99
Coordinates from ORCA-job orca E -6258.801564790935
  N      -2.928222      1.379318      5.201714
  Mo     -3.630396      3.296959      5.137319
  N      -4.492193      3.008829      6.877966
  C      -3.634476      3.083006      8.037236
  C      -2.247403      2.540945      7.672290
  N      -1.780055      3.164060      6.424840
  C      -0.797404      2.309984      5.742926
  C      -1.527011      1.160572      5.002006
  C      -1.233668      4.503718      6.679727
  C      -1.758416      5.439072      5.579817
  N      -3.172700      5.179307      5.434453
  H      -1.266311      1.177457      3.926396
  H      -1.219887      0.181470      5.399143
  H      -0.268892      2.923073      5.009744
  H      -0.068111      1.918551      6.462951
  H      -1.547402      6.479625      5.846937
  H      -1.243448      5.218286      4.633907
  H      -1.613042      4.867251      7.637801
  H      -0.139736      4.493431      6.716544
  H      -4.031331      2.488110      8.873212
  H      -3.556607      4.127698      8.384654
  H      -2.345955      1.468242      7.493683
  H      -1.531643      2.709507      8.485964
  C      -3.891287      1.054162      4.248425
  C      -4.836937     -0.105577      4.585924
  C      -6.243225      0.143237      4.011398
  C      -6.194205      0.539444      2.562611
  N      -6.106885      1.857180      2.325421
  C      -6.033686      2.247017      1.051610
  N      -6.051730      1.500363     -0.013726
  C      -6.143547      0.154704      0.183251
  C      -6.162621     -0.697081     -0.927703
  C      -6.237351     -2.060689     -0.749632
  C      -6.291281     -2.604171      0.536146
  C      -6.277347     -1.792440      1.644928
  C      -6.208987     -0.392132      1.500359
  C      -4.019552      6.276738      5.832615
  C      -3.948816      7.528888      4.934286
  C      -4.233926      7.228957      3.463962
  C      -5.646525      6.792298      3.193062
  N      -6.525486      6.840466      4.200428
  C      -7.736170      6.349381      3.976315
  N      -8.201950      5.814045      2.877078
  C      -7.370447      5.835281      1.798664
  C      -7.839058      5.366853      0.564178
  C      -7.021022      5.405627     -0.545653
  C      -5.718170      5.894240     -0.445582
  C      -5.227135      6.348172      0.758306
  C      -6.041546      6.338504      1.905754
  C      -5.858323      2.699293      7.184936
  C      -6.706407      3.930605      7.568748
  C      -8.204210      3.626828      7.588842
  C      -8.808837      3.366599      6.234852
  N      -8.025175      3.429362      5.172759
  C      -8.553600      3.165386      3.967932
  N      -9.776915      2.809653      3.716194
  C     -10.632285      2.764724      4.772026
  C     -11.979099      2.426569      4.550929
  C     -12.857811      2.384806      5.602646
  C     -12.425863      2.673651      6.904466
  C     -11.117751      2.998952      7.151994
  C     -10.187589      3.052121      6.094308
  H      -3.496317      0.935154      3.214831
  H      -4.559395      1.981369      4.301196
  H      -4.903881     -0.201561      5.672773
  H      -4.431879     -1.035560      4.180034
  H      -6.859580     -0.746993      4.140094
  H      -6.714152      0.965079      4.560965
  H      -5.951870      3.317164      0.893592
  H      -6.115635     -0.251291     -1.908184
  H      -6.253272     -2.714570     -1.607207
  H      -6.345677     -3.674706      0.659663
  H      -6.319579     -2.225565      2.631996
  H      -5.051322      5.922164      5.820638
  H      -3.772203      6.597108      6.859951
  H      -2.960781      7.985895      5.003373
  H      -4.686084      8.243650      5.300288
  H      -4.026411      8.124434      2.869749
  H      -3.550863      6.443053      3.116649
  H      -8.421830      6.392941      4.816702
  H      -8.848888      4.989618      0.512508
  H      -7.388352      5.050413     -1.495564
  H      -5.089060      5.914683     -1.321953
  H      -4.218359      6.726028      0.821906
  H      -5.922675      1.967199      8.008017
  H      -6.313613      2.251542      6.298648
  H      -6.403608      4.286085      8.554862
  H      -6.512049      4.727167      6.846977
  H      -8.393666      2.756195      8.223492
  H      -8.732139      4.475620      8.033255
  H      -7.878638      3.223101      3.135432
  H     -12.284991      2.214431      3.538632
  H     -13.891980      2.130547      5.430016
  H     -13.133911      2.638364      7.717598
  H     -10.793684      3.222276      8.156017
  N      -2.347890      3.433698      3.442214
  N      -1.595528      3.513913      2.447805
  H      -0.586848      3.391479      2.538059
  H      -1.968788      3.704095      1.517710
99
Coordinates from ORCA-job orca E -6258.820745961210
  N      -2.913577      1.364933      5.219907
  Mo     -3.599164      3.294868      5.149353
  N      -4.474855      3.034823      6.889736
  C      -3.611755      3.121400      8.060216
  C      -2.236266      2.550456      7.707934
  N      -1.755103      3.155587      6.439619
  C      -0.773283      2.280745      5.759020
  C      -1.510715      1.135124      5.021370
  C      -1.194257      4.508914      6.681193
  C      -1.700289      5.443318      5.575840
  N      -3.122239      5.182640      5.440201
  H      -1.243069      1.146272      3.946951
  H      -1.215048      0.151984      5.424945
  H      -0.235829      2.889729      5.024929
  H      -0.047560      1.892411      6.489670
  H      -1.485815      6.487140      5.844510
  H      -1.178715      5.223949      4.630835
  H      -1.576859      4.879435      7.639848
  H      -0.096416      4.483651      6.727544
  H      -4.019563      2.543069      8.905206
  H      -3.518762      4.172392      8.398742
  H      -2.345881      1.473794      7.544785
  H      -1.512981      2.722788      8.520193
  C      -3.891802      1.040856      4.262702
  C      -4.857059     -0.103796      4.606613
  C      -6.264500      0.160343      4.027665
  C      -6.209412      0.561347      2.578426
  N      -6.098976      1.873958      2.341216
  C      -6.006179      2.268612      1.053940
  N      -6.028438      1.512986     -0.019890
  C      -6.146654      0.167161      0.185827
  C      -6.172796     -0.698585     -0.926108
  C      -6.272857     -2.062408     -0.737344
  C      -6.346733     -2.601211      0.561621
  C      -6.327084     -1.778631      1.667880
  C      -6.232585     -0.374919      1.511094
  C      -3.992669      6.264989      5.858012
  C      -3.945724      7.515036      4.956509
  C      -4.237707      7.234749      3.478211
  C      -5.648782      6.794967      3.176168
  N      -6.545002      6.812292      4.163412
  C      -7.772278      6.327563      3.900604
  N      -8.217458      5.823599      2.769144
  C      -7.355992      5.873929      1.711641
  C      -7.796850      5.438263      0.444685
  C      -6.950588      5.510938     -0.644796
  C      -5.640980      6.004349     -0.499308
  C      -5.178611      6.424261      0.732546
  C      -6.023001      6.374702      1.865366
  C      -5.856726      2.728529      7.182556
  C      -6.717176      3.957053      7.542981
  C      -8.212930      3.632917      7.563040
  C      -8.829985      3.346497      6.213771
  N      -8.065091      3.415937      5.134141
  C      -8.620338      3.129040      3.931970
  N      -9.854000      2.745675      3.705549
  C     -10.684110      2.692825      4.787731
  C     -12.036297      2.325515      4.603520
  C     -12.891595      2.277325      5.682291
  C     -12.430474      2.589072      6.978168
  C     -11.116168      2.943410      7.188769
  C     -10.211268      3.003239      6.101943
  H      -3.505501      0.921703      3.231738
  H      -4.568866      1.975873      4.305181
  H      -4.926524     -0.197400      5.698106
  H      -4.453785     -1.041767      4.202603
  H      -6.894854     -0.727019      4.159401
  H      -6.726983      0.990543      4.577676
  H      -5.905007      3.344931      0.895669
  H      -6.110430     -0.258348     -1.918933
  H      -6.294220     -2.728009     -1.598145
  H      -6.422092     -3.679041      0.693362
  H      -6.386150     -2.207815      2.666143
  H      -5.024898      5.895678      5.858359
  H      -3.744279      6.585189      6.889530
  H      -2.955945      7.985502      5.025245
  H      -4.689189      8.223447      5.340675
  H      -4.032029      8.146394      2.896165
  H      -3.546059      6.459794      3.111957
  H      -8.478610      6.345264      4.735343
  H      -8.812977      5.058952      0.356625
  H      -7.297639      5.180692     -1.621884
  H      -4.986420      6.055180     -1.367551
  H      -4.166494      6.811092      0.830458
  H      -5.925404      2.001469      8.014861
  H      -6.303705      2.265785      6.293130
  H      -6.422346      4.330672      8.532836
  H      -6.524582      4.750488      6.810198
  H      -8.392124      2.763845      8.215090
  H      -8.757376      4.480282      8.005905
  H      -7.953654      3.204791      3.074636
  H     -12.367375      2.095638      3.592829
  H     -13.934000      1.999504      5.536762
  H     -13.122601      2.548300      7.817252
  H     -10.768739      3.184434      8.191379
  N      -2.369403      3.414674      3.442461
  N      -1.636681      3.484173      2.424270
  H      -0.619642      3.309699      2.475955
  H      -2.021007      3.718313      1.496920
99
Coordinates from ORCA-job orca E -6258.832942003122
  N      -2.916193      1.352918      5.231217
  Mo     -3.567686      3.299559      5.146214
  N      -4.470406      3.081679      6.881781
  C      -3.610791      3.178921      8.064526
  C      -2.250203      2.568824      7.734461
  N      -1.744808      3.147116      6.450870
  C      -0.767537      2.245971      5.780922
  C      -1.513327      1.106984      5.042881
  C      -1.160726      4.505488      6.681465
  C      -1.636198      5.440939      5.568080
  N      -3.061522      5.191016      5.434886
  H      -1.231652      1.111639      3.971689
  H      -1.236577      0.120208      5.454202
  H      -0.214581      2.848384      5.050711
  H      -0.053745      1.859898      6.526354
  H      -1.413007      6.484686      5.839007
  H      -1.108481      5.220154      4.625354
  H      -1.548643      4.883555      7.636796
  H      -0.062321      4.452521      6.745246
  H      -4.039895      2.623608      8.915728
  H      -3.499329      4.233360      8.389977
  H      -2.375063      1.490533      7.585881
  H      -1.522850      2.741605      8.545547
  C      -3.899774      1.035763      4.261446
  C      -4.891659     -0.087917      4.600944
  C      -6.287601      0.196929      3.996756
  C      -6.201293      0.598804      2.547445
  N      -6.061436      1.904027      2.308851
  C      -5.930305      2.297128      1.013330
  N      -5.941879      1.533612     -0.063424
  C      -6.091948      0.190965      0.151068
  C      -6.110528     -0.687744     -0.959045
  C      -6.241762     -2.048365     -0.761586
  C      -6.356556     -2.579971      0.545457
  C      -6.345769     -1.746997      1.646514
  C      -6.219329     -0.343479      1.478483
  C      -3.950098      6.258148      5.871175
  C      -3.923442      7.502779      4.966880
  C      -4.231590      7.223034      3.493209
  C      -5.643977      6.773319      3.207911
  N      -6.521355      6.778888      4.204632
  C      -7.765754      6.292072      3.954471
  N      -8.224275      5.793597      2.822040
  C      -7.369703      5.848284      1.756751
  C      -7.821310      5.408536      0.487871
  C      -6.985526      5.486807     -0.609240
  C      -5.671481      5.994823     -0.476992
  C      -5.200835      6.417263      0.752536
  C      -6.035259      6.354675      1.897163
  C      -5.865914      2.787614      7.159335
  C      -6.729218      4.019382      7.487825
  C      -8.221648      3.682593      7.515597
  C      -8.844505      3.353959      6.177467
  N      -8.088239      3.404838      5.089688
  C      -8.661139      3.079339      3.896211
  N      -9.899628      2.676264      3.689555
  C     -10.713639      2.641088      4.788312
  C     -12.067821      2.252802      4.633289
  C     -12.909255      2.222443      5.727816
  C     -12.432375      2.573818      7.013548
  C     -11.115374      2.949479      7.194497
  C     -10.226446      2.990906      6.089696
  H      -3.511168      0.915708      3.235664
  H      -4.585194      1.978668      4.282666
  H      -4.978354     -0.177545      5.693433
  H      -4.490534     -1.033992      4.206256
  H      -6.935210     -0.681570      4.123567
  H      -6.745810      1.037343      4.537774
  H      -5.806792      3.373936      0.854994
  H      -6.017192     -0.256426     -1.957805
  H      -6.257135     -2.722881     -1.620711
  H      -6.457060     -3.658866      0.683017
  H      -6.437235     -2.168533      2.649658
  H      -4.980706      5.876621      5.881329
  H      -3.702422      6.576229      6.905546
  H      -2.935170      7.985657      5.027233
  H      -4.669430      8.206500      5.365107
  H      -4.039346      8.138717      2.907003
  H      -3.538463      6.454645      3.110901
  H      -8.460418      6.302592      4.801461
  H      -8.839426      5.022014      0.409174
  H      -7.340624      5.153881     -1.586975
  H      -5.025010      6.054672     -1.355551
  H      -4.190124      6.819675      0.840076
  H      -5.940930      2.072289      8.003353
  H      -6.304582      2.307072      6.271646
  H      -6.440841      4.419233      8.473076
  H      -6.536073      4.799281      6.737457
  H      -8.395602      2.828174      8.193858
  H      -8.777334      4.534216      7.943571
  H      -7.998465      3.145323      3.028423
  H     -12.413131      1.992208      3.630579
  H     -13.954064      1.928094      5.604021
  H     -13.113874      2.546825      7.866831
  H     -10.756139      3.220701      8.189323
  N      -2.399223      3.396979      3.449900
  N      -1.683706      3.444961      2.411022
  H      -0.673960      3.210185      2.426164
  H      -2.066531      3.723049      1.492705
99
Coordinates from ORCA-job orca E -6258.843692522003
  N      -2.923849      1.336348      5.242551
  Mo     -3.547584      3.296001      5.142982
  N      -4.465044      3.118099      6.880370
  C      -3.604594      3.229765      8.066957
  C      -2.257570      2.589140      7.749931
  N      -1.739813      3.141462      6.452080
  C      -0.769029      2.220174      5.788917
  C      -1.521774      1.083188      5.055677
  C      -1.136634      4.502472      6.670429
  C      -1.595785      5.435895      5.552915
  N      -3.020903      5.194408      5.427566
  H      -1.233546      1.082360      3.985808
  H      -1.254488      0.095876      5.472815
  H      -0.208646      2.818367      5.059807
  H      -0.061171      1.839667      6.543196
  H      -1.365896      6.479400      5.823894
  H      -1.068753      5.214437      4.608818
  H      -1.524534      4.886299      7.623817
  H      -0.039156      4.425068      6.744964
  H      -4.046876      2.695317      8.925348
  H      -3.479384      4.286639      8.378356
  H      -2.393320      1.509941      7.615128
  H      -1.522314      2.764920      8.554091
  C      -3.912303      1.021009      4.267264
  C      -4.918328     -0.089892      4.610322
  C      -6.310506      0.198019      3.995899
  C      -6.214472      0.598351      2.546366
  N      -6.066444      1.898672      2.305446
  C      -5.917036      2.288955      1.005036
  N      -5.919493      1.519492     -0.070805
  C      -6.080857      0.178930      0.151210
  C      -6.092417     -0.709246     -0.956094
  C      -6.233922     -2.067159     -0.751878
  C      -6.367305     -2.593407      0.559825
  C      -6.364010     -1.752629      1.655474
  C      -6.226888     -0.349792      1.478123
  C      -3.924687      6.242967      5.884022
  C      -3.914197      7.489865      4.985447
  C      -4.226856      7.227647      3.510508
  C      -5.638301      6.778053      3.213627
  N      -6.517148      6.760848      4.203815
  C      -7.770463      6.283033      3.933762
  N      -8.222259      5.813010      2.786409
  C      -7.356987      5.886596      1.729978
  C      -7.799976      5.471882      0.445796
  C      -6.956965      5.572758     -0.642654
  C      -5.640955      6.082349     -0.491374
  C      -5.180742      6.478773      0.750851
  C      -6.023876      6.386999      1.889508
  C      -5.866994      2.828397      7.151882
  C      -6.736299      4.058053      7.459061
  C      -8.223726      3.703751      7.496963
  C      -8.849358      3.348648      6.166991
  N      -8.099684      3.404378      5.075302
  C      -8.681497      3.062414      3.885715
  N      -9.917079      2.638053      3.687712
  C     -10.719185      2.595070      4.797285
  C     -12.069647      2.182768      4.657489
  C     -12.901377      2.145797      5.760662
  C     -12.418940      2.514839      7.041948
  C     -11.105115      2.914348      7.207128
  C     -10.227613      2.961793      6.092265
  H      -3.524477      0.901224      3.243106
  H      -4.610535      1.964907      4.266933
  H      -5.011680     -0.173973      5.703142
  H      -4.515941     -1.040373      4.224003
  H      -6.962249     -0.677657      4.125886
  H      -6.768091      1.043173      4.531428
  H      -5.786631      3.364973      0.845983
  H      -5.985380     -0.284849     -1.957982
  H      -6.243835     -2.747983     -1.607888
  H      -6.476281     -3.672165      0.701330
