      0.423825      5.199020
  N      -2.064419      2.975633      3.543672
  H      -1.317362      2.624987      2.939647
  H      -1.874343      3.960372      3.753867
  H      -2.917095      2.963939      2.977312
  N      -4.346540      1.572306      4.862673
  N      -5.424867      1.450556      4.479765
101
Coordinates from ORCA-job orca E -6762.589571212709
  N      -2.316770      3.507795      6.354264
  Mo     -2.524587      1.681316      5.516790
  N      -2.827823      0.542366      7.099951
  C      -1.689374      0.256719      7.974161
  C      -0.626623      1.335934      7.817229
  N      -0.433358      1.650576      6.375249
  C       0.078282      3.020711      6.152458
  C      -0.983743      4.042420      6.571634
  C       0.388914      0.617951      5.690240
  C      -0.162696      0.416225      4.275409
  N      -1.604538      0.277002      4.357183
  H      -0.806452      4.983971      6.014880
  H      -0.858778      4.301092      7.644765
  H       0.292723      3.105913      5.078385
  H       1.025329      3.192637      6.698182
  H       0.314262     -0.465211      3.810652
  H       0.116168      1.280376      3.645077
  H       0.273215     -0.321612      6.247815
  H       1.457738      0.897029      5.705517
  H      -1.991768      0.224126      9.038031
  H      -1.271988     -0.747145      7.747735
  H      -0.975734      2.252271      8.308649
  H       0.329065      1.035324      8.282630
  C      -3.336795      4.156191      7.147569
  C      -3.665197      5.592768      6.734478
  O      -4.476982      5.608845      5.531919
  C      -3.867854      5.786144      4.356040
  O      -2.671720      6.001852      4.196210
  C      -4.869359      5.700931      3.229814
  N      -5.819700      4.786969      3.365030
  C      -6.746978      4.709940      2.377420
  N      -6.840561      5.483798      1.312149
  C      -5.859144      6.416797      1.149151
  C      -5.895764      7.255840      0.007654
  C      -4.906865      8.195366     -0.191341
  C      -3.851722      8.338426      0.741787
  C      -3.789323      7.541390      1.865940
  C      -4.789298      6.560928      2.094624
  C      -2.110507     -1.083363      4.344880
  C      -2.397071     -1.631996      2.944503
  O      -3.389958     -0.845702      2.244307
  C      -4.684246     -1.046598      2.603364
  O      -5.034578     -1.866081      3.429465
  C      -5.639601     -0.172919      1.821348
  N      -6.890489     -0.625893      1.853005
  C      -7.822324      0.062942      1.160320
  N      -7.644873      1.147262      0.426302
  C      -6.369696      1.634429      0.377647
  C      -6.130692      2.797684     -0.394882
  C      -4.868792      3.347701     -0.457011
  C      -3.804643      2.752040      0.254081
  C      -4.002422      1.608362      1.004439
  C      -5.285808      1.007346      1.084332
  C      -4.027314     -0.189993      7.484021
  C      -4.930185      0.566490      8.456438
  O      -5.574843      1.687183      7.802574
  C      -6.762160      1.420154      7.210142
  O      -7.309474      0.329498      7.235563
  C      -7.350088      2.652899      6.572820
  N      -6.951467      3.820883      7.066408
  C      -7.537747      4.934714      6.565092
  N      -8.478563      5.003641      5.643798
  C      -8.883155      3.814475      5.105494
  C      -9.857713      3.833001      4.077241
  C     -10.258621      2.654632      3.484568
  C      -9.702096      1.421242      3.896930
  C      -8.758202      1.368494      4.901490
  C      -8.332859      2.562253      5.538046
  H      -3.019658      4.209376      8.214106
  H      -4.267716      3.574651      7.123214
  H      -2.764677      6.199833      6.570899
  H      -4.300082      6.059438      7.498803
  H      -7.499614      3.925846      2.493635
  H      -6.720653      7.126393     -0.694204
  H      -4.935150      8.837815     -1.073148