  H      -6.470183     -2.167846      2.661028
  H      -4.950561      5.848501      5.899966
  H      -3.679625      6.554946      6.922005
  H      -2.928825      7.981638      5.048184
  H      -4.661792      8.186600      5.397490
  H      -4.038275      8.152372      2.935103
  H      -3.530768      6.469840      3.111077
  H      -8.468112      6.276692      4.778198
  H      -8.818927      5.087171      0.352431
  H      -7.304343      5.259776     -1.631199
  H      -4.989199      6.163669     -1.365803
  H      -4.172334      6.886641      0.853687
  H      -5.940240      2.122488      8.004668
  H      -6.298732      2.331413      6.268510
  H      -6.451642      4.477482      8.438690
  H      -6.549965      4.829357      6.696784
  H      -8.387213      2.857950      8.190885
  H      -8.792041      4.551598      7.918979
  H      -8.022607      3.143168      3.013552
  H     -12.421399      1.909203      3.659021
  H     -13.943438      1.832829      5.648195
  H     -13.092765      2.482582      7.902676
  H     -10.742317      3.198504      8.198314
  N      -2.464355      3.381887      3.468596
  N      -1.770849      3.412962      2.404527
  H      -0.775959      3.126864      2.381252
  H      -2.156327      3.729505      1.501559
99
Coordinates from ORCA-job orca E -6258.853810091110
  N      -2.937460      1.323582      5.248783
  Mo     -3.525794      3.297800      5.130175
  N      -4.464646      3.160270      6.868085
  C      -3.608858      3.284748      8.058346
  C      -2.274253      2.612990      7.757843
  N      -1.739182      3.137792      6.451158
  C      -0.776261      2.195509      5.799745
  C      -1.536008      1.061368      5.069067
  C      -1.114153      4.496143      6.661555
  C      -1.555116      5.429274      5.539830
  N      -2.978544      5.203304      5.416988
  H      -1.237778      1.053924      4.001459
  H      -1.279931      0.074054      5.492788
  H      -0.204751      2.787468      5.073748
  H      -0.077845      1.817508      6.563662
  H      -1.315281      6.470752      5.811981
  H      -1.028580      5.204784      4.595121
  H      -1.502762      4.887337      7.611312
  H      -0.019497      4.391612      6.749479
  H      -4.066983      2.771207      8.921429
  H      -3.470291      4.342987      8.356460
  H      -2.423772      1.534133      7.635683
  H      -1.533879      2.789218      8.557148
  C      -3.922491      1.013652      4.264476
  C      -4.944139     -0.084197      4.603993
  C      -6.327624      0.207997      3.972303
  C      -6.216226      0.606661      2.523127
  N      -6.060112      1.904205      2.281514
  C      -5.891835      2.292133      0.980674
  N      -5.882448      1.519909     -0.092479
  C      -6.053210      0.180880      0.132309
  C      -6.054291     -0.711561     -0.973229
  C      -6.204886     -2.067055     -0.767267
  C      -6.358958     -2.590595      0.544462
  C      -6.366476     -1.746214      1.636699
  C      -6.219782     -0.344907      1.455649
  C      -3.889304      6.237687      5.891541
  C      -3.893515      7.486811      4.997797
  C      -4.216894      7.229365      3.526770
  C      -5.628382      6.773348      3.240149
  N      -6.496883      6.744925      4.236674
  C      -7.755049      6.266054      3.970977
  N      -8.211270      5.802082      2.825155
  C      -7.350836      5.880012      1.764318
  C      -7.798912      5.462336      0.481688
  C      -6.963909      5.568808     -0.610906
  C      -5.650412      6.090902     -0.468411
  C      -5.186887      6.489471      0.771151
  C      -6.021670      6.385824      1.915251
  C      -5.870901      2.876125      7.131011
  C      -6.743962      4.106815      7.412467
  C      -8.227986      3.741783      7.462129
  C      -8.858748      3.354909      6.143748
  N      -8.116692      3.400332      5.046767
  C      -8.706901      3.033432      3.866829
  N      -9.938630      2.593916      3.683578
  C     -10.729956      2.558722      4.802296
  C     -12.076599      2.128647      4.680569
  C     -12.898683      2.099827      5.790822
  C     -12.410624      2.495162      7.062317
  C     -11.100124      2.912514      7.209266
  C     -10.233523      2.951345      6.086173
  H      -3.528907      0.893519      3.242735
  H      -4.629523      1.957133      4.237770
  H      -5.050137     -0.162301      5.695799
  H      -4.541120     -1.039108      4.228314
  H      -6.983974     -0.663943      4.101676
  H      -6.786357      1.057525      4.500357
  H      -5.756992      3.367696      0.822526
  H      -5.932108     -0.291033     -1.974925
  H      -6.206761     -2.750795     -1.620904
  H      -6.475326     -3.668364      0.685777
  H      -6.488903     -2.157612      2.641712
  H      -4.910717      5.833537      5.912143
  H      -3.645816      6.545567      6.932002
  H      -2.911453      7.986062      5.057055
  H      -4.640524      8.178588      5.420750
  H      -4.037671      8.156246      2.951468
  H      -3.520446      6.478520      3.115073
  H      -8.444164      6.254000      4.821372
  H      -8.816013      5.071312      0.395408
  H      -7.313904      5.254152     -1.597919
  H      -5.006743      6.180239     -1.347777
  H      -4.183561      6.910827      0.867765
  H      -5.946051      2.182328      7.993540
  H      -6.294672      2.362035      6.253078
  H      -6.461968      4.547720      8.383502
  H      -6.562456      4.865283      6.636311
  H      -8.383681      2.910654      8.175694
  H      -8.803981      4.590271      7.872857
  H      -8.052877      3.110767      2.990817
  H     -12.434424      1.834879      3.690161
  H     -13.937792      1.773122      5.692153
  H     -13.076818      2.469082      7.928892
  H     -10.733740      3.216377      8.193016
  N      -2.524795      3.372390      3.502503
  N      -1.840366      3.387711      2.418607
  H      -0.866742      3.053085      2.373017
  H      -2.219620      3.737412      1.530492
99
Coordinates from ORCA-job orca E -6258.861500024296
  N      -2.960390      1.309511      5.258498
  Mo     -3.514573      3.297277      5.112937
  N      -4.466790      3.194560      6.858990
  C      -3.612627      3.333925      8.045321
  C      -2.287275      2.638781      7.753924
  N      -1.742619      3.136661      6.440232
  C      -0.790024      2.175197      5.801945
  C      -1.559202      1.040216      5.081413
  C      -1.098129      4.489182      6.640543
  C      -1.532707      5.419887      5.516578
  N      -2.955464      5.211480      5.399242
  H      -1.256803      1.021421      4.014675
  H      -1.308971      0.055860      5.514007
  H      -0.210387      2.757470      5.074751
  H      -0.097889      1.800173      6.572180
  H      -1.282440      6.459263      5.786720
  H      -1.011034      5.189313      4.569975
  H      -1.482179      4.889588      7.587538
  H      -0.006761      4.362054      6.734861
  H      -4.078183      2.837573      8.914484
  H      -3.464318      4.393496      8.330373
  H      -2.449962      1.560779      7.645131
  H      -1.539617      2.816815      8.545174
  C      -3.938735      1.001554      4.270825
  C      -4.970053     -0.086798      4.613106
  C      -6.347537      0.201480      3.969850
  C      -6.229436      0.593186      2.520020
  N      -6.072085      1.890346      2.274660
  C      -5.892432      2.272260      0.976147
  N      -5.872035      1.497267     -0.090982
  C      -6.045238      0.159186      0.136046
  C      -6.035887     -0.735379     -0.965869
  C      -6.188546     -2.089402     -0.757701
  C      -6.355354     -2.608818      0.552104
  C      -6.373334     -1.761680      1.640909
  C      -6.224459     -0.362391      1.456892
  C      -3.859033      6.238839      5.894517
  C      -3.869409      7.493304      5.006853
  C      -4.203782      7.243588      3.537985
  C      -5.617669      6.795668      3.252118
  N      -6.486810      6.764784      4.248869
  C      -7.747512      6.302714      3.975982
  N      -8.205416      5.853190      2.828320
  C      -7.342454      5.926363      1.769395
  C      -7.791626      5.516433      0.486373
  C      -6.955295      5.621118     -0.604545
  C      -5.641400      6.136154     -0.459497
  C      -5.177233      6.526825      0.781430
  C      -6.011972      6.420006      1.923773
  C      -5.870015      2.904262      7.121242
  C      -6.751651      4.130306      7.391964
  C      -8.230815      3.750398      7.454147
  C      -8.860594      3.349315      6.140961
  N      -8.121689      3.408034      5.043436
  C      -8.708316      3.040448      3.864159
  N      -9.930857      2.585708      3.681430
  C     -10.719185      2.530751      4.801606
  C     -12.057483      2.080111      4.679598
  C     -12.876878      2.033492      5.789671
  C     -12.394615      2.431229      7.060684
  C     -11.092108      2.868814      7.207857
  C     -10.228384      2.925284      6.085108
  H      -3.540723      0.876788      3.249839
  H      -4.649827      1.942421      4.216377
  H      -5.083696     -0.154352      5.703990
  H      -4.566920     -1.046248      4.250881
  H      -7.004350     -0.668357      4.103204
  H      -6.808148      1.054648      4.489879
  H      -5.757843      3.346588      0.816243
  H      -5.904472     -0.318150     -1.966274
  H      -6.182555     -2.775353     -1.607795
  H      -6.473398     -3.684940      0.693816
  H      -6.505938     -2.169224      2.644734
  H      -4.878038      5.832898      5.920974
  H      -3.611060      6.543207      6.935405
  H      -2.887076      7.990366      5.062065
  H      -4.608387      8.186295      5.439988
  H      -4.022702      8.170252      2.964450
  H      -3.512382      6.493475      3.118231
  H      -8.435831      6.293340      4.825620
  H      -8.810316      5.133328      0.398768
  H      -7.304623      5.312639     -1.592263
  H      -4.999002      6.227135     -1.337882
  H      -4.174678      6.946724      0.879958
  H      -5.941188      2.217372      7.989086
  H      -6.287645      2.377193      6.248263
  H      -6.468878      4.583959      8.355774
  H      -6.582405      4.882709      6.608312
  H      -8.374724      2.925079      8.175518
  H      -8.815389      4.592923      7.863156
  H      -8.057569      3.137287      2.989673
  H     -12.412042      1.785278      3.689834
  H     -13.909479      1.691039      5.691038
  H     -13.058692      2.391053      7.926579
  H     -10.730756      3.173926      8.191528
  N      -2.586603      3.361430      3.528559
  N      -1.907379      3.364752      2.426411
  H      -0.960364      2.981273      2.367548
  H      -2.281708      3.747523      1.556597
99
Coordinates from ORCA-job orca E -6258.867117480450
  N      -2.990746      1.304948      5.274102
  Mo     -3.499396      3.305880      5.088654
  N      -4.472875      3.237317      6.835504
  C      -3.627386      3.387467      8.022029
  C      -2.309685      2.667309      7.748477
  N      -1.746553      3.135467      6.433103
  C      -0.806711      2.148592      5.819325
  C      -1.590308      1.016309      5.109681
  C      -1.078148      4.476633      6.623270
  C      -1.500331      5.405322      5.493168
  N      -2.926188      5.220309      5.374968
  H      -1.280714      0.977894      4.045379
  H      -1.354447      0.035136      5.556419
  H      -0.209474      2.710247      5.090443
  H      -0.128294      1.772394      6.600728
  H      -1.235842      6.442056      5.758607
  H      -0.981347      5.161964      4.548369
  H      -1.457880      4.891393      7.565474
  H       0.009308      4.328327      6.724281
  H      -4.104217      2.908547      8.894925
  H      -3.467825      4.448483      8.294337
  H      -2.491287      1.591307      7.653557
  H      -1.561184      2.843916      8.538702
  C      -3.954116      1.003134      4.276292
  C      -5.004182     -0.068923      4.613725
  C      -6.367102      0.225319      3.945230
  C      -6.224692      0.608054      2.495705
  N      -6.055611      1.905054      2.248150
  C      -5.852066      2.280286      0.954757
  N      -5.815364      1.502573     -0.107289
  C      -6.000033      0.165944      0.118702
  C      -5.975211     -0.729449     -0.979567
  C      -6.140016     -2.082245     -0.771349
  C      -6.334867     -2.596221      0.534233
  C      -6.368594     -1.747153      1.620756
  C      -6.207287     -0.350258      1.437362
  C      -3.806574      6.252608      5.893291
  C      -3.824637      7.509060      5.007036
  C      -4.188888      7.249545      3.547690
  C      -5.608605      6.803675      3.295385
  N      -6.459282      6.787729      4.310661
  C      -7.724156      6.334364      4.066914
  N      -8.207006      5.873333      2.935183
  C      -7.362896      5.919181      1.859794
  C      -7.835332      5.483542      0.596056
  C      -7.017259      5.560725     -0.511373
  C      -5.702564      6.075337     -0.400688
  C      -5.214906      6.491274      0.822719
  C      -6.027807      6.409083      1.981302
  C      -5.872505      2.937467      7.089414
  C      -6.763345      4.161615      7.342361
  C      -8.240357      3.775158      7.416177
  C      -8.872223      3.354323      6.110411
  N      -8.139287      3.410417      5.008624
  C      -8.725895      3.032648      3.835351
  N      -9.943491      2.567621      3.662157
  C     -10.726947      2.509637      4.784823
  C     -12.059628      2.044395      4.670507
  C     -12.873730      1.996004      5.783494
  C     -12.391219      2.406405      7.048648
  C     -11.093913      2.858446      7.188649
  C     -10.235046      2.916911      6.063405
  H      -3.543701      0.864572      3.260362
  H      -4.652359      1.949412      4.190993
  H      -5.135566     -0.122099      5.702899
  H      -4.606630     -1.037058      4.270733
  H      -7.033002     -0.637552      4.074521
  H      -6.828493      1.085356      4.452517
  H      -5.710961      3.353526      0.793705
  H      -5.822910     -0.315310     -1.977210
  H      -6.122268     -2.769815     -1.618710
  H      -6.462481     -3.670394      0.675530
  H      -6.523302     -2.151001      2.621978
  H      -4.827144      5.853688      5.933313
  H      -3.540817      6.554992      6.930238
  H      -2.839021      7.999704      5.040649
  H      -4.548329      8.209027      5.452334
  H      -4.013848      8.167908      2.960373
  H      -3.509114      6.492330      3.122966
  H      -8.396329      6.343211      4.929274
  H      -8.855958      5.102996      0.534819
  H      -7.383873      5.231921     -1.485134
  H      -5.077058      6.147003     -1.291838
  H      -4.211520      6.912918      0.893556
  H      -5.947398      2.258403      7.962920
  H      -6.279537      2.398538      6.219175
  H      -6.479584      4.631707      8.297095
  H      -6.602532      4.902789      6.546995
  H      -8.377277      2.960735      8.149926
  H      -8.827731      4.618913      7.816894
  H      -8.080885      3.127366      2.958081
  H     -12.414435      1.740089      3.684755
  H     -13.902131      1.642346      5.691133
  H     -13.051189      2.364564      7.916454
  H     -10.732273      3.172986      8.168298
  N      -2.585232      3.351177      3.510985
  N      -1.902698      3.339461      2.404845
  H      -0.988212      2.891055      2.343354
  H      -2.258495      3.765405      1.550047
99
Coordinates from ORCA-job orca E -6258.871860515486
  N      -3.017525      1.296030      5.295418
  Mo     -3.497066      3.304382      5.069636
  N      -4.478706      3.261601      6.822705
  C      -3.634370      3.424422      8.004458
  C      -2.321256      2.690617      7.740274
  N      -1.752935      3.136703      6.420608
  C      -0.821834      2.133172      5.825263
  C      -1.616603      0.998803      5.132525
  C      -1.070893      4.471462      6.597710
  C      -1.495843      5.393929      5.463929
  N      -2.925505      5.221190      5.351310
  H      -1.310239      0.942706      4.067989
  H      -1.383151      0.022658      5.591139
  H      -0.216895      2.677706      5.090045
  H      -0.148418      1.760389      6.612579
  H      -1.223426      6.430840      5.720016
  H      -0.984324      5.138859      4.518877
  H      -1.442974      4.897126      7.538174
  H       0.014756      4.313693      6.696352
  H      -4.112332      2.958703      8.883913
  H      -3.468164      4.487328      8.264155
  H      -2.515455      1.615867      7.658972
  H      -1.568870      2.869675      8.525953
  C      -3.969625      0.991298      4.294136
  C      -5.025437     -0.074892      4.634213
  C      -6.383250      0.212934      3.954671
  C      -6.234852      0.594286      2.506170
  N      -6.072518      1.894258      2.261630
  C      -5.863117      2.272227      0.972855
  N      -5.811874      1.497203     -0.089572
  C      -5.989773      0.158692      0.130534
  C      -5.950582     -0.732199     -0.968681
  C      -6.109669     -2.087065     -0.765062
  C      -6.312720     -2.604029      0.536182
  C      -6.360493     -1.758580      1.625087
  C      -6.204947     -0.360886      1.447626
  C      -3.784506      6.256149      5.894190
  C      -3.805197      7.518471      5.013054
  C      -4.182599      7.263744      3.555330
  C      -5.604356      6.828743      3.299525
  N      -6.462359      6.816488      4.310980
  C      -7.728172      6.384493      4.056229
  N      -8.211981      5.937009      2.919031
  C      -7.359973      5.969208      1.850236
  C      -7.827682      5.537974      0.584986
  C      -6.999600      5.603613     -0.516586
  C      -5.682214      6.103582     -0.396299
  C      -5.198016      6.515244      0.830199
  C      -6.018913      6.442057      1.982925
  C      -5.870187      2.941681      7.078000
  C      -6.771056      4.158855      7.333119
  C      -8.244604      3.763432      7.421577
  C      -8.879407      3.341633      6.118535
  N      -8.152067      3.414030      5.014490
  C      -8.739044      3.049705      3.839923
  N      -9.953425      2.578775      3.666918
  C     -10.731743      2.496629      4.790922
  C     -12.059528      2.020028      4.675843
  C     -12.868333      1.949844      5.791352
  C     -12.384776      2.349358      7.058515
  C     -11.091925      2.812291      7.199596
  C     -10.237676      2.892490      6.072649
  H      -3.552268      0.840416      3.281492
  H      -4.659777      1.938124      4.181798
  H      -5.164412     -0.115641      5.722767
  H      -4.627596     -1.047702      4.306315
  H      -7.048403     -0.650475      4.082760
  H      -6.849544      1.072951      4.456787
  H      -5.729400      3.346753      0.814605
  H      -5.792771     -0.314564     -1.963393
  H      -6.081107     -2.772025     -1.613527
  H      -6.435994     -3.678736      0.673753
  H      -6.521944     -2.165443      2.623564
  H      -4.806654      5.863675      5.945618
  H      -3.501582      6.554228      6.927251
  H      -2.815747      8.000957      5.036209
  H      -4.515812      8.224016      5.468745
  H      -4.001372      8.180106      2.967537
  H      -3.508972      6.502558      3.128728
  H      -8.407007      6.400609      4.913598
  H      -8.851966      5.170136      0.516186
  H      -7.362085      5.277174     -1.492093
  H      -5.049923      6.168186     -1.282632
  H      -4.191495      6.927052      0.907044
  H      -5.939597      2.262520      7.951820
  H      -6.272482      2.397790      6.208866
  H      -6.480692      4.635427      8.282210
  H      -6.624424      4.897207      6.532572
  H      -8.371383      2.949473      8.156872
  H      -8.833559      4.603811      7.826186
  H      -8.100536      3.160476      2.960726
  H     -12.415018      1.725000      3.688101
  H     -13.893136      1.587516      5.698770
  H     -13.040690      2.290552      7.927834
  H     -10.729122      3.118267      8.181036
  N      -2.591591      3.335930      3.479128
  N      -1.914048      3.314204      2.370114
  H      -1.031473      2.808230      2.301028
  H      -2.258657      3.779312      1.531616
99
Coordinates from ORCA-job orca E -6258.875353181211
  N      -3.037042      1.292932      5.312845
  Mo     -3.480085      3.311604      5.048250
  N      -4.484067      3.296928      6.795359
  C      -3.646303      3.460403      7.981795
  C      -2.337565      2.708802      7.734648
  N      -1.751799      3.135534      6.412597
  C      -0.829261      2.109774      5.837832
  C      -1.637161      0.977724      5.156685
  C      -1.050907      4.464309      6.578502
  C      -1.467257      5.383972      5.438342
  N      -2.900959      5.226532      5.329497
  H      -1.329835      0.904549      4.092875
  H      -1.414896      0.003412      5.626541
  H      -0.210137      2.635133      5.098687
  H      -0.166757      1.736740      6.635234
  H      -1.182540      6.420374      5.685694
  H      -0.961654      5.115101      4.493909
  H      -1.417080      4.902017      7.516547
  H       0.033072      4.293118      6.677130
  H      -4.135609      3.008493      8.863679
  H      -3.468948      4.524296      8.232668
  H      -2.546420      1.635328      7.662075
  H      -1.587762      2.884807      8.523438
  C      -3.978968      0.991516      4.301437
  C      -5.052008     -0.060308      4.638058
  C      -6.397779      0.236574      3.936519
  C      -6.223021      0.615048      2.489350
  N      -6.049328      1.914189      2.245599
  C      -5.813607      2.289664      0.958937
  N      -5.743330      1.512416     -0.102606
  C      -5.932753      0.174988      0.116456
  C      -5.875214     -0.718007     -0.980952
  C      -6.047122     -2.072060     -0.777258
  C      -6.281781     -2.585410      0.522262
  C      -6.347434     -1.737823      1.609613
  C      -6.178798     -0.341121      1.432347
  C      -3.741637      6.263936      5.900453
  C      -3.774809      7.527262      5.020033
  C      -4.179551      7.264725      3.570437
  C      -5.605503      6.828480      3.344134
  N      -6.446361      6.830716      4.370072
  C      -7.719539      6.406116      4.140711
  N      -8.226411      5.950815      3.015825
  C      -7.389190      5.957770      1.934852
  C      -7.876911      5.505644      0.684536
  C      -7.062892      5.543628     -0.429029
  C      -5.740749      6.037009     -0.335793
  C      -5.236725      6.469011      0.875777
  C      -6.042098      6.423665      2.040607
  C      -5.876006      2.972025      7.038128
  C      -6.780071      4.189285      7.283139
  C      -8.252754      3.791955      7.379013
  C      -8.892370      3.355080      6.082030
  N      -8.172376      3.420946      4.972044
  C      -8.766303      3.044603      3.803685
  N      -9.980999      2.565905      3.643024
  C     -10.750811      2.486691      4.773442
  C     -12.076867      1.998034      4.672400
  C     -12.876769      1.930014      5.795519
  C     -12.385598      2.343945      7.056265
  C     -11.094067      2.818615      7.183700
  C     -10.248696      2.896484      6.048984
  H      -3.549475      0.825610      3.295314
  H      -4.655770      1.945343      4.161854
  H      -5.206909     -0.088039      5.725953
  H      -4.659711     -1.041840      4.326728
  H      -7.072394     -0.621331      4.056239
  H      -6.865500      1.101384      4.429602
  H      -5.672591      3.363745      0.801040
  H      -5.693835     -0.302943     -1.974471
  H      -6.004622     -2.758786     -1.624617
  H      -6.415414     -3.659451      0.660083
  H      -6.533318     -2.141903      2.606910
  H      -4.765780      5.877171      5.970611
  H      -3.434766      6.557623      6.928395
  H      -2.782286      8.005946      5.021694
  H      -4.474014      8.237207      5.488509
  H      -4.006766      8.175635      2.971090
  H      -3.513944      6.498786      3.138814
  H      -8.385793      6.438601      5.008014
  H      -8.904736      5.143490      0.636371
  H      -7.440505      5.199716     -1.392913
  H      -5.119834      6.080098     -1.231501
  H      -4.226001      6.874053      0.931195
  H      -5.952902      2.293765      7.912042
  H      -6.270643      2.426922      6.166271
  H      -6.487759      4.676858      8.226785
  H      -6.636384      4.919345      6.473696
  H      -8.375971      2.985322      8.123950
  H      -8.841676      4.635823      7.777021
  H      -8.134379      3.147056      2.918099
  H     -12.438203      1.691715      3.689208
  H     -13.900335      1.558017      5.713835
  H     -13.034554      2.286668      7.931792
  H     -10.724882      3.135314      8.160354
  N      -2.581473      3.317755      3.453027
  N      -1.912058      3.265217      2.338559
  H      -1.051478      2.696212      2.258519
  H      -2.247622      3.764694      1.510365
99
Coordinates from ORCA-job orca E -6258.878299626807
  N      -3.034536      1.287800      5.330655
  Mo     -3.462700      3.307531      5.027686
  N      -4.485427      3.307122      6.768070
  C      -3.651617      3.478802      7.956381
  C      -2.342708      2.729526      7.723865
  N      -1.749896      3.146011      6.401959
  C      -0.826033      2.115061      5.845634
  C      -1.632487      0.978359      5.174662
  C      -1.046777      4.473222      6.561911
  C      -1.468914      5.384369      5.419549
  N      -2.904291      5.226558      5.314833
  H      -1.329735      0.894044      4.111392
  H      -1.404138      0.010624      5.651432
  H      -0.203209      2.630484      5.105223
  H      -0.168013      1.751160      6.650190
  H      -1.184503      6.422100      5.658940
  H      -0.969267      5.109076      4.474733
  H      -1.409762      4.913691      7.499510
  H       0.034182      4.302277      6.659287
  H      -4.142101      3.035270      8.839093
  H      -3.473804      4.542371      8.200701
  H      -2.553138      1.658313      7.656746
  H      -1.595051      2.909507      8.514042
  C      -3.962433      0.976038      4.311813
  C      -5.030811     -0.077873      4.645949
  C      -6.375690      0.202398      3.940614
  C      -6.209922      0.585626      2.496489
  N      -6.057027      1.886781      2.259310
  C      -5.833612      2.267863      0.976574
  N      -5.756162      1.493910     -0.087217
  C      -5.926131      0.155018      0.124866
  C      -5.864478     -0.734265     -0.974242
  C      -6.020082     -2.089600     -0.776765
  C      -6.242024     -2.606986      0.517734
  C      -6.311168     -1.763190      1.607045
  C      -6.158596     -0.365707      1.436846
  C      -3.733460      6.256970      5.918661
  C      -3.776505      7.529033      5.049523
  C      -4.189349      7.272073      3.602693
  C      -5.614704      6.838452      3.377610
  N      -6.456576      6.844571      4.403516
  C      -7.736085      6.438664      4.169752
  N      -8.249796      5.995476      3.039232
  C      -7.406915      5.985644      1.961462
  C      -7.894951      5.532213      0.709744
  C      -7.073998      5.553348     -0.400996
  C      -5.745889      6.032190     -0.304129
  C      -5.241253      6.465167      0.909162
  C      -6.052125      6.435022      2.072691
  C      -5.872207      2.960730      6.999469
  C      -6.779489      4.171957      7.251943
  C      -8.252122      3.780510      7.355256
  C      -8.896996      3.354408      6.061447
  N      -8.181793      3.422519      4.948642
  C      -8.783434      3.063855      3.781833
  N     -10.002703      2.601370      3.624755
  C     -10.765688      2.516872      4.758942
  C     -12.093728      2.043219      4.663325
  C     -12.886871      1.972132      5.791302
  C     -12.386431      2.367839      7.051156
  C     -11.092736      2.827295      7.173280
  C     -10.254043      2.907745      6.033875
  H      -3.523675      0.804700      3.310558
  H      -4.639430      1.923687      4.142846
  H      -5.189760     -0.095959      5.732246
  H      -4.631561     -1.059258      4.346741
  H      -7.041047     -0.661795      4.058385
  H      -6.852088      1.060273      4.435100
  H      -5.711523      3.343934      0.822992
  H      -5.694636     -0.315842     -1.964184
  H      -5.975251     -2.773421     -1.625906
  H      -6.363943     -3.681784      0.650847
  H      -6.488364     -2.170150      2.600479
  H      -4.756388      5.869453      5.998978
  H      -3.409695      6.541426      6.943138
  H      -2.783526      8.006489      5.042758
  H      -4.467741      8.238713      5.529546
  H      -4.016107      8.183266      3.003209
  H      -3.526250      6.505449      3.168338
  H      -8.405023      6.478307      5.035620
  H      -8.927973      5.182491      0.657921
  H      -7.451687      5.206939     -1.365859
  H      -5.120108      6.063228     -1.198441
  H      -4.225281      6.858348      0.966250
  H      -5.950138      2.274163      7.865789
  H      -6.260225      2.422303      6.122054
  H      -6.481406      4.658338      8.192321
  H      -6.638867      4.900908      6.442899
  H      -8.377784      2.974942      8.097651
  H      -8.834491      4.625667      7.758553
  H      -8.156639      3.164134      2.891691
  H     -12.462270      1.751109      3.680668
  H     -13.912148      1.612132      5.713853
  H     -13.030237      2.308960      7.930487
  H     -10.715787      3.130877      8.149154
  N      -2.589655      3.312804      3.420698
  N      -1.939256      3.232694      2.297395
  H      -1.117792      2.647717      2.209127
  H      -2.262807      3.746896      1.483458
99
Coordinates from ORCA-job orca E -6258.881224547356
  N      -3.058498      1.293051      5.351896
  Mo     -3.463715      3.316711      5.017055
  N      -4.496288      3.334192      6.751515
  C      -3.665268      3.510958      7.941254
  C      -2.358001      2.753888      7.720951
  N      -1.757100      3.154350      6.396380
  C      -0.839696      2.108065      5.855803
  C      -1.656814      0.971844      5.196427
  C      -1.042814      4.477399      6.544161
  C      -1.463297      5.380557      5.394304
  N      -2.902398      5.233505      5.296145
  H      -1.358760      0.874223      4.133076
  H      -1.433898      0.006030      5.681224
  H      -0.209044      2.607244      5.110568
  H      -0.188321      1.746843      6.666736
  H      -1.168349      6.419311      5.617165
  H      -0.972846      5.086349      4.450619
  H      -1.396780      4.927933      7.480809
  H       0.038438      4.299970      6.634837
  H      -4.160561      3.079103      8.827828
  H      -3.483069      4.576910      8.174588
  H      -2.574463      1.682701      7.662957
  H      -1.613111      2.937377      8.512634
  C      -3.982479      0.978670      4.329743
  C      -5.065250     -0.062458      4.664412
  C      -6.402315      0.230830      3.946366
  C      -6.219486      0.612592      2.502767
  N      -6.040978      1.913045      2.265120
  C      -5.795521      2.292228      0.983824
  N      -5.718099      1.517647     -0.078536
  C      -5.915691      0.180180      0.133234
  C      -5.857235     -0.709742     -0.964751
  C      -6.043364     -2.063768     -0.767965
  C      -6.292963     -2.579318      0.524954
  C      -6.357620     -1.735244      1.613293
  C      -6.174045     -0.338889      1.443877
  C      -3.711467      6.270852      5.913105
  C      -3.749127      7.544172      5.044788
  C      -4.163291      7.293330      3.597304
  C      -5.589577      6.869330      3.362495
  N      -6.440898      6.887225      4.379673
  C      -7.722049      6.494752      4.134737
  N      -8.230194      6.053739      3.002072
  C      -7.376367      6.027198      1.934399
  C      -7.856032      5.568905      0.681959
  C      -7.022861      5.569850     -0.419027
  C      -5.690202      6.032578     -0.311377
  C      -5.194011      6.470018      0.903003
  C      -6.018089      6.461445      2.056783
  C      -5.877177      2.970574      6.983021
  C      -6.795188      4.170863      7.249784
  C      -8.262426      3.759526      7.369955
  C      -8.910824      3.325854      6.079812
  N      -8.200714      3.413450      4.965697
  C      -8.801527      3.052063      3.799993
  N     -10.015239      2.568235      3.643933
  C     -10.772408      2.458398      4.780485
  C     -12.093053      1.955160      4.687765
  C     -12.880036      1.858350      5.818224
  C     -12.380921      2.257572      7.078053
  C     -11.094190      2.745458      7.197560
  C     -10.261478      2.851606      6.055659
  H      -3.536331      0.792577      3.334108
  H      -4.646602      1.929501      4.139972
  H      -5.233750     -0.067877      5.749579
  H      -4.675371     -1.051593      4.378761
  H      -7.079427     -0.626101      4.058756
  H      -6.874083      1.094940      4.435738
  H      -5.652943      3.366978      0.829873
  H      -5.666335     -0.292911     -1.953961
  H      -6.002024     -2.747374     -1.616542
  H      -6.439863     -3.652924      0.657615
  H      -6.556831     -2.140421      2.605701
  H      -4.735729      5.893536      6.004627
  H      -3.369478      6.550196      6.931281
  H      -2.752844      8.012671      5.034765
  H      -4.431596      8.258797      5.526956
  H      -3.981550      8.203483      2.999813
  H      -3.504123      6.522940      3.165729
  H      -8.399034      6.543143      4.992901
  H      -8.891949      5.230814      0.621749
  H      -7.393928      5.218214     -1.383670
  H      -5.053884      6.046623     -1.197705
  H      -4.173299      6.848313      0.968738
  H      -5.946166      2.275660      7.843691
  H      -6.263057      2.436366      6.101906
  H      -6.488586      4.661419      8.185896
  H      -6.674139      4.901282      6.438106
  H      -8.369817      2.950520      8.113019
  H      -8.852204      4.598231      7.777884
  H      -8.180565      3.175098      2.907578
  H     -12.460733      1.660947      3.705090
  H     -13.899664      1.475026      5.743121
  H     -13.019910      2.178618      7.959167
  H     -10.717911      3.051035      8.173349
  N      -2.589714      3.298557      3.406113
  N      -1.957769      3.181741      2.278746
  H      -1.168737      2.539560      2.182611
  H      -2.263477      3.722336      1.470835
99
Coordinates from ORCA-job orca E -6258.883712635283
  N      -3.058501      1.293111      5.364975
  Mo     -3.444385      3.319527      4.999352
  N      -4.497882      3.351470      6.715594
  C      -3.676100      3.531786      7.914236
  C      -2.367107      2.768234      7.716189
  N      -1.749777      3.155765      6.391497
  C      -0.833034      2.095904      5.870847
  C      -1.655405      0.961599      5.216291
  C      -1.027471      4.477252      6.529119
  C      -1.443469      5.372808      5.369812
  N      -2.886517      5.232162      5.278448
  H      -1.356977      0.854015      4.153944
  H      -1.439585     -0.003859      5.708219
  H      -0.190610      2.580077      5.124537
  H      -0.192381      1.738330      6.692731
  H      -1.139820      6.412948      5.575314
  H      -0.961781      5.059539      4.428211