  H      -3.080633      9.090817      0.568485
  H      -2.974079      7.648387      2.579577
  H      -3.044526     -1.137488      4.919392
  H      -1.404062     -1.790355      4.827731
  H      -2.743635     -2.673636      3.015931
  H      -1.509151     -1.576939      2.300613
  H      -8.839788     -0.337295      1.210749
  H      -6.980780      3.247738     -0.907615
  H      -4.693646      4.253641     -1.039613
  H      -2.810258      3.201006      0.209530
  H      -3.170940      1.152646      1.534472
  H      -4.618642     -0.444375      6.592472
  H      -3.754095     -1.148882      7.965075
  H      -5.700655     -0.100659      8.866736
  H      -4.347609      1.016544      9.271676
  H      -7.187997      5.882137      6.986641
  H     -10.253635      4.800915      3.767303
  H     -10.997938      2.670971      2.681938
  H     -10.017021      0.498674      3.407517
  H      -8.322650      0.419093      5.202503
  N      -2.067232      2.976753      3.543838
  H      -1.322006      2.624701      2.938267
  H      -1.874775      3.961141      3.753565
  H      -2.920946      2.966764      2.979008
  N      -4.348171      1.574463      4.864539
  N      -5.426629      1.453280      4.481803
101
Coordinates from ORCA-job orca E -6762.589572023855
  N      -2.315667      3.508133      6.354673
  Mo     -2.524409      1.682263      5.516348
  N      -2.828135      0.542552      7.098904
  C      -1.689892      0.255827      7.973025
  C      -0.626569      1.334540      7.816672
  N      -0.433062      1.649805      6.374890
  C       0.079213      3.019805      6.152756
  C      -0.982264      4.041786      6.572519
  C       0.388644      0.617095      5.689310
  C      -0.163171      0.416343      4.274375
  N      -1.605064      0.277515      4.356087
  H      -0.804413      4.983656      6.016513
  H      -0.857203      4.299604      7.645852
  H       0.293711      3.105367      5.078732
  H       1.026321      3.191072      6.698579
  H       0.313567     -0.464947      3.809087
  H       0.115836      1.280808      3.644566
  H       0.272471     -0.322709      6.246391
  H       1.457622      0.895580      5.704745
  H      -1.992435      0.222974      9.036850
  H      -1.273127     -0.748207      7.746229
  H      -0.975267      2.250807      8.308532
  H       0.328935      1.033237      8.282018
  C      -3.335323      4.157229      7.147996
  C      -3.662655      5.594043      6.735120
  O      -4.474522      5.610409      5.532599
  C      -3.865469      5.786989      4.356641
  O      -2.669513      6.003113      4.196411
  C      -4.867146      5.700526      3.230542
  N      -5.814702      4.783637      3.364956
  C      -6.741981      4.704962      2.377405
  N      -6.838392      5.480182      1.313402
  C      -5.859834      6.416300      1.151298
  C      -5.899410      7.256991      0.011123
  C      -4.913124      8.199418     -0.187048
  C      -3.857682      8.343842      0.745571
  C      -3.792506      7.545304      1.868526
  C      -4.789864      6.562014      2.096364
  C      -2.110894     -1.082976      4.345580
  C      -2.397921     -1.633594      2.946105
  O      -3.391177     -0.848450      2.245017
  C      -4.685253     -1.048427      2.605378
  O      -5.035399     -1.866549      3.432879
  C      -5.640735     -0.175982      1.822139
  N      -6.891171     -0.630228      1.852146
  C      -7.822524      0.057134      1.157169
  N      -7.644843      1.140805      0.422281
  C      -6.370166      1.629643      0.375930
  C      -6.130877      2.792689     -0.396804
  C      -4.869532      3.344228     -0.456354
  C      -3.806226      2.750469      0.257645
  C      -4.004296      1.607062      1.008307
  C      -5.287040      1.004394      1.085326
  C      -4.028189     -0.189001      7.482875
  C      -4.930523      0.568192      8.455308
  O      -5.575075      1.689112      7.801760