  H      -1.374554      4.935344      7.465029
  H       0.055974      4.295839      6.614390
  H      -4.183213      3.113419      8.802280
  H      -3.491303      4.600618      8.135223
  H      -2.585727      1.696319      7.665530
  H      -1.631812      2.956447      8.515204
  C      -3.974961      0.975754      4.332223
  C      -5.069532     -0.057884      4.656509
  C      -6.396438      0.236908      3.914370
  C      -6.188227      0.623087      2.472803
  N      -6.011571      1.924049      2.239281
  C      -5.745758      2.307967      0.959340
  N      -5.644438      1.535565     -0.104961
  C      -5.838543      0.197151      0.103158
  C      -5.753493     -0.691545     -0.996888
  C      -5.935231     -2.046128     -0.805131
  C      -6.207979     -2.565704      0.485440
  C      -6.298869     -1.723612      1.575252
  C      -6.119168     -0.325901      1.410557
  C      -3.676984      6.271511      5.919393
  C      -3.734901      7.541547      5.046488
  C      -4.187827      7.282111      3.610343
  C      -5.619150      6.850545      3.420284
  N      -6.442693      6.888906      4.458189
  C      -7.730428      6.495853      4.254447
  N      -8.267443      6.038857      3.145640
  C      -7.440426      5.983128      2.060500
  C      -7.950836      5.496020      0.833170
  C      -7.144450      5.459635     -0.284162
  C      -5.805353      5.911388     -0.218833
  C      -5.279976      6.377015      0.969038
  C      -6.079358      6.410674      2.137974
  C      -5.879393      2.982141      6.938096
  C      -6.793897      4.187019      7.209588
  C      -8.262306      3.788337      7.335789
  C      -8.917714      3.353710      6.046517
  N      -8.208499      3.420169      4.930621
  C      -8.816417      3.052896      3.766947
  N     -10.037569      2.588263      3.612471
  C     -10.791960      2.502966      4.751073
  C     -12.118750      2.021396      4.661877
  C     -12.903798      1.949339      5.793811
  C     -12.396761      2.352029      7.053062
  C     -11.103841      2.817981      7.169417
  C     -10.273159      2.899154      6.025346
  H      -3.514107      0.778212      3.345962
  H      -4.628125      1.928438      4.120416
  H      -5.255762     -0.054886      5.739768
  H      -4.679470     -1.050849      4.384915
  H      -7.075189     -0.621050      4.012054
  H      -6.879318      1.099207      4.397224
  H      -5.607164      3.383464      0.808659
  H      -5.545501     -0.272189     -1.984332
  H      -5.872824     -2.727965     -1.655814
  H      -6.351280     -3.639925      0.614447
  H      -6.514955     -2.131385      2.565400
  H      -4.700006      5.897424      6.041380
  H      -3.300121      6.547631      6.924619
  H      -2.736895      8.008236      5.006501
  H      -4.405419      8.258113      5.543983
  H      -4.025766      8.187824      2.999668
  H      -3.535743      6.509977      3.169470
  H      -8.385612      6.560267      5.128367
  H      -8.988891      5.164086      0.805955
  H      -7.539275      5.083882     -1.227754
  H      -5.187496      5.892732     -1.117048
  H      -4.252678      6.740747      1.003668
  H      -5.953154      2.278428      7.793398
  H      -6.261406      2.459143      6.047995
  H      -6.479491      4.680965      8.143562
  H      -6.671679      4.913500      6.393242
  H      -8.376469      2.983493      8.084792
  H      -8.841384      4.636559      7.740488
  H      -8.195870      3.152331      2.873860
  H     -12.492544      1.723544      3.679705
  H     -13.928163      1.583385      5.721267
  H     -13.034735      2.293170      7.935335
  H     -10.721201      3.127105      8.144328
  N      -2.562951      3.281562      3.391141
  N      -1.963814      3.116329      2.258595
  H      -1.216115      2.422994      2.154309
  H      -2.242356      3.679258      1.451486
99
Coordinates from ORCA-job orca E -6258.886033205347
  N      -3.061517      1.296474      5.376672
  Mo     -3.448011      3.320442      4.995193
  N      -4.502751      3.353769      6.702209
  C      -3.681442      3.538967      7.901419
  C      -2.368863      2.782182      7.708854
  N      -1.751300      3.165517      6.383888
  C      -0.834420      2.103604      5.870315
  C      -1.657973      0.966709      5.222057
  C      -1.031699      4.487911      6.514222
  C      -1.456963      5.375246      5.352667
  N      -2.901739      5.232294      5.269825
  H      -1.366345      0.855556      4.158710
  H      -1.438251      0.003206      5.715059
  H      -0.191369      2.581101      5.121020
  H      -0.195254      1.751728      6.694952
  H      -1.151920      6.417185      5.543875
  H      -0.984510      5.049896      4.411109
  H      -1.370079      4.947317      7.452216
  H       0.052775      4.311791      6.588128
  H      -4.187910      3.124971      8.790276
  H      -3.501009      4.609088      8.115190
  H      -2.581356      1.709331      7.662161
  H      -1.637235      2.978324      8.509287
  C      -3.978208      0.970190      4.345888
  C      -5.065659     -0.067210      4.674506
  C      -6.397708      0.206458      3.938186
  C      -6.207056      0.591272      2.495713
  N      -6.063914      1.892988      2.259152
  C      -5.825233      2.276781      0.977686
  N      -5.719646      1.503474     -0.085260
  C      -5.876930      0.163567      0.126405
  C      -5.784099     -0.726534     -0.972378
  C      -5.928135     -2.082061     -0.778125
  C      -6.169869     -2.602005      0.513832
  C      -6.268827     -1.758472      1.602264
  C      -6.127206     -0.359459      1.434802
  C      -3.681126      6.272981      5.924505
  C      -3.728964      7.552654      5.066259
  C      -4.165416      7.315093      3.622868
  C      -5.594719      6.891515      3.407561
  N      -6.434124      6.925795      4.433858
  C      -7.724184      6.553189      4.202223
  N      -8.250542      6.126509      3.074079
  C      -7.405352      6.072394      2.002000
  C      -7.903048      5.614954      0.756309
  C      -7.077307      5.579628     -0.347364
  C      -5.729439      6.000003     -0.250307
  C      -5.216700      6.435404      0.955659
  C      -6.038147      6.471902      2.110842
  C      -5.878086      2.963181      6.925763
  C      -6.801404      4.155568      7.223636
  C      -8.267056      3.748032      7.353297
  C      -8.930364      3.335456      6.061091
  N      -8.229887      3.430670      4.940350
  C      -8.845189      3.083826      3.775255
  N     -10.065857      2.616026      3.621115
  C     -10.810494      2.500372      4.764582
  C     -12.135508      2.009884      4.677410
  C     -12.910455      1.903802      5.814392
  C     -12.395237      2.280721      7.077177
  C     -11.104125      2.755643      7.191428
  C     -10.283441      2.871011      6.042051
  H      -3.514045      0.765879      3.362411
  H      -4.629023      1.919575      4.124235
  H      -5.248351     -0.058567      5.757413
  H      -4.670122     -1.058692      4.408618
  H      -7.060121     -0.662030      4.039138
  H      -6.892907      1.060084      4.422505
  H      -5.715815      3.352987      0.823970
  H      -5.600553     -0.306912     -1.960645
  H      -5.859283     -2.764581     -1.628003
  H      -6.283023     -3.676810      0.645143
  H      -6.460527     -2.166271      2.593129
  H      -4.705369      5.904777      6.049970
  H      -3.292431      6.536452      6.927799
  H      -2.729597      8.015100      5.039510
  H      -4.399919      8.266408      5.566227
  H      -3.993937      8.229834      3.028561
  H      -3.509913      6.547320      3.179289
  H      -8.392804      6.612044      5.066755
  H      -8.947278      5.304842      0.704422
  H      -7.462844      5.226436     -1.304760
  H      -5.094696      5.979435     -1.137615
  H      -4.180758      6.770235      1.016104
  H      -5.941034      2.241833      7.766685
  H      -6.258788      2.456691      6.026715
  H      -6.481348      4.638021      8.160292
  H      -6.690549      4.893117      6.417125
  H      -8.372925      2.930621      8.087325
  H      -8.846357      4.586953      7.775715
  H      -8.231691      3.201481      2.878968
  H     -12.515595      1.731792      3.693008
  H     -13.933109      1.529919      5.743519
  H     -13.025461      2.194673      7.963770
  H     -10.714909      3.044290      8.168711
  N      -2.575886      3.272664      3.376966
  N      -2.016155      3.065602      2.233223
  H      -1.315266      2.316715      2.114930
  H      -2.272273      3.644979      1.427872
99
Coordinates from ORCA-job orca E -6258.888018564996
  N      -3.085184      1.305021      5.399103
  Mo     -3.449458      3.332117      4.988747
  N      -4.508735      3.385348      6.684155
  C      -3.687674      3.578291      7.883262
  C      -2.376183      2.814707      7.701059
  N      -1.751750      3.177147      6.372570
  C      -0.846832      2.097326      5.873439
  C      -1.684575      0.961341      5.239095
  C      -1.019661      4.494963      6.484446
  C      -1.448049      5.371337      5.316152
  N      -2.896504      5.240526      5.248794
  H      -1.399709      0.838524      4.174872
  H      -1.470948     -0.000355      5.738059
  H      -0.196675      2.556151      5.117969
  H      -0.213869      1.749412      6.703833
  H      -1.129994      6.413360      5.484257
  H      -0.991878      5.021092      4.375540
  H      -1.341687      4.965755      7.422718
  H       0.064418      4.311827      6.544739
  H      -4.198259      3.178449      8.775432
  H      -3.504189      4.650236      8.081739
  H      -2.591557      1.741302      7.666593
  H      -1.646508      3.019371      8.501290
  C      -4.005199      0.973689      4.372656
  C      -5.104137     -0.049188      4.708586
  C      -6.426459      0.236068      3.960974
  C      -6.213450      0.616137      2.519902
  N      -6.029258      1.915601      2.282190
  C      -5.758614      2.294778      1.002860
  N      -5.654286      1.519139     -0.056673
  C      -5.852853      0.180962      0.156294
  C      -5.764749     -0.711704     -0.939582
  C      -5.954366     -2.065549     -0.744448
  C      -6.235626     -2.581463      0.545721
  C      -6.328001     -1.735268      1.631075
  C      -6.141992     -0.337892      1.462074
  C      -3.651536      6.290947      5.917977
  C      -3.694511      7.570660      5.062155
  C      -4.137573      7.336319      3.621410
  C      -5.569374      6.919813      3.410530
  N      -6.409075      6.971860      4.436520
  C      -7.705199      6.619786      4.204056
  N      -8.238521      6.205908      3.073836
  C      -7.391533      6.128517      2.003294
  C      -7.895669      5.678809      0.756233
  C      -7.066344      5.617543     -0.344267
  C      -5.707518      6.000910     -0.242638
  C      -5.189133      6.428517      0.964414
  C      -6.015775      6.495617      2.115380
  C      -5.878101      2.975946      6.908963
  C      -6.814876      4.151598      7.229838
  C      -8.273992      3.719003      7.357581
  C      -8.931059      3.313867      6.058642
  N      -8.230499      3.444831      4.940898
  C      -8.837244      3.105658      3.770571
  N     -10.049581      2.614724      3.606836
  C     -10.793405      2.458155      4.746665
  C     -12.108517      1.933924      4.649603
  C     -12.880782      1.780417      5.783030
  C     -12.373460      2.142832      7.051962
  C     -11.092757      2.652192      7.175578
  C     -10.274697      2.815687      6.029995
  H      -3.538139      0.751048      3.393141
  H      -4.643895      1.924757      4.132365
  H      -5.293809     -0.025871      5.790387
  H      -4.719778     -1.049298      4.456420
  H      -7.099547     -0.626075      4.057241
  H      -6.918136      1.097046      4.436694
  H      -5.615162      3.369210      0.848618
  H      -5.550220     -0.295425     -1.926464
  H      -5.890995     -2.749396     -1.591942
  H      -6.385490     -3.655245      0.677542
  H      -6.551720     -2.139350      2.620952
  H      -4.677345      5.933923      6.062598
  H      -3.237528      6.549321      6.912577
  H      -2.691964      8.024981      5.029919
  H      -4.356898      8.289097      5.566120
  H      -3.964890      8.251288      3.028735
  H      -3.486502      6.567403      3.174949
  H      -8.373203      6.690848      5.068383
  H      -8.947683      5.394715      0.701023
  H      -7.456858      5.270246     -1.302830
  H      -5.069078      5.956892     -1.126734
  H      -4.143236      6.729954      1.029931
  H      -5.929556      2.237605      7.734588
  H      -6.255519      2.485491      6.000292
  H      -6.493696      4.626518      8.168909
  H      -6.720118      4.899492      6.431356
  H      -8.364007      2.889360      8.078521
  H      -8.867160      4.543180      7.791407
  H      -8.223219      3.249246      2.877051
  H     -12.482324      1.666923      3.661450
  H     -13.895148      1.378423      5.704643
  H     -13.001273      2.018140      7.936059
  H     -10.709437      2.928390      8.157215
  N      -2.602093      3.250838      3.359559
  N      -2.102664      2.974564      2.200373
  H      -1.462397      2.195281      2.075697
  H      -2.326593      3.548586      1.391715
99
Coordinates from ORCA-job orca E -6258.889805683801
  N      -3.078280      1.305431      5.402419
  Mo     -3.442276      3.330317      4.982211
  N      -4.510271      3.384602      6.663963
  C      -3.693515      3.581078      7.867080
  C      -2.377549      2.824121      7.695364
  N      -1.746636      3.180660      6.368879
  C      -0.841836      2.097896      5.879882
  C      -1.678010      0.962044      5.244298
  C      -1.016225      4.498420      6.473307
  C      -1.446763      5.367505      5.299182
  N      -2.895818      5.237131      5.235900
  H      -1.391832      0.840956      4.180522
  H      -1.464181      0.000739      5.742397
  H      -0.186842      2.551183      5.126156
  H      -0.214472      1.752355      6.715903
  H      -1.126723      6.410089      5.455586
  H      -0.995417      5.005336      4.360958
  H      -1.333731      4.972984      7.411104
  H       0.067704      4.317942      6.528893
  H      -4.206597      3.184219      8.758025
  H      -3.514825      4.653590      8.059999
  H      -2.586267      1.750525      7.665611
  H      -1.655183      3.037083      8.499815
  C      -3.996989      0.968673      4.376092
  C      -5.094151     -0.054130      4.710707
  C      -6.411645      0.226290      3.952153
  C      -6.186173      0.614547      2.514711
  N      -6.014708      1.916573      2.284689
  C      -5.743282      2.304721      1.009058
  N      -5.626033      1.535281     -0.053511
  C      -5.808174      0.194162      0.151893
  C      -5.705189     -0.691881     -0.947575
  C      -5.877781     -2.048434     -0.760175
  C      -6.155924     -2.573136      0.525663
  C      -6.264280     -1.733342      1.614211
  C      -6.096517     -0.333778      1.453128
  C      -3.641919      6.291047      5.912840
  C      -3.692458      7.570933      5.056962
  C      -4.150381      7.331881      3.620730
  C      -5.585543      6.913955      3.432267
  N      -6.413490      6.988186      4.466027
  C      -7.714155      6.642712      4.254274
  N      -8.263942      6.219839      3.137465
  C      -7.429283      6.115425      2.059939
  C      -7.950590      5.649105      0.827283
  C      -7.132518      5.556668     -0.279241
  C      -5.768375      5.925306     -0.197884
  C      -5.233728      6.370564      0.994596
  C      -6.048508      6.469020      2.151104
  C      -5.877904      2.965328      6.885098
  C      -6.814797      4.133646      7.227017
  C      -8.273988      3.701886      7.353857
  C      -8.933626      3.312879      6.051913
  N      -8.231941      3.439793      4.935199
  C      -8.841220      3.115658      3.762576
  N     -10.060068      2.652511      3.594622
  C     -10.805474      2.504778      4.732686
  C     -12.128181      2.016744      4.629657
  C     -12.902757      1.874277      5.761400
  C     -12.389734      2.211154      7.034286
  C     -11.101874      2.684884      7.163637
  C     -10.281769      2.838845      6.019500
  H      -3.525113      0.739753      3.400315
  H      -4.632463      1.918375      4.128983
  H      -5.289786     -0.028689      5.791458
  H      -4.707055     -1.054116      4.463571
  H      -7.079395     -0.641348      4.036845
  H      -6.914862      1.080718      4.426256
  H      -5.613610      3.381917      0.861156
  H      -5.493291     -0.268718     -1.930836
  H      -5.802790     -2.727311     -1.610394
  H      -6.291419     -3.649066      0.651485
  H      -6.485594     -2.144303      2.600673
  H      -4.666730      5.936839      6.072299
  H      -3.211612      6.547838      6.900803
  H      -2.690571      8.027113      5.016120
  H      -4.352616      8.288419      5.565066
  H      -3.987129      8.245196      3.022797
  H      -3.503249      6.562666      3.169839
  H      -8.370564      6.728953      5.125854
  H      -9.005975      5.375695      0.787941
  H      -7.535880      5.196507     -1.226802
  H      -5.138816      5.855925     -1.086234
  H      -4.183110      6.659112      1.045065
  H      -5.924790      2.212018      7.696514
  H      -6.255416      2.493334      5.967151
  H      -6.490002      4.597424      8.170075
  H      -6.721851      4.890577      6.436436
  H      -8.367002      2.865229      8.066689
  H      -8.862697      4.524048      7.796115
  H      -8.226104      3.250430      2.869782
  H     -12.506136      1.768977      3.638397
  H     -13.922871      1.501948      5.678461
  H     -13.019678      2.095924      7.916690
  H     -10.714638      2.944239      8.148341
  N      -2.597053      3.233365      3.344982
  N      -2.140094      2.916518      2.180148
  H      -1.560822      2.083185      2.051883
  H      -2.327067      3.507241      1.366793
99
Coordinates from ORCA-job orca E -6258.890899396404
  N      -3.100888      1.310167      5.410614
  Mo     -3.436814      3.340182      4.972616
  N      -4.528312      3.416346      6.633792
  C      -3.721536      3.613520      7.845312
  C      -2.407443      2.841983      7.696658
  N      -1.753412      3.177399      6.373318
  C      -0.858989      2.075188      5.905353
  C      -1.703987      0.948326      5.265322
  C      -1.007250      4.487308      6.468433
  C      -1.422923      5.353413      5.283832
  N      -2.873917      5.241598      5.217138
  H      -1.407161      0.825111      4.203825
  H      -1.505648     -0.015980      5.766171
  H      -0.185193      2.511952      5.156651
  H      -0.249028      1.724804      6.753934
  H      -1.088305      6.393251      5.428813
  H      -0.975200      4.972447      4.350914
  H      -1.319811      4.972933      7.402622
  H       0.076053      4.293104      6.526826
  H      -4.249943      3.230008      8.735577
  H      -3.535402      4.687267      8.027005
  H      -2.623345      1.768752      7.677823
  H      -1.695049      3.059115      8.508294
  C      -4.016776      0.978173      4.378986
  C      -5.125504     -0.034661      4.708717
  C      -6.437437      0.240567      3.935132
  C      -6.203510      0.641054      2.502493
  N      -6.071454      1.946455      2.283870
  C      -5.809915      2.348215      1.013520
  N      -5.666429      1.588855     -0.053753
  C      -5.804046      0.243888      0.140305
  C      -5.667735     -0.631074     -0.964711
  C      -5.791898     -1.990835     -0.788625
  C      -6.054676     -2.528968      0.490875
  C      -6.198327     -1.699720      1.584541
  C      -6.079323     -0.297720      1.435129
  C      -3.605330      6.304173      5.897558
  C      -3.648177      7.586498      5.046400
  C      -4.101614      7.347028      3.609095
  C      -5.535091      6.919967      3.425009
  N      -6.363245      7.002840      4.458004
  C      -7.662663      6.653554      4.251432
  N      -8.213205      6.224598      3.139120
  C      -7.378611      6.107627      2.062647
  C      -7.900424      5.629826      0.835771
  C      -7.080807      5.520619     -0.268391
  C      -5.714949      5.883119     -0.189743
  C      -5.179916      6.340423      0.997514
  C      -5.996657      6.457471      2.150654
  C      -5.898682      2.998192      6.847133
  C      -6.836893      4.165278      7.194561
  C      -8.293098      3.723281      7.338019
  C      -8.976350      3.319897      6.047265
  N      -8.302542      3.448743      4.911851
  C      -8.935605      3.100277      3.753113
  N     -10.153509      2.612681      3.616774
  C     -10.871940      2.462795      4.774349
  C     -12.192040      1.944129      4.705314
  C     -12.937076      1.794671      5.858935
  C     -12.396260      2.156035      7.119908
  C     -11.110510      2.660215      7.215834
  C     -10.320312      2.821118      6.048615
  H      -3.536392      0.735078      3.410420
  H      -4.638001      1.933803      4.118067
  H      -5.330762     -0.006970      5.787870
  H      -4.739642     -1.037116      4.469130
  H      -7.094727     -0.635408      4.005482
  H      -6.957705      1.083880      4.408730
  H      -5.717186      3.428523      0.875287
  H      -5.468110     -0.197069     -1.942580
  H      -5.689533     -2.662175     -1.643039
  H      -6.149933     -3.606984      0.607754
  H      -6.405994     -2.121543      2.565699
  H      -4.632290      5.960414      6.061753
  H      -3.166694      6.553791      6.883823
  H      -2.647039      8.044142      5.013525
  H      -4.311843      8.302011      5.551430
  H      -3.945883      8.262648      3.012463
  H      -3.450340      6.583251      3.156782
  H      -8.316816      6.744515      5.124133
  H      -8.956484      5.359796      0.799113
  H      -7.483711      5.151660     -1.212026
  H      -5.084190      5.798614     -1.075814
  H      -4.126934      6.621788      1.047054
  H      -5.944879      2.236967      7.652271
  H      -6.273098      2.535983      5.921762
  H      -6.505986      4.633907      8.136165
  H      -6.753372      4.922386      6.399061
  H      -8.370643      2.886492      8.058595
  H      -8.881116      4.542669      7.785054
  H      -8.341950      3.233618      2.844411
  H     -12.591470      1.676717      3.722050
  H     -13.954919      1.396970      5.802654
  H     -13.002960      2.034130      8.019875
  H     -10.701707      2.936954      8.192110
  N      -2.598855      3.208915      3.337511
  N      -2.196674      2.837477      2.167932
  H      -1.690040      1.957892      2.042552
  H      -2.338544      3.429504      1.345899
99
Coordinates from ORCA-job orca E -6258.892196932224
  N      -3.106875      1.305133      5.406073
  Mo     -3.441045      3.334966      4.968962
  N      -4.527355      3.411585      6.626540
  C      -3.714008      3.608037      7.834180
  C      -2.398953      2.841496      7.680847
  N      -1.748311      3.171316      6.356104
  C      -0.861924      2.064503      5.888691
  C      -1.713403      0.940871      5.250812
  C      -0.998270      4.478395      6.441523
  C      -1.423881      5.341199      5.258789
  N      -2.876061      5.234661      5.204972
  H      -1.422407      0.822344      4.187652
  H      -1.513067     -0.025140      5.746027
  H      -0.186866      2.495498      5.138886
  H      -0.253442      1.712111      6.736311
  H      -1.083875      6.380209      5.395626
  H      -0.987462      4.952703      4.323757
  H      -1.298240      4.967505      7.377677
  H       0.084132      4.282591      6.488554
  H      -4.237137      3.224132      8.725845
  H      -3.528546      4.681738      8.013750
  H      -2.611557      1.767904      7.667025
  H      -1.685239      3.064555      8.490185
  C      -4.031487      0.971307      4.384010
  C      -5.140553     -0.038442      4.722328
  C      -6.448365      0.224294      3.936575
  C      -6.197474      0.605287      2.501148
  N      -6.055678      1.907818      2.264682
  C      -5.757636      2.290389      0.993179
  N      -5.584975      1.515101     -0.059763
  C      -5.732521      0.172119      0.152375
  C      -5.561435     -0.719708     -0.935959
  C      -5.692499     -2.078090     -0.739711
  C      -5.996926     -2.596984      0.543512
  C      -6.173286     -1.750468      1.621312
  C      -6.048170     -0.349726      1.451059
  C      -3.595541      6.298203      5.899383
  C      -3.646388      7.586290      5.056200
  C      -4.120504      7.360790      3.621380
  C      -5.558765      6.941892      3.455722
  N      -6.371475      7.028791      4.502165
  C      -7.678842      6.701681      4.308144
  N      -8.254049      6.300194      3.194462
  C      -7.436431      6.180765      2.105074
  C      -7.986471      5.738085      0.876120
  C      -7.184035      5.627097     -0.241109
  C      -5.808011      5.948644     -0.172933
  C      -5.245170      6.371275      1.016443
  C      -6.044500      6.496071      2.182027
  C      -5.894989      2.988725      6.844058
  C      -6.830275      4.146789      7.220764
  C      -8.285352      3.703864      7.349202
  C      -8.955426      3.332593      6.047114
  N      -8.269247      3.480768      4.923432
  C      -8.887836      3.158100      3.753674
  N     -10.104700      2.684118      3.595826
  C     -10.836774      2.517974      4.740416
  C     -12.156758      2.014094      4.646493
  C     -12.914003      1.844732      5.787242
  C     -12.385560      2.170115      7.059101
  C     -11.100727      2.660428      7.179060
  C     -10.298460      2.842336      6.025522
  H      -3.556993      0.721037      3.414475
  H      -4.648938      1.927564      4.122842
  H      -5.349312     -0.000062      5.800568
  H      -4.753518     -1.043775      4.494616
  H      -7.101094     -0.654570      4.009798
  H      -6.978275      1.071047      4.395109
  H      -5.654788      3.368041      0.840916
  H      -5.328677     -0.299945     -1.917359
  H      -5.563166     -2.763130     -1.581256
  H      -6.097033     -3.673877      0.676077
  H      -6.411825     -2.157864      2.606086
  H      -4.621729      5.957427      6.079664
  H      -3.139768      6.541866      6.879632
  H      -2.645242      8.043580      5.015951
  H      -4.304915      8.299069      5.574994
  H      -3.974215      8.283861      3.033268
  H      -3.476690      6.601120      3.148600
  H      -8.318326      6.792652      5.192481
  H      -9.049633      5.496402      0.848010
  H      -7.608109      5.285042     -1.186703
  H      -5.190864      5.858612     -1.068713
  H      -4.183991      6.617458      1.057588
  H      -5.934256      2.209328      7.631246
  H      -6.274847      2.549308      5.911273
  H      -6.501968      4.592369      8.171921
  H      -6.744341      4.920071      6.444274
  H      -8.366586      2.851943      8.046026
  H      -8.876320      4.511378      7.812507
  H      -8.282803      3.297998      2.855139
  H     -12.545787      1.773493      3.655601
  H     -13.931720      1.457887      5.711983
  H     -13.001186      2.031639      7.948702
  H     -10.701980      2.909362      8.163542
  N      -2.634663      3.197231      3.314949
  N      -2.288180      2.797343      2.136584
  H      -1.855451      1.878287      2.002980
  H      -2.400192      3.399891      1.315135
99
Coordinates from ORCA-job orca E -6258.892972940155
  N      -3.101831      1.311767      5.414323
  Mo     -3.430583      3.339900      4.970850
  N      -4.528616      3.422479      6.617552
  C      -3.719451      3.622461      7.828668
  C      -2.401700      2.860142      7.686361
  N      -1.742432      3.178190      6.363315
  C      -0.859306      2.064221      5.909153
  C      -1.710040      0.944257      5.264349
  C      -0.988502      4.482025      6.440685
  C      -1.409135      5.337389      5.250558
  N      -2.861815      5.238233      5.193402
  H      -1.413517      0.829632      4.202086
  H      -1.512868     -0.023185      5.757295
  H      -0.172937      2.487032      5.165466
  H      -0.262477      1.709599      6.764237
  H      -1.064651      6.375506      5.380040
  H      -0.972670      4.939396      4.319791
  H      -1.286469      4.979715      7.373151
  H       0.092115      4.283127      6.490046
  H      -4.243633      3.239135      8.718693
  H      -3.538000      4.696122      8.005981
  H      -2.610551      1.786426      7.681715
  H      -1.694560      3.092250      8.498924
  C      -4.028110      0.974798      4.395763
  C      -5.139612     -0.028703      4.739214
  C      -6.443363      0.238724      3.950897
  C      -6.186499      0.629719      2.520378
  N      -6.029375      1.934583      2.295269
  C      -5.726416      2.326265      1.029914
  N      -5.564346      1.558650     -0.027042
  C      -5.729646      0.213921      0.172937
  C      -5.577737     -0.669497     -0.920843
  C      -5.730403     -2.030080     -0.736824
  C      -6.035923     -2.558586      0.539042
  C      -6.193299     -1.720531      1.622158
  C      -6.047882     -0.317867      1.464814
  C      -3.574672      6.309357      5.880544
  C      -3.621386      7.592555      5.030625
  C      -4.104403      7.362430      3.600251
  C      -5.546932      6.953951      3.445903
  N      -6.357091      7.073336      4.489961
  C      -7.668478      6.757520      4.306907
  N      -8.251506      6.339793      3.204939
  C      -7.436973      6.186267      2.117527
  C      -7.994509      5.723556      0.900530
  C      -7.194559      5.576441     -0.214150
  C      -5.814825      5.882235     -0.154720
  C      -5.244813      6.325675      1.022783
  C      -6.040276      6.485768      2.185176
  C      -5.894206      2.989213      6.828569
  C      -6.840639      4.135442      7.216359
  C      -8.291715      3.675895      7.341402
  C      -8.958978      3.309774      6.036890
  N      -8.275044      3.479722      4.915289
  C      -8.890317      3.166354      3.743284
  N     -10.104029      2.687043      3.581369
  C     -10.835283      2.500991      4.723269
  C     -12.152914      1.995569      4.623315
  C     -12.908934      1.806098      5.761344
  C     -12.381156      2.111476      7.035853
  C     -11.099024      2.604570      7.161672
  C     -10.298182      2.808651      6.011047
  H      -3.556290      0.715955      3.427308
  H      -4.639866      1.931903      4.129574
  H      -5.349347      0.016171      5.816171
  H      -4.757511     -1.036803      4.517122
  H      -7.098621     -0.639863      4.016076
  H      -6.971994      1.083342      4.413010
  H      -5.609076      3.405393      0.886953
  H      -5.345344     -0.242482     -1.896518
  H      -5.618290     -2.708305     -1.582541
  H      -6.154028     -3.637442      0.661823
  H      -6.435747     -2.135584      2.600932
  H      -4.601985      5.974697      6.066541
  H      -3.114000      6.557941      6.856651
  H      -2.618769      8.046119      4.985715
  H      -4.275686      8.309696      5.547335
  H      -3.957432      8.282426      3.008321
  H      -3.468506      6.598469      3.126361
  H      -8.304381      6.872590      5.190327
  H      -9.060844      5.494841      0.879347
  H      -7.624345      5.219881     -1.151273
  H      -5.200259      5.764553     -1.048213
  H      -4.180742      6.561095      1.056951
  H      -5.927195      2.200238      7.606413
  H      -6.269154      2.556822      5.889466
  H      -6.516482      4.575425      8.171654
  H      -6.762846      4.916788      6.447696
  H      -8.362049      2.816430      8.029456
  H      -8.892041      4.472381      7.813447
  H      -8.286939      3.322828      2.845506
  H     -12.541029      1.771002      3.630695
  H     -13.924936      1.418932      5.681338
  H     -12.995500      1.956422      7.923485
  H     -10.701629      2.839141      8.148198
  N      -2.630166      3.186939      3.308644
  N      -2.324433      2.761788      2.129728
  H      -1.977569      1.806743      1.996727
  H      -2.400350      3.361340      1.308333
99
Coordinates from ORCA-job orca E -6258.893511959484
  N      -3.122671      1.308645      5.402648
  Mo     -3.438757      3.338681      4.962516
  N      -4.545622      3.428888      6.603638
  C      -3.736282      3.621562      7.815752
  C      -2.420209      2.854492      7.676829
  N      -1.753218      3.165237      6.355984
  C      -0.878093      2.042196      5.908300
  C      -1.734304      0.932342      5.252836
  C      -0.989801      4.463313      6.431255
  C      -1.403603      5.320561      5.239655
  N      -2.857020      5.233877      5.178698
  H      -1.434701      0.826689      4.190255
  H      -1.543241     -0.040492      5.737778
  H      -0.179029      2.457748      5.172160
  H      -0.293844      1.678301      6.768206
  H      -1.051537      6.356201      5.370076
  H      -0.967779      4.920074      4.309641
  H      -1.283891      4.966152      7.362336
  H       0.089167      4.256454      6.482427
  H      -4.262931      3.237278      8.704458
  H      -3.550693      4.694374      7.995957
  H      -2.632072      1.781125      7.676334
  H      -1.715555      3.087254      8.491352
  C      -4.053709      0.976758      4.387504
  C      -5.171077     -0.019036      4.734520
  C      -6.467759      0.241333      3.930756
  C      -6.193845      0.630636      2.502327
  N      -6.052660      1.936386      2.274866
  C      -5.728973      2.326485      1.014029
  N      -5.530245      1.557118     -0.036518
  C      -5.678109      0.211745      0.165246
  C      -5.483120     -0.673228     -0.921330
  C      -5.614104     -2.034484     -0.734443
  C      -5.942444     -2.561497      0.536860
  C      -6.142609     -1.721875      1.613128
  C      -6.018430     -0.318558      1.453167
  C      -3.563118      6.308061      5.867721
  C      -3.600640      7.596344      5.025636
  C      -4.080352      7.378391      3.593297
  C      -5.522147      6.968948      3.435822
  N      -6.333141      7.081588      4.481216
  C      -7.642002      6.760880      4.298410
  N      -8.223767      6.344898      3.194941
  C      -7.410032      6.201446      2.105382
  C      -7.967444      5.744341      0.886467
  C      -7.168371      5.607696     -0.230769
  C      -5.790061      5.918729     -0.171896
  C      -5.219897      6.356407      1.007794
  C      -6.014348      6.505527      2.173146
  C      -5.912799      3.001003      6.813966
  C      -6.854708      4.146354      7.213001
  C      -8.304626      3.684066      7.352694
  C      -8.987974      3.307471      6.056829
  N      -8.319978      3.468668      4.923778
  C      -8.950126      3.140836      3.761256
  N     -10.165112      2.657176      3.619323
  C     -10.881514      2.481461      4.772748
  C     -12.200494      1.973773      4.693301
  C     -12.941408      1.794943      5.843605
  C     -12.396328      2.113274      7.110044
  C     -11.112390      2.608581      7.215974
  C     -10.326949      2.802656      6.052371
  H      -3.586184      0.709997      3.419042