  C      -6.761978      1.421913      7.208359
  O      -7.308902      0.331040      7.233303
  C      -7.349800      2.654655      6.571088
  N      -6.950669      3.822638      7.064343
  C      -7.536301      4.936588      6.562677
  N      -8.476854      5.005792      5.641086
  C      -8.881988      3.816645      5.103108
  C      -9.855913      3.835455      4.074262
  C     -10.257287      2.657155      3.481718
  C      -9.701828      1.423557      3.894869
  C      -8.758437      1.370571      4.899900
  C      -8.332602      2.564233      5.536290
  H      -3.018155      4.209857      8.214533
  H      -4.266688      3.576397      7.123348
  H      -2.761832      6.200656      6.571535
  H      -4.297257      6.061080      7.499450
  H      -7.492102      3.918369      2.492826
  H      -6.724346      7.126363     -0.690465
  H      -4.943695      8.843140     -1.067841
  H      -3.088696      9.098526      0.572942
  H      -2.977007      7.653433      2.581728
  H      -3.044663     -1.136718      4.920503
  H      -1.404127     -1.789242      4.829049
  H      -2.744608     -2.675062      3.019340
  H      -1.510333     -1.579681      2.301683
  H      -8.839696     -0.344070      1.206310
  H      -6.980432      3.241249     -0.911785
  H      -4.694246      4.250046     -1.039092
  H      -2.812354      3.200762      0.215253
  H      -3.173570      1.152803      1.540857
  H      -4.619584     -0.443052      6.591268
  H      -3.755646     -1.148040      7.964005
  H      -5.701032     -0.098593      8.866218
  H      -4.347296      1.018278      9.270122
  H      -7.186097      5.883935      6.984026
  H     -10.251042      4.803527      3.763816
  H     -10.996107      2.673750      2.678640
  H     -10.016966      0.500993      3.405569
  H      -8.323535      0.421056      5.201482
  N      -2.065917      2.977949      3.544113
  H      -1.321897      2.624522      2.937843
  H      -1.871067      3.961824      3.754071
  H      -2.920017      2.970309      2.979822
  N      -4.347915      1.576010      4.863683
  N      -5.426227      1.455135      4.480390
101
Coordinates from ORCA-job orca E -6762.589572428712
  N      -2.314907      3.508055      6.354535
  Mo     -2.524516      1.682436      5.516170
  N      -2.828401      0.542434      7.098500
  C      -1.690248      0.255024      7.972468
  C      -0.626533      1.333380      7.816199
  N      -0.432955      1.648807      6.374494
  C       0.079835      3.018678      6.152590
  C      -0.981229      4.041040      6.572429
  C       0.388232      0.615926      5.688600
  C      -0.163758      0.415982      4.273574
  N      -1.605705      0.277492      4.355183
  H      -0.803079      4.982894      6.016459
  H      -0.856019      4.298753      7.645767
  H       0.294423      3.104271      5.078587
  H       1.027003      3.189510      6.698454
  H       0.312798     -0.465069      3.807671
  H       0.115401      1.280794      3.644349
  H       0.271611     -0.324007      6.245374
  H       1.457351      0.893840      5.704177
  H      -1.992757      0.222181      9.036308
  H      -1.273925     -0.749143      7.745523
  H      -0.974873      2.249701      8.308200
  H       0.328858      1.031666      8.281521
  C      -3.334344      4.157977      7.147562
  C      -3.661015      5.594808      6.734392
  O      -4.473327      5.611288      5.532091
  C      -3.864662      5.786972      4.355892
  O      -2.668789      6.002616      4.194808
  C      -4.866905      5.700038      3.230199
  N      -5.812507      4.781168      3.363981
  C      -6.740099      4.701850      2.376684
  N      -6.838562      5.478334      1.313811
  C      -5.862120      6.416785      1.152554
  C      -5.904221      7.259433      0.013897
  C      -4.920020      8.204264     -0.183205
  C      -3.864253      8.349310      0.748970
  C      -3.796766      7.549011      1.870559
  C      -4.791993      6.563325      2.097256
  C      -2.111183     -1.083210      4.346449
  C      -2.397739     -1.636233      2.947861
  O      -3.391073     -0.852544      2.245010
  C      -4.684984     -1.050903      2.606844
  O      -5.035230     -1.867073      3.436194
  C      -5.640435     -0.179411      1.822484
  N      -6.890543     -0.634568      1.851096
  C      -7.821392      0.051815      1.154317
  N      -7.643416      1.135129      0.419059
  C      -6.369143      1.625289      0.374778
  C      -6.129550      2.788545     -0.397528
  C      -4.868601      3.341213     -0.454775
  C      -3.805962      2.748459      0.261083
  C      -4.004338      1.604947      1.011483
  C      -5.286697      1.001128      1.086034
  C      -4.028859     -0.188602      7.482329
  C      -4.931093      0.569077      8.454457
  O      -5.575150      1.690289      7.801022
  C      -6.762075      1.423624      7.207231
  O      -7.309359      0.332924      7.231885
  C      -7.349227      2.656708      6.570219
  N      -6.949874      3.824440      7.063988
  C      -7.534905      4.938726      6.562464
  N      -8.475045      5.008630      5.640463
  C      -8.880318      3.819768      5.101901
  C      -9.853579      3.839278      4.072450
  C     -10.255016      2.661309      3.479239
  C      -9.700297      1.427361      3.892363
  C      -8.757544      1.373705      4.897951
  C      -8.331652      2.567019      5.534998
  H      -3.017150      4.210646      8.214087
  H      -4.266007      3.577627      7.122938
  H      -2.760061      6.201142      6.570485
  H      -4.295294      6.062230      7.498772
  H      -7.488552      3.913594      2.491472
  H      -6.729303      7.128319     -0.687424
  H      -4.952462      8.849525     -1.062810
  H      -3.097024      9.105963      0.577182
  H      -2.981047      7.657732      2.583430
  H      -3.044997     -1.136520      4.921291
  H      -1.404227     -1.788591      4.830971
  H      -2.744501     -2.677556      3.022965
  H      -1.510123     -1.583604      2.303387
  H      -8.838303     -0.350251      1.202188
  H      -6.978665      3.236178     -0.914039
  H      -4.693113      4.247252     -1.037120
  H      -2.812448      3.199714      0.220478
  H      -3.174351      1.151563      1.546009
  H      -4.620119     -0.442825      6.590689
  H      -3.756725     -1.147552      7.963867
  H      -5.701867     -0.097408      8.865328
  H      -4.347769      1.018962      9.269302
  H      -7.184375      5.885821      6.984120
  H     -10.248138      4.807608      3.762086
  H     -10.993324      2.678445      2.675704
  H     -10.015419      0.505077      3.402512
  H      -8.323043      0.423990      5.199493
  N      -2.065106      2.978035      3.544295
  H      -1.322102      2.623163      2.937624
  H      -1.868177      3.961562      3.753940
  H      -2.919555      2.972088      2.980510
  N      -4.348067      1.576264      4.863569
  N      -5.426368      1.455287      4.480266
101
Coordinates from ORCA-job orca E -6762.589573421000
  N      -2.314566      3.508169      6.354301
  Mo     -2.524570      1.682772      5.515698
  N      -2.828509      0.542555      7.097871
  C      -1.690378      0.254814      7.971713
  C      -0.626493      1.333033      7.815474
  N      -0.432878      1.648589      6.373795
  C       0.080076      3.018471      6.152099
  C      -0.980789      4.040884      6.572268
  C       0.388121      0.615721      5.687685
  C      -0.164071      0.416123      4.272659
  N      -1.606039      0.277719      4.354342
  H      -0.802556      4.982848      6.016518
  H      -0.855466      4.298304      7.645661
  H       0.294507      3.104257      5.078079
  H       1.027361      3.189018      6.697835
  H       0.312379     -0.464775      3.806368
  H       0.115102      1.281121      3.643716
  H       0.271500     -0.324267      6.244377