  H      -4.656653      1.938762      4.120264
  H      -5.389117      0.036525      5.809866
  H      -4.788839     -1.030434      4.525609
  H      -7.118109     -0.641316      3.989455
  H      -7.007007      1.083229      4.385684
  H      -5.625265      3.406212      0.869353
  H      -5.233898     -0.247011     -1.893736
  H      -5.467556     -2.714395     -1.574600
  H      -6.042900     -3.640642      0.661957
  H      -6.401141     -2.136533      2.588319
  H      -4.592725      5.980363      6.050820
  H      -3.103192      6.549534      6.846055
  H      -2.597650      8.048337      4.989342
  H      -4.255978      8.311354      5.543309
  H      -3.937085      8.305620      3.011547
  H      -3.442785      6.621771      3.110710
  H      -8.277075      6.867868      5.183718
  H      -9.032801      5.512078      0.865547
  H      -7.598267      5.256723     -1.169992
  H      -5.176128      5.809496     -1.067653
  H      -4.156276      6.596623      1.040890
  H      -5.944785      2.205846      7.585718
  H      -6.291909      2.576227      5.873406
  H      -6.523449      4.583881      8.167755
  H      -6.783186      4.930767      6.445526
  H      -8.365468      2.826258      8.047202
  H      -8.901422      4.480593      7.828332
  H      -8.359848      3.290904      2.854062
  H     -12.601889      1.739057      3.706141
  H     -13.958579      1.406873      5.779409
  H     -12.998743      1.966395      8.007619
  H     -10.702138      2.853548      8.196851
  N      -2.647301      3.176391      3.295018
  N      -2.375103      2.741684      2.111700
  H      -2.090947      1.773942      1.970854
  H      -2.398570      3.371923      1.296665
99
Coordinates from ORCA-job orca E -6258.893813296250
  N      -3.147787      1.299809      5.387025
  Mo     -3.444235      3.332725      4.949218
  N      -4.559434      3.438505      6.589861
  C      -3.746723      3.621367      7.801166
  C      -2.436412      2.842696      7.662698
  N      -1.762727      3.144241      6.341724
  C      -0.898134      2.009283      5.899438
  C      -1.763341      0.912246      5.233639
  C      -0.985017      4.435903      6.415064
  C      -1.389026      5.297101      5.223586
  N      -2.843392      5.225200      5.161600
  H      -1.463561      0.816064      4.170075
  H      -1.579506     -0.067199      5.709005
  H      -0.185338      2.416413      5.171582
  H      -0.327704      1.635236      6.764089
  H      -1.027388      6.329761      5.358252
  H      -0.954820      4.897601      4.292115
  H      -1.275332      4.944012      7.344745
  H       0.091989      4.216636      6.470294
  H      -4.275993      3.237507      8.690336
  H      -3.551630      4.693194      7.985824
  H      -2.656117      1.770143      7.666399
  H      -1.729837      3.072697      8.476721
  C      -4.085060      0.974913      4.374929
  C      -5.211554     -0.010032      4.726560
  C      -6.501149      0.237971      3.903583
  C      -6.209405      0.621941      2.476109
  N      -6.100259      1.926987      2.239565
  C      -5.752702      2.312353      0.982160
  N      -5.498553      1.538254     -0.056500
  C      -5.612753      0.193565      0.154311
  C      -5.350915     -0.696420     -0.917777
  C      -5.442123     -2.056396     -0.720216
  C      -5.800111     -2.578099      0.547232
  C      -6.065891     -1.733900      1.609361
  C      -5.979887     -0.331271      1.438830
  C      -3.545332      6.298363      5.858450
  C      -3.583522      7.593027      5.026095
  C      -4.070583      7.391389      3.594438
  C      -5.514369      6.985885      3.442043
  N      -6.319936      7.101027      4.490434
  C      -7.631945      6.785720      4.314093
  N      -8.220769      6.371241      3.213446
  C      -7.412125      6.226411      2.120702
  C      -7.977116      5.772127      0.904182
  C      -7.184404      5.634797     -0.216822
  C      -5.804776      5.942235     -0.164377
  C      -5.227220      6.375676      1.012848
  C      -6.014869      6.525848      2.181812
  C      -5.929196      3.019608      6.800178
  C      -6.863113      4.165335      7.209627
  C      -8.312587      3.706010      7.360546
  C      -9.006464      3.328318      6.071623
  N      -8.348928      3.487478      4.932358
  C      -8.989117      3.154338      3.775579
  N     -10.203979      2.666995      3.645251
  C     -10.909525      2.493512      4.806168
  C     -12.227604      1.980624      4.740000
  C     -12.957812      1.803182      5.897984
  C     -12.402185      2.128158      7.159277
  C     -11.118464      2.627788      7.252241
  C     -10.344260      2.820307      6.080575
  H      -3.623814      0.699333      3.406362
  H      -4.679218      1.943024      4.103467
  H      -5.439696      0.060904      5.799622
  H      -4.827820     -1.025170      4.536400
  H      -7.143655     -0.650262      3.957982
  H      -7.054356      1.076838      4.348299
  H      -5.677400      3.391831      0.830030
  H      -5.079646     -0.274129     -1.887862
  H      -5.241351     -2.740622     -1.549186
  H      -5.868475     -3.656065      0.680875
  H      -6.344092     -2.145002      2.581624
  H      -4.576075      5.973581      6.040877
  H      -3.084112      6.531880      6.838580
  H      -2.580096      8.044489      4.991233
  H      -4.237199      8.303697      5.552700
  H      -3.930939      8.326272      3.023386
  H      -3.437232      6.641154      3.096861
  H      -8.262958      6.895581      5.201714
  H      -9.043512      5.543651      0.888315
  H      -7.620490      5.286759     -1.154144
  H      -5.195525      5.832346     -1.062891
  H      -4.162951      6.611941      1.041388
  H      -5.963074      2.219563      7.566911
  H      -6.314324      2.600826      5.860504
  H      -6.525918      4.597540      8.164490
  H      -6.793747      4.953433      6.445658
  H      -8.368908      2.848935      8.056863
  H      -8.904744      4.501680      7.842302
  H      -8.407366      3.304111      2.862847
  H     -12.637258      1.740212      3.756190
  H     -13.974660      1.411195      5.844044
  H     -12.995881      1.982223      8.063204
  H     -10.700249      2.877182      8.229807
  N      -2.668959      3.163927      3.280737
  N      -2.418500      2.729977      2.090971
  H      -2.229574      1.730085      1.928783
  H      -2.446666      3.345383      1.286723
99
Coordinates from ORCA-job orca E -6258.894282795122
  N      -3.138790      1.307558      5.375290
  Mo     -3.432881      3.339603      4.953446
  N      -4.553702      3.443861      6.594629
  C      -3.740819      3.611651      7.807615
  C      -2.431239      2.832293      7.664999
  N      -1.754541      3.139006      6.346317
  C      -0.891132      2.002865      5.902027
  C      -1.756014      0.918357      5.215633
  C      -0.973222      4.428670      6.427185
  C      -1.367080      5.295467      5.236894
  N      -2.821388      5.229549      5.167218
  H      -1.457200      0.841585      4.150540
  H      -1.573754     -0.069472      5.674133
  H      -0.166398      2.411640      5.187197
  H      -0.333903      1.616465      6.769819
  H      -1.003414      6.326563      5.381188
  H      -0.927781      4.903700      4.304570
  H      -1.268009      4.935940      7.355858
  H       0.102934      4.205635      6.490090
  H      -4.269993      3.217403      8.692796
  H      -3.544581      4.680976      8.006243
  H      -2.651117      1.759921      7.664415
  H      -1.725322      3.057417      8.481004
  C      -4.084797      0.987500      4.368815
  C      -5.214094      0.009744      4.731281
  C      -6.505898      0.255970      3.911628
  C      -6.219678      0.624250      2.480067
  N      -6.108184      1.926655      2.225798
  C      -5.764495      2.295322      0.963680
  N      -5.516601      1.505975     -0.063742
  C      -5.637727      0.163358      0.164869
  C      -5.389332     -0.743922     -0.894838
  C      -5.493402     -2.102448     -0.679823
  C      -5.849451     -2.606592      0.593474
  C      -6.099714     -1.745785      1.643753
  C      -6.000986     -0.343721      1.455256
  C      -3.526512      6.303812      5.858382
  C      -3.558846      7.592641      5.018172
  C      -4.064508      7.389266      3.592632
  C      -5.516919      7.007316      3.457357
  N      -6.310824      7.160942      4.507289
  C      -7.632773      6.869071      4.347241
  N      -8.238990      6.440165      3.260730
  C      -7.440668      6.256794      2.166680
  C      -8.023099      5.786717      0.963991
  C      -7.242777      5.614288     -0.159445
  C      -5.857927      5.901478     -0.123666
  C      -5.263446      6.348402      1.039486
  C      -6.037517      6.534000      2.210466
  C      -5.927178      3.031713      6.796010
  C      -6.864440      4.174883      7.205252
  C      -8.313383      3.713902      7.339841
  C      -8.991224      3.349722      6.043747
  N      -8.325229      3.540557      4.915513
  C      -8.949896      3.219081      3.750382
  N     -10.154521      2.709692      3.602021
  C     -10.867688      2.502152      4.752449
  C     -12.174285      1.958405      4.668152
  C     -12.911390      1.741724      5.814684
  C     -12.374299      2.057681      7.082621
  C     -11.101962      2.587608      7.193079
  C     -10.320976      2.818571      6.033748
  H      -3.634271      0.708348      3.396708
  H      -4.674727      1.960508      4.102599
  H      -5.438917      0.094835      5.803280
  H      -4.834196     -1.008764      4.552706
  H      -7.152453     -0.628998      3.977420
  H      -7.052020      1.102000      4.352815
  H      -5.686631      3.372866      0.796428
  H      -5.120737     -0.335607     -1.870307
  H      -5.304719     -2.799361     -1.499529
  H      -5.929414     -3.684020      0.740900
  H      -6.378882     -2.143375      2.620086
  H      -4.559284      5.981542      6.038295
  H      -3.068955      6.540711      6.839554
  H      -2.549846      8.032388      4.970896
  H      -4.200536      8.313140      5.548233
  H      -3.917307      8.319807      3.016476
  H      -3.447991      6.628190      3.090127
  H      -8.256846      7.014619      5.233908
  H      -9.093748      5.576139      0.960617
  H      -7.693150      5.254636     -1.085557
  H      -5.258261      5.764788     -1.023506
  H      -4.196766      6.568599      1.055557
  H      -5.968782      2.227762      7.558522
  H      -6.308489      2.615978      5.853416
  H      -6.537210      4.599169      8.166107
  H      -6.789987      4.968819      6.450264
  H      -8.371827      2.851412      8.023107
  H      -8.912750      4.501873      7.826862
  H      -8.360965      3.393621      2.845665
  H     -12.569216      1.724960      3.679896
  H     -13.919590      1.323640      5.746695
  H     -12.972303      1.879787      7.977874
  H     -10.697792      2.826888      8.175645
  N      -2.650740      3.178478      3.285417
  N      -2.399310      2.774347      2.086996
  H      -2.253685      1.776512      1.889046
  H      -2.385177      3.434929      1.307670
99
Coordinates from ORCA-job orca E -6258.894461417429
  N      -3.120193      1.314841      5.348821
  Mo     -3.433684      3.340723      4.953773
  N      -4.555461      3.420543      6.595377
  C      -3.744401      3.576644      7.809513
  C      -2.430303      2.811294      7.659171
  N      -1.757165      3.139488      6.347537
  C      -0.883261      2.018827      5.893590
  C      -1.734889      0.942664      5.179975
  C      -0.989870      4.432048      6.450194
  C      -1.383942      5.308602      5.268962
  N      -2.835218      5.231434      5.184949
  H      -1.439710      0.894942      4.113149
  H      -1.541932     -0.052121      5.614706
  H      -0.153732      2.442320      5.194931
  H      -0.333882      1.621784      6.760905
  H      -1.032421      6.339863      5.431464
  H      -0.934267      4.936605      4.334379
  H      -1.296344      4.924863      7.381624
  H       0.085503      4.219964      6.520412
  H      -4.268568      3.166110      8.687759
  H      -3.556939      4.642270      8.024905
  H      -2.640510      1.739509      7.644788
  H      -1.727407      3.031425      8.478610
  C      -4.067940      0.993880      4.345693
  C      -5.186509      0.009702      4.712153
  C      -6.476810      0.250550      3.893108
  C      -6.189081      0.608392      2.460748
  N      -6.049547      1.909650      2.198271
  C      -5.698753      2.266922      0.936331
  N      -5.467886      1.468141     -0.083200
  C      -5.620356      0.126802      0.153118
  C      -5.401908     -0.790737     -0.899768
  C      -5.545597     -2.148508     -0.678410
  C      -5.908355     -2.641566      0.595296
  C      -6.127449     -1.770872      1.639293
  C      -5.991447     -0.369424      1.443837
  C      -3.554694      6.296928      5.874867
  C      -3.582569      7.594508      5.047473
  C      -4.072979      7.406871      3.616151
  C      -5.518747      7.008168      3.462984
  N      -6.322397      7.125453      4.514109
  C      -7.633734      6.807400      4.341862
  N      -8.221584      6.378885      3.243901
  C      -7.415270      6.234665      2.148718
  C      -7.980286      5.770591      0.934254
  C      -7.192426      5.642067     -0.191628
  C      -5.816206      5.967511     -0.147040
  C      -5.238294      6.407709      1.028111
  C      -6.021394      6.547889      2.202806
  C      -5.932701      3.021063      6.789425
  C      -6.862800      4.180436      7.178658
  C      -8.315296      3.734171      7.330214
  C      -9.003465      3.331642      6.044822
  N      -8.342407      3.475285      4.906146
  C      -8.976872      3.121006      3.753132
  N     -10.186554      2.620837      3.625204
  C     -10.894820      2.463199      4.784887
  C     -12.207872      1.938858      4.721308
  C     -12.943574      1.781478      5.876484
  C     -12.398394      2.138611      7.133153
  C     -11.118965      2.648695      7.223851
  C     -10.339174      2.819924      6.055132
  H      -3.622566      0.722491      3.368677
  H      -4.664148      1.964243      4.089808
  H      -5.411664      0.103557      5.782035
  H      -4.802277     -1.006983      4.541624
  H      -7.127445     -0.631093      3.964961
  H      -7.016933      1.101766      4.329962
  H      -5.598307      3.343437      0.761405
  H      -5.129280     -0.391266     -1.875913
  H      -5.383396     -2.852282     -1.493046
  H      -6.021332     -3.718816      0.747701
  H      -6.416576     -2.159619      2.615414
  H      -4.587241      5.966397      6.037347
  H      -3.112644      6.527784      6.863750
  H      -2.574904      8.036676      5.012711
  H      -4.229834      8.307770      5.578393
  H      -3.932469      8.348930      3.056497
  H      -3.442592      6.661680      3.106638
  H      -8.266650      6.924322      5.227964
  H      -9.044338      5.531237      0.923345
  H      -7.630760      5.287883     -1.126497
  H      -5.209832      5.867736     -1.049696
  H      -4.177767      6.660947      1.050070
  H      -5.988722      2.224625      7.560691
  H      -6.310223      2.597876      5.846902
  H      -6.526949      4.624508      8.130874
  H      -6.787657      4.959595      6.404970
  H      -8.378928      2.893715      8.045393
  H      -8.903959      4.545147      7.792719
  H      -8.393162      3.258192      2.841329
  H     -12.609513      1.674792      3.741270
  H     -13.957082      1.381199      5.824113
  H     -12.996015      2.009380      8.035303
  H     -10.708998      2.922002      8.197727
  N      -2.635080      3.211181      3.289678
  N      -2.366004      2.853785      2.083340
  H      -2.265049      1.864090      1.843976
  H      -2.338459      3.546395      1.330636
99
Coordinates from ORCA-job orca E -6258.894805664135
  N      -3.141798      1.303255      5.331244
  Mo     -3.449263      3.330562      4.947894
  N      -4.561424      3.409538      6.596038
  C      -3.743928      3.557697      7.806769
  C      -2.433959      2.786194      7.645112
  N      -1.765470      3.117100      6.330016
  C      -0.898291      1.992323      5.867370
  C      -1.758917      0.926222      5.147628
  C      -0.992791      4.408333      6.435177
  C      -1.387048      5.290289      5.258757
  N      -2.839571      5.217720      5.182004
  H      -1.473262      0.890624      4.077370
  H      -1.567806     -0.075200      5.569204
  H      -0.164447      2.414510      5.171275
  H      -0.353230      1.586604      6.733104
  H      -1.030695      6.320389      5.422302
  H      -0.943608      4.918513      4.320551
  H      -1.295664      4.899008      7.369609
  H       0.082724      4.192303      6.500938
  H      -4.266310      3.145943      8.686795
  H      -3.550873      4.622970      8.025662
  H      -2.648973      1.713875      7.627485
  H      -1.725337      3.000972      8.461611
  C      -4.098437      0.988252      4.333818
  C      -5.218686      0.008392      4.707095
  C      -6.504857      0.240526      3.878232
  C      -6.203868      0.604335      2.449384
  N      -6.094600      1.906496      2.189254
  C      -5.721483      2.271294      0.932818
  N      -5.435727      1.478847     -0.081235
  C      -5.553856      0.136267      0.153612
  C      -5.268744     -0.774769     -0.892503
  C      -5.371987     -2.132918     -0.672360
  C      -5.761966     -2.633714      0.593863
  C      -6.046813     -1.769478      1.631032
  C      -5.951683     -0.367880      1.436279
  C      -3.554954      6.287834      5.868889
  C      -3.572234      7.579791      5.034357
  C      -4.072771      7.385836      3.607023
  C      -5.527770      7.017248      3.462475
  N      -6.327934      7.185216      4.506351
  C      -7.649920      6.900478      4.339938
  N      -8.249155      6.458461      3.254841
  C      -7.444511      6.260087      2.167361
  C      -8.019623      5.775279      0.966131
  C      -7.233547      5.592268     -0.152188
  C      -5.849159      5.883449     -0.113271
  C      -5.261878      6.343006      1.048876
  C      -6.042193      6.536866      2.215455
  C      -5.940881      3.021037      6.794727
  C      -6.861444      4.184091      7.189776
  C      -8.316420      3.745435      7.344430
  C      -9.009808      3.350909      6.060186
  N      -8.352182      3.501415      4.919352
  C      -8.992863      3.161221      3.766640
  N     -10.205778      2.670256      3.640408
  C     -10.909358      2.504453      4.803117
  C     -12.225213      1.990480      4.742496
  C     -12.957031      1.826311      5.900249
  C     -12.405389      2.166176      7.156901
  C     -11.123368      2.666540      7.244646
  C     -10.347492      2.845031      6.073123
  H      -3.659339      0.715047      3.354151
  H      -4.691483      1.962466      4.082610
  H      -5.448998      0.111745      5.775752
  H      -4.832286     -1.009681      4.547473
  H      -7.148253     -0.646476      3.941925
  H      -7.055992      1.085594      4.311506
  H      -5.649588      3.349268      0.758961
  H      -4.975141     -0.369462     -1.862588
  H      -5.156032     -2.831937     -1.481593
  H      -5.841751     -3.711173      0.745587
  H      -6.353394     -2.164193      2.601457
  H      -4.589480      5.963304      6.031640
  H      -3.111520      6.519196      6.857191
  H      -2.558532      8.007543      4.990329
  H      -4.206505      8.305240      5.564117
  H      -3.913864      8.317818      3.036987
  H      -3.460339      6.622791      3.104326
  H      -8.280809      7.060311      5.219480
  H      -9.089994      5.563514      0.959443
  H      -7.679864      5.222311     -1.076581
  H      -5.244814      5.742637     -1.009988
  H      -4.195992      6.570167      1.067426
  H      -6.001337      2.223159      7.563496
  H      -6.324593      2.603263      5.852716
  H      -6.518957      4.623024      8.140871
  H      -6.784071      4.964421      6.418202
  H      -8.383843      2.904329      8.057622
  H      -8.899235      4.558582      7.809753
  H      -8.412666      3.306459      2.852041
  H     -12.632303      1.740250      3.762727
  H     -13.972371      1.434786      5.849920
  H     -13.000247      2.032223      8.061263
  H     -10.708561      2.927903      8.218250
  N      -2.658816      3.200817      3.276781
  N      -2.393909      2.862652      2.061671
  H      -2.307559      1.883051      1.793608
  H      -2.364500      3.569190      1.322994
99
Coordinates from ORCA-job orca E -6258.894946784185
  N      -3.145365      1.298008      5.328559
  Mo     -3.436160      3.328289      4.936480
  N      -4.553000      3.421031      6.582180
  C      -3.739752      3.568192      7.797045
  C      -2.433570      2.782009      7.641361
  N      -1.756197      3.103871      6.322441
  C      -0.895305      1.966244      5.865480
  C      -1.763644      0.909928      5.140232
  C      -0.973574      4.392743      6.424420
  C      -1.360389      5.275886      5.244535
  N      -2.814558      5.210879      5.173305
  H      -1.480744      0.881148      4.067491
  H      -1.580303     -0.097938      5.555249
  H      -0.148933      2.379264      5.173777
  H      -0.363209      1.554512      6.738111
  H      -0.995690      6.304831      5.402013
  H      -0.923230      4.894586      4.306182
  H      -1.275313      4.887016      7.358864
  H       0.103086      4.167971      6.489526
  H      -4.271143      3.165703      8.679962
  H      -3.539367      4.635672      8.009672
  H      -2.657926      1.709044      7.626849
  H      -1.725725      2.993866      8.459020
  C      -4.104694      0.986525      4.330544
  C      -5.231821      0.015675      4.713647
  C      -6.516481      0.233258      3.874950
  C      -6.214501      0.569862      2.439037
  N      -6.132908      1.865970      2.150570
  C      -5.769568      2.208748      0.885708
  N      -5.466129      1.398989     -0.110480
  C      -5.555653      0.060875      0.154277
  C      -5.250678     -0.867996     -0.871811
  C      -5.324119     -2.221044     -0.622352
  C      -5.703576     -2.699662      0.654475
  C      -6.009457     -1.817622      1.672008
  C      -5.943700     -0.420574      1.446724
  C      -3.520675      6.279077      5.876427
  C      -3.547079      7.577256      5.050272
  C      -4.086505      7.395716      3.631985
  C      -5.548781      7.040642      3.523617
  N      -6.318749      7.210471      4.590190
  C      -7.647300      6.938632      4.454810
  N      -8.278358      6.507790      3.383198
  C      -7.504751      6.305273      2.275509
  C      -8.114901      5.828074      1.088692
  C      -7.360756      5.641009     -0.050154
  C      -5.973433      5.920440     -0.047458
  C      -5.352237      6.371289      1.099996
  C      -6.099925      6.568419      2.287935
  C      -5.938711      3.050474      6.774946
  C      -6.851726      4.223467      7.158636
  C      -8.311068      3.796599      7.296977
  C      -8.989902      3.408866      6.005241
  N      -8.321566      3.576173      4.873539
  C      -8.947191      3.237198      3.713039
  N     -10.153638      2.729961      3.570861
  C     -10.866281      2.541916      4.725047
  C     -12.172537      1.998187      4.649614
  C     -12.910979      1.805277      5.799330
  C     -12.376589      2.146791      7.062632
  C     -11.104477      2.676242      7.164530
  C     -10.321519      2.882259      6.001654
  H      -3.662900      0.703410      3.354423
  H      -4.690635      1.965601      4.069658
  H      -5.469001      0.137424      5.780260
  H      -4.844604     -1.006474      4.575170
  H      -7.158628     -0.653820      3.954373
  H      -7.071851      1.085787      4.290116
  H      -5.723851      3.283215      0.687926
  H      -4.965634     -0.479803     -1.850273
  H      -5.091725     -2.933993     -1.416255
  H      -5.758485     -3.773391      0.829576
  H      -6.306330     -2.194922      2.650629
  H      -4.553532      5.954910      6.051226
  H      -3.062915      6.500190      6.860869
  H      -2.529822      7.994982      4.982311
  H      -4.161248      8.306077      5.601641
  H      -3.933389      8.328920      3.061676
  H      -3.492130      6.628943      3.110800
  H      -8.252733      7.099341      5.352569
  H      -9.186272      5.625037      1.109537
  H      -7.833920      5.276517     -0.962783
  H      -5.394498      5.777239     -0.960958
  H      -4.284371      6.589643      1.090686
  H      -6.013943      2.256691      7.546194
  H      -6.319964      2.633711      5.830669
  H      -6.514065      4.660649      8.111042
  H      -6.760108      5.000328      6.386591
  H      -8.392123      2.955665      8.006798
  H      -8.894996      4.613284      7.755800
  H      -8.358951      3.400120      2.804725
  H     -12.566601      1.746133      3.665128
  H     -13.918242      1.388037      5.737930
  H     -12.976535      1.989921      7.960463
  H     -10.702136      2.937093      8.143110
  N      -2.640478      3.181225      3.272162
  N      -2.374493      2.856565      2.052713
  H      -2.327558      1.876796      1.755816
  H      -2.340873      3.570394      1.323584
99
Coordinates from ORCA-job orca E -6258.895139193036
  N      -3.140845      1.306424      5.302635
  Mo     -3.445170      3.335354      4.938740
  N      -4.554035      3.402174      6.586909
  C      -3.737628      3.529320      7.800562
  C      -2.430338      2.754720      7.629195
  N      -1.760427      3.102927      6.317075
  C      -0.894631      1.980120      5.841463
  C      -1.757986      0.933112      5.098935
  C      -0.987216      4.393650      6.440314
  C      -1.379411      5.289990      5.273609
  N      -2.832603      5.216789      5.198835
  H      -1.483227      0.929975      4.025037
  H      -1.564682     -0.080184      5.491169
  H      -0.151632      2.408645      5.158505
  H      -0.360826      1.558016      6.706655
  H      -1.021328      6.318368      5.444477
  H      -0.940093      4.923263      4.331136
  H      -1.293653      4.870367      7.380938
  H       0.089777      4.176461      6.504477
  H      -4.264210      3.109321      8.674001
  H      -3.540825      4.590924      8.033413
  H      -2.649563      1.683782      7.593927
  H      -1.720334      2.954031      8.448036
  C      -4.103777      0.999920      4.306132
  C      -5.222385      0.020549      4.687021
  C      -6.509363      0.229793      3.851109
  C      -6.211081      0.557089      2.412958
  N      -6.128416      1.851170      2.114994
  C      -5.761158      2.184719      0.848711
  N      -5.453146      1.367446     -0.139566
  C      -5.545455      0.030616      0.134969
  C      -5.236608     -0.906480     -0.882311
  C      -5.315799     -2.258392     -0.623104
  C      -5.704187     -2.727557      0.655147
  C      -6.011866     -1.837108      1.664434
  C      -5.939981     -0.441210      1.428903
  C      -3.547625      6.280319      5.900264
  C      -3.571251      7.578858      5.075008
  C      -4.095610      7.393716      3.653545
  C      -5.555944      7.037411      3.530903
  N      -6.339738      7.218634      4.585281
  C      -7.667039      6.948896      4.436276
  N      -8.285153      6.511029      3.360529
  C      -7.497340      6.295881      2.264543
  C      -8.093262      5.809519      1.073968
  C      -7.323547      5.606858     -0.052111
  C      -5.934692      5.880330     -0.032941
  C      -5.327655      6.341228      1.118313
  C      -6.091599      6.554389      2.293238
  C      -5.943507      3.044301      6.777035
  C      -6.842801      4.223277      7.167852
  C      -8.306100      3.812841      7.307360
  C      -8.988003      3.424925      6.017947
  N      -8.317944      3.570793      4.884163
  C      -8.946355      3.221548      3.727087
  N     -10.155838      2.720179      3.590563
  C     -10.869631      2.554043      4.746916
  C     -12.177875      2.013448      4.678470
  C     -12.916663      1.840640      5.831134
  C     -12.381072      2.200522      7.090516
  C     -11.106804      2.726232      7.185576
  C     -10.322941      2.909811      6.019704
  H      -3.665184      0.729884      3.325724
  H      -4.696379      1.976829      4.057358
  H      -5.458300      0.139964      5.753075
  H      -4.828918     -0.997857      4.547341
  H      -7.149295     -0.658078      3.936869
  H      -7.065286      1.083665      4.262579
  H      -5.714408      3.258067      0.643051
  H      -4.944703     -0.525516     -1.862297
  H      -5.081257     -2.977902     -1.410454
  H      -5.764246     -3.800688      0.837835
  H      -6.315841     -2.206992      2.644468
  H      -4.580155      5.950913      6.066239
  H      -3.098524      6.501376      6.888495
  H      -2.554537      7.998141      5.014451
  H      -4.190041      8.306850      5.619578
  H      -3.936460      8.325393      3.082019
  H      -3.495628      6.625899      3.142129
  H      -8.283706      7.120709      5.324197
  H      -9.166018      5.610911      1.081991
  H      -7.785681      5.234417     -0.967609
  H      -5.343638      5.724999     -0.936617
  H      -4.258469      6.554696      1.122226
  H      -6.028044      2.246912      7.542052
  H      -6.329209      2.639065      5.831281
  H      -6.498918      4.652625      8.119618
  H      -6.743920      5.000834      6.399178
  H      -8.397327      2.977302      8.020984
  H      -8.881388      4.637975      7.760687
  H      -8.356278      3.361882      2.817729
  H     -12.572884      1.746276      3.696819
  H     -13.925289      1.424081      5.775363
  H     -12.981460      2.059628      7.990676
  H     -10.702951      3.000269      8.161083
  N      -2.653289      3.219980      3.274141
  N      -2.377635      2.934320      2.048202
  H      -2.351569      1.963721      1.718903
  H      -2.355533      3.666427      1.337079
99
Coordinates from ORCA-job orca E -6258.895241842167
  N      -3.131635      1.300718      5.294818
  Mo     -3.440839      3.329704      4.936724
  N      -4.547018      3.390884      6.587303
  C      -3.732330      3.518882      7.802206
  C      -2.424014      2.746370      7.628812
  N      -1.754928      3.097451      6.315805
  C      -0.887576      1.976275      5.837895
  C      -1.747675      0.932605      5.087695
  C      -0.984598      4.389450      6.442042
  C      -1.379306      5.287476      5.277152
  N      -2.832340      5.210842      5.202761
  H      -1.473615      0.939924      4.013220
  H      -1.551488     -0.083311      5.471811
  H      -0.141669      2.407524      5.159614
  H      -0.357513      1.549953      6.703607
  H      -1.023756      6.316058      5.449402
  H      -0.939204      4.922392      4.334437
  H      -1.293439      4.863310      7.383535
  H       0.092161      4.174562      6.505346
  H      -4.258515      3.096334      8.675090
  H      -3.538260      4.580908      8.036956
  H      -2.642369      1.675046      7.591490
  H      -1.714063      2.945117      8.447711
  C      -4.094529      0.994442      4.298655
  C      -5.209489      0.013678      4.683309
  C      -6.494326      0.219240      3.845547
  C      -6.191821      0.543573      2.407594
  N      -6.105707      1.837890      2.107160
  C      -5.734289      2.169009      0.841806
  N      -5.424375      1.349890     -0.142745
  C      -5.519891      0.012890      0.134183
  C      -5.211729     -0.925916     -0.879757
  C      -5.296911     -2.278245     -0.618535
  C      -5.689927     -2.745161      0.658430
  C      -5.996342     -1.852859      1.664819
  C      -5.919138     -0.456902      1.427233
  C      -3.548780      6.273036      5.903649
  C      -3.573511      7.571993      5.079300
  C      -4.106227      7.386729      3.661061
  C      -5.569547      7.041238      3.548096
  N      -6.346259      7.235235      4.605801
  C      -7.676570      6.977560      4.464663
  N      -8.305206      6.542254      3.393238
  C      -7.525349      6.314574      2.293876
  C      -8.132517      5.829745      1.108250
  C      -7.369971      5.611927     -0.020154
  C      -5.978418      5.870172     -0.008644
  C      -5.360628      6.331095      1.137390
  C      -6.116229      6.558021      2.315120
  C      -5.938612      3.038716      6.773943
  C      -6.839740      4.227299      7.142063
  C      -8.305341      3.820306      7.284811
  C      -8.988012      3.410500      5.999402
  N      -8.317654      3.537569      4.863085
  C      -8.949382      3.181785      3.709978
  N     -10.163641      2.693980      3.579282
  C     -10.878662      2.550432      4.737354
  C     -12.193717      2.034953      4.673436
  C     -12.935521      1.891125      5.827367
  C     -12.396200      2.255367      7.083322
  C     -11.115423      2.757444      7.174094
  C     -10.328077      2.912247      6.006690
  H      -3.655821      0.726560      3.317706
  H      -4.689636      1.970699      4.051222
  H      -5.446708      0.136990      5.748317
  H      -4.814080     -1.004407      4.547877
  H      -7.135224     -0.667998      3.932510
  H      -7.049859      1.074453      4.253312
  H      -5.686375      3.242607      0.633924
  H      -4.916946     -0.546623     -1.858916
  H      -5.064064     -2.999229     -1.403345
  H      -5.755175     -3.818776      0.842491
  H      -6.304974     -2.221253      2.643872
  H      -4.581054      5.941892      6.069707
  H      -3.100221      6.494284      6.892189
  H      -2.555854      7.988058      5.012685
  H      -4.186625      8.302464      5.626899
  H      -3.943343      8.315365      3.085803
  H      -3.514013      6.612612      3.149735
  H      -8.286235      7.159281      5.355605
  H      -9.207534      5.643346      1.121800
  H      -7.840492      5.240484     -0.932207
  H      -5.393985      5.704390     -0.914755
  H      -4.289872      6.534569      1.134423
  H      -6.028164      2.251779      7.550681
  H      -6.319476      2.619035      5.829868
  H      -6.495706      4.674568      8.088871
  H      -6.740245      4.993389      6.358865
  H      -8.400515      2.997335      8.015428
  H      -8.879341      4.656912      7.719745
  H      -8.359441      3.305129      2.799057
  H     -12.591901      1.765718      3.694401
  H     -13.949418      1.495784      5.774979
  H     -12.999603      2.138213      7.984174
  H     -10.709358      3.037669      8.146549
  N      -2.643752      3.222079      3.272567
  N      -2.352293      2.967045      2.043307
  H      -2.326516      2.008410      1.689559
  H      -2.336988      3.716569      1.348512
99
Coordinates from ORCA-job orca E -6258.895345636255
  N      -3.129531      1.297100      5.286885
  Mo     -3.436896      3.328293      4.931534
  N      -4.542289      3.387796      6.581542
  C      -3.728949      3.511598      7.797725
  C      -2.421116      2.738031      7.622951
  N      -1.750521      3.091250      6.310608
  C      -0.884594      1.969308      5.831006
  C      -1.745538      0.929907      5.076128