  H       1.457270      0.893509      5.703213
  H      -1.992768      0.221880      9.035589
  H      -1.274201     -0.749380      7.744617
  H      -0.974698      2.249364      8.307552
  H       0.328849      1.031142      8.280810
  C      -3.333893      4.158050      7.147494
  C      -3.660781      5.594848      6.734533
  O      -4.473358      5.611262      5.532365
  C      -3.864890      5.786750      4.356069
  O      -2.669147      6.002753      4.194667
  C      -4.867398      5.699539      3.230567
  N      -5.811924      4.779572      3.363904
  C      -6.739459      4.699785      2.376542
  N      -6.838813      5.476787      1.314148
  C      -5.863474      6.416466      1.153427
  C      -5.906497      7.259723      0.015236
  C      -4.923198      8.205574     -0.181373
  C      -3.867474      8.351135      0.750779
  C      -3.799151      7.550305      1.871925
  C      -4.793448      6.563580      2.098122
  C      -2.111105     -1.083203      4.346979
  C      -2.397620     -1.637944      2.949077
  O      -3.391153     -0.855275      2.245234
  C      -4.684910     -1.052436      2.608250
  O      -5.035186     -1.867630      3.438540
  C      -5.640305     -0.181082      1.823674
  N      -6.890413     -0.636275      1.851888
  C      -7.820927      0.050029      1.154526
  N      -7.642583      1.133113      0.419027
  C      -6.368301      1.623352      0.375301
  C      -6.128237      2.786509     -0.397016
  C      -4.867263      3.339192     -0.453450
  C      -3.805057      2.746682      0.263323
  C      -4.003913      1.603318      1.013792
  C      -5.286304      0.999416      1.087338
  C      -4.029066     -0.188503      7.481321
  C      -4.931560      0.569122      8.453211
  O      -5.575099      1.690578      7.799691
  C      -6.762052      1.424453      7.205679
  O      -7.309835      0.334013      7.230111
  C      -7.348759      2.657953      6.569110
  N      -6.949554      3.825371      7.063749
  C      -7.534566      4.939960      6.562887
  N      -8.474794      5.010442      5.641013
  C      -8.879887      3.821916      5.101541
  C      -9.853193      3.842034      4.072139
  C     -10.254164      2.664468      3.477823
  C      -9.699009      1.430313      3.889790
  C      -8.756411      1.376029      4.895472
  C      -8.330957      2.568943      5.533620
  H      -3.016572      4.210617      8.213984
  H      -4.265541      3.577658      7.122929
  H      -2.759998      6.201393      6.570483
  H      -4.295022      6.062074      7.499059
  H      -7.486896      3.910503      2.490768
  H      -6.731455      7.128221     -0.686157
  H      -4.956288      8.851277     -1.060629
  H      -3.100953      9.108563      0.579275
  H      -2.983472      7.659389      2.584796
  H      -3.044791     -1.136305      4.921993
  H      -1.403803     -1.787901      4.832021
  H      -2.744268     -2.679218      3.025525
  H      -1.510151     -1.586105      2.304353
  H      -8.837871     -0.352034      1.202129
  H      -6.977047      3.234057     -0.914117
  H      -4.691402      4.245176     -1.035780
  H      -2.811551      3.198015      0.223296
  H      -3.174484      1.150098      1.549367
  H      -4.620082     -0.442797      6.589537
  H      -3.757073     -1.147444      7.962990
  H      -5.702634     -0.097358      8.863544
  H      -4.348549      1.018689      9.268456
  H      -7.184142      5.886787      6.985248
  H     -10.247993      4.810519      3.762571
  H     -10.992417      2.682071      2.674249
  H     -10.013748      0.508410      3.398986
  H      -8.321664      0.426179      5.196242
  N      -2.064645      2.978445      3.544005
  H      -1.321911      2.623043      2.937327
  H      -1.867036      3.961842      3.753596
  H      -2.919154      2.973154      2.980302
  N      -4.348140      1.576680      4.863154
  N      -5.426375      1.455587      4.479702