  C      -0.979121      4.382497      6.439058
  C      -1.374660      5.283011      5.275802
  N      -2.828308      5.207690      5.203656
  H      -1.472518      0.943947      4.001319
  H      -1.549138     -0.088371      5.454300
  H      -0.136077      2.400761      5.155581
  H      -0.357581      1.539040      6.696716
  H      -1.017599      6.311078      5.447511
  H      -0.936647      4.916614      4.332682
  H      -1.287054      4.854064      7.382088
  H       0.097790      4.166735      6.499837
  H      -4.257070      3.087502      8.668849
  H      -3.534020      4.573107      8.035074
  H      -2.641111      1.667042      7.582283
  H      -1.711153      2.933679      8.442472
  C      -4.093336      0.993236      4.290515
  C      -5.207597      0.012466      4.677094
  C      -6.491442      0.211062      3.836417
  C      -6.187162      0.522643      2.395841
  N      -6.107693      1.814241      2.082669
  C      -5.734764      2.134288      0.814819
  N      -5.416413      1.307147     -0.160440
  C      -5.504390     -0.027476      0.129774
  C      -5.186387     -0.974402     -0.873627
  C      -5.263405     -2.324326     -0.598798
  C      -5.658365     -2.780289      0.681383
  C      -5.974613     -1.879753      1.677787
  C      -5.905579     -0.486094      1.426331
  C      -3.540048      6.269061      5.910596
  C      -3.568316      7.569378      5.088564
  C      -4.118911      7.386269      3.676169
  C      -5.586772      7.054553      3.581967
  N      -6.349098      7.264059      4.647209
  C      -7.683326      7.019222      4.523122
  N      -8.329032      6.584379      3.462166
  C      -7.564338      6.339194      2.356146
  C      -8.190111      5.851494      1.181937
  C      -7.442377      5.613242      0.047819
  C      -6.047866      5.853549      0.042242
  C      -5.412107      6.317863      1.176785
  C      -6.152265      6.566089      2.359814
  C      -5.937068      3.045891      6.764321
  C      -6.831089      4.241195      7.126719
  C      -8.299888      3.845352      7.260617
  C      -8.975611      3.436724      5.971855
  N      -8.297738      3.559283      4.839666
  C      -8.922499      3.200370      3.684001
  N     -10.136988      2.714393      3.547194
  C     -10.859636      2.574413      4.700825
  C     -12.174190      2.056925      4.630531
  C     -12.922174      1.913951      5.780522
  C     -12.390166      2.281813      7.038513
  C     -11.110317      2.786431      7.135422
  C     -10.316224      2.939523      5.972318
  H      -3.653954      0.726257      3.309725
  H      -4.687923      1.969846      4.042509
  H      -5.446826      0.139266      5.741373
  H      -4.809973     -1.005566      4.546562
  H      -7.131810     -0.675960      3.930365
  H      -7.048308      1.069537      4.235747
  H      -5.693680      3.206039      0.596381
  H      -4.890366     -0.603410     -1.855569
  H      -5.022696     -3.051867     -1.375429
  H      -5.716935     -3.852098      0.876049
  H      -6.284187     -2.239915      2.659530
  H      -4.571383      5.938512      6.082888
  H      -3.084996      6.487703      6.896696
  H      -2.549570      7.980772      5.010733
  H      -4.171914      8.302425      5.643748
  H      -3.954503      8.311504      3.096105
  H      -3.539158      6.604880      3.161124
  H      -8.279718      7.211966      5.420780
  H      -9.266826      5.678118      1.208729
  H      -7.926825      5.239263     -0.855564
  H      -5.475465      5.671181     -0.868405
  H      -4.338780      6.507047      1.160503
  H      -6.034490      2.261186      7.542064
  H      -6.317270      2.627578      5.819692
  H      -6.489472      4.686406      8.074635
  H      -6.721650      5.005452      6.343814
  H      -8.405966      3.025303      7.992197
  H      -8.871501      4.686987      7.688494
  H      -8.326572      3.320009      2.776101
  H     -12.566615      1.784683      3.650031
  H     -13.935373      1.516003      5.723457
  H     -12.998515      2.165297      7.936082
  H     -10.709775      3.069136      8.109382
  N      -2.641405      3.223105      3.266492
  N      -2.348023      2.984729      2.034283
  H      -2.338395      2.031122      1.664552
  H      -2.338642      3.743171      1.348756
99
Coordinates from ORCA-job orca E -6258.895456455111
  N      -3.112674      1.284265      5.273657
  Mo     -3.417050      3.322659      4.916943
  N      -4.522323      3.382776      6.564037
  C      -3.714250      3.499950      7.784272
  C      -2.406160      2.725466      7.609693
  N      -1.730710      3.080120      6.298817
  C      -0.866920      1.956045      5.819179
  C      -1.727970      0.920253      5.059720
  C      -0.957579      4.370645      6.426894
  C      -1.357121      5.273010      5.264520
  N      -2.812332      5.199698      5.199959
  H      -1.453987      0.941417      3.984936
  H      -1.530389     -0.100316      5.432317
  H      -0.115188      2.386874      5.146605
  H      -0.343551      1.521767      6.685444
  H      -0.997060      6.300680      5.431283
  H      -0.924014      4.900870      4.321654
  H      -1.261466      4.839673      7.372689
  H       0.119911      4.153694      6.479940
  H      -4.247695      3.072733      8.650786
  H      -3.519151      4.560660      8.026184
  H      -2.628343      1.655003      7.563905
  H      -1.697451      2.917093      8.430989
  C      -4.075437      0.983424      4.274353
  C      -5.188043      0.001272      4.662939
  C      -6.469661      0.183924      3.815825
  C      -6.161501      0.460866      2.368424
  N      -6.094401      1.744374      2.021424
  C      -5.720894      2.033063      0.745807
  N      -5.389914      1.183774     -0.206326
  C      -5.463919     -0.143448      0.119393
  C      -5.130413     -1.112895     -0.857252
  C      -5.191885     -2.455501     -0.545584
  C      -5.587785     -2.880466      0.744830
  C      -5.919654     -1.957141      1.715894
  C      -5.865655     -0.570329      1.427070
  C      -3.510611      6.257400      5.925147
  C      -3.558638      7.559367      5.107137
  C      -4.169932      7.377157      3.718260
  C      -5.648799      7.081910      3.691070
  N      -6.359985      7.336046      4.781660
  C      -7.704126      7.125740      4.718342
  N      -8.405917      6.690914      3.694828
  C      -7.695325      6.398419      2.564986
  C      -8.383237      5.904507      1.430142
  C      -7.689293      5.609588      0.275486
  C      -6.289260      5.799295      0.209695
  C      -5.593547      6.272670      1.304026
  C      -6.277610      6.579431      2.506608
  C      -5.924579      3.063923      6.734161
  C      -6.802086      4.275879      7.077017
  C      -8.279402      3.909090      7.179093
  C      -8.930596      3.510221      5.876617
  N      -8.226989      3.626811      4.759744
  C      -8.829032      3.272068      3.592110
  N     -10.045550      2.797673      3.430107
  C     -10.794926      2.661916      4.567520
  C     -12.111055      2.149055      4.470464
  C     -12.882290      2.005578      5.605317
  C     -12.373851      2.370550      6.873396
  C     -11.093864      2.871970      6.996112
  C     -10.274932      3.023019      5.849566
  H      -3.631137      0.718783      3.295285
  H      -4.670205      1.959271      4.021627
  H      -5.431845      0.132632      5.726160
  H      -4.784431     -1.016047      4.540537
  H      -7.109808     -0.701359      3.928850
  H      -7.028578      1.051418      4.192970
  H      -5.690342      3.099354      0.499896
  H      -4.834188     -0.765434     -1.847880
  H      -4.938520     -3.201187     -1.301320
  H      -5.633786     -3.946862      0.968166
  H      -6.228921     -2.294120      2.706023
  H      -4.537217      5.926099      6.121908
  H      -3.032753      6.473131      6.900906
  H      -2.540255      7.962289      4.990108
  H      -4.134651      8.297381      5.685420
  H      -4.008860      8.290791      3.119660
  H      -3.629079      6.575054      3.191987
  H      -8.254322      7.350808      5.637745
  H      -9.462500      5.767507      1.503661
  H      -8.220373      5.229680     -0.598076
  H      -5.760415      5.570962     -0.717159
  H      -4.515287      6.421755      1.240193
  H      -6.041592      2.286837      7.515965
  H      -6.299887      2.645981      5.788241
  H      -6.472617      4.715480      8.030336
  H      -6.662446      5.035969      6.296341
  H      -8.417835      3.093775      7.908692
  H      -8.846513      4.761674      7.589838
  H      -8.212000      3.387399      2.696247
  H     -12.484869      1.878825      3.482400
  H     -13.895962      1.608795      5.528287
  H     -13.000707      2.253855      7.758512
  H     -10.711520      3.151976      7.977781
  N      -2.626716      3.219581      3.251842
  N      -2.329327      3.014922      2.013509
  H      -2.341533      2.070506      1.616266
  H      -2.343406      3.791079      1.346266
99
Coordinates from ORCA-job orca E -6258.895582798898
  N      -3.115505      1.280397      5.268980
  Mo     -3.419669      3.319717      4.916386
  N      -4.525679      3.377556      6.563496
  C      -3.718592      3.493758      7.784327
  C      -2.410288      2.719405      7.609409
  N      -1.733780      3.074565      6.299013
  C      -0.870282      1.950100      5.819206
  C      -1.730615      0.917157      5.054980
  C      -0.959946      4.364686      6.428426
  C      -1.359048      5.268379      5.267008
  N      -2.814471      5.196314      5.202546
  H      -1.455563      0.942822      3.980456
  H      -1.533137     -0.104935      5.423850
  H      -0.115586      2.380904      5.149599
  H      -0.350109      1.512849      6.686015
  H      -0.998327      6.295771      5.434809
  H      -0.925859      4.896837      4.323867
  H      -1.263624      4.833324      7.374598
  H       0.117515      4.147051      6.481186
  H      -4.252530      3.064829      8.650219
  H      -3.524086      4.554549      8.028110
  H      -2.632592      1.648661      7.563281
  H      -1.702044      2.910732      8.431222
  C      -4.077734      0.981347      4.268589
  C      -5.190897     -0.000669      4.655292
  C      -6.469428      0.180746      3.803215
  C      -6.155224      0.455765      2.356535
  N      -6.091098      1.738684      2.006912
  C      -5.713818      2.025441      0.732332
  N      -5.375714      1.175114     -0.216192
  C      -5.446048     -0.151497      0.112189
  C      -5.104998     -1.122027     -0.860554
  C      -5.163114     -2.464003     -0.546155
  C      -5.563298     -2.887154      0.743058
  C      -5.902698     -1.962783      1.710391
  C      -5.851988     -0.576567      1.418864
  C      -3.511796      6.255299      5.926306
  C      -3.555995      7.557127      5.107955
  C      -4.165927      7.377606      3.718571
  C      -5.646333      7.091490      3.688707
  N      -6.358234      7.352994      4.777046
  C      -7.704142      7.154723      4.710293
  N      -8.407344      6.726771      3.684301
  C      -7.696091      6.427848      2.556193
  C      -8.385634      5.943159      1.418111
  C      -7.690488      5.638682      0.266570
  C      -6.287864      5.810064      0.207047
  C      -5.590900      6.276413      1.303835
  C      -6.275963      6.592594      2.503287
  C      -5.929119      3.062447      6.732867
  C      -6.804293      4.276473      7.073038
  C      -8.282330      3.913283      7.180144
  C      -8.937043      3.501385      5.882793
  N      -8.233813      3.594460      4.763733
  C      -8.838845      3.220609      3.602354
  N     -10.058213      2.751712      3.448141
  C     -10.807173      2.641172      4.587415
  C     -12.126053      2.134334      4.498336
  C     -12.896595      2.013066      5.635613
  C     -12.384428      2.394160      6.898244
  C     -11.101631      2.890324      7.013144
  C     -10.283485      3.019721      5.863819
  H      -3.632826      0.717898      3.289459
  H      -4.671948      1.957576      4.016831
  H      -5.438168      0.131898      5.717644
  H      -4.786316     -1.017968      4.535492
  H      -7.110162     -0.704360      3.915061
  H      -7.029756      1.048820      4.177070
  H      -5.687281      3.091180      0.483861
  H      -4.805880     -0.775984     -1.850425
  H      -4.903794     -3.210567     -1.298887
  H      -5.606740     -3.953097      0.968559
  H      -6.215443     -2.298520      2.699498
  H      -4.539375      5.925804      6.121776
  H      -3.035145      6.470833      6.902796
  H      -2.536302      7.957305      4.992257
  H      -4.130623      8.296631      5.685626
  H      -3.998746      8.290213      3.120067
  H      -3.628960      6.572447      3.193154
  H      -8.254747      7.384853      5.628237
  H      -9.466812      5.818882      1.487253
  H      -8.222788      5.264937     -0.609097
  H      -5.758157      5.574526     -0.717373
  H      -4.510914      6.413114      1.243992
  H      -6.047732      2.287523      7.516450
  H      -6.305372      2.642631      5.788239
  H      -6.472542      4.718973      8.024019
  H      -6.664897      5.033547      6.289626
  H      -8.421753      3.105569      7.918179
  H      -8.846757      4.771734      7.582402
  H      -8.222462      3.314013      2.705314
  H     -12.502282      1.850602      3.514435
  H     -13.912477      1.620679      5.564798
  H     -13.010642      2.294342      7.785411
  H     -10.716633      3.182812      7.990554
  N      -2.627644      3.220724      3.251757
  N      -2.327064      3.028781      2.012049
  H      -2.347465      2.089645      1.604297
  H      -2.346251      3.810971      1.353315
99
Coordinates from ORCA-job orca E -6258.895682724373
  N      -3.106176      1.271147      5.266101
  Mo     -3.413212      3.311457      4.912798
  N      -4.520712      3.369894      6.558432
  C      -3.715337      3.486919      7.779953
  C      -2.405569      2.715178      7.605919
  N      -1.728083      3.069516      6.296489
  C      -0.863189      1.945947      5.818599
  C      -1.720794      0.911829      5.052514
  C      -0.955756      4.360269      6.424642
  C      -1.356347      5.262213      5.262767
  N      -2.811793      5.189362      5.199154
  H      -1.445022      0.938866      3.978471
  H      -1.520725     -0.109747      5.420593
  H      -0.107833      2.376955      5.150411
  H      -0.344077      1.509392      6.686127
  H      -0.996503      6.290004      5.429712
  H      -0.922840      4.890544      4.320032
  H      -1.258392      4.829255      7.370820
  H       0.121713      4.144103      6.476227
  H      -4.249042      3.055500      8.644520
  H      -3.523386      4.547743      8.025619
  H      -2.625727      1.644138      7.560545
  H      -1.698477      2.908625      8.428347
  C      -4.066999      0.970102      4.264935
  C      -5.178547     -0.013581      4.650687
  C      -6.455688      0.166171      3.797240
  C      -6.138980      0.440554      2.351424
  N      -6.076155      1.723385      2.000799
  C      -5.692668      2.009487      0.727751
  N      -5.347259      1.159160     -0.217970
  C      -5.416202     -0.167300      0.111598
  C      -5.066114     -1.137980     -0.857622
  C      -5.122843     -2.479725     -0.541638
  C      -5.530917     -2.902513      0.745612
  C      -5.878437     -1.978023      1.709675
  C      -5.828849     -0.592022      1.416597
  C      -3.506474      6.248205      5.925399
  C      -3.555723      7.549049      5.105769
  C      -4.181548      7.369421      3.724110
  C      -5.664931      7.096690      3.711544
  N      -6.363310      7.373830      4.804960
  C      -7.711620      7.189351      4.753540
  N      -8.429224      6.761837      3.737454
  C      -7.732216      6.446422      2.604378
  C      -8.437870      5.961781      1.476229
  C      -7.756966      5.638702      0.320906
  C      -6.352803      5.790983      0.247586
  C      -5.640439      6.258231      1.334069
  C      -6.310953      6.593704      2.536934
  C      -5.925922      3.060363      6.724420
  C      -6.798148      4.280560      7.050832
  C      -8.279081      3.926566      7.153800
  C      -8.933212      3.507397      5.857900
  N      -8.226480      3.583646      4.739197
  C      -8.832982      3.204207      3.580088
  N     -10.057829      2.748500      3.427635
  C     -10.810984      2.657885      4.566316
  C     -12.136456      2.168051      4.478616
  C     -12.910876      2.065754      5.615504
  C     -12.396148      2.449734      6.876146
  C     -11.107231      2.930480      6.989471
  C     -10.285058      3.040419      5.840535
  H      -3.620768      0.707420      3.286193
  H      -4.662216      1.944861      4.011729
  H      -5.426781      0.118290      5.712546
  H      -4.772284     -1.029976      4.530951
  H      -7.096157     -0.719097      3.908383
  H      -7.016648      1.034014      4.169607
  H      -5.667514      3.075091      0.478133
  H      -4.760946     -0.792267     -1.846163
  H      -4.856411     -3.226430     -1.291603
  H      -5.573682     -3.968357      0.972326
  H      -6.197513     -2.313636      2.697149
  H      -4.532755      5.918687      6.126918
  H      -3.025028      6.465403      6.899020
  H      -2.536434      7.946574      4.979353
  H      -4.122935      8.290185      5.688204
  H      -4.013498      8.278088      3.119780
  H      -3.657264      6.557733      3.196220
  H      -8.250575      7.431939      5.675261
  H      -9.519630      5.850610      1.556359
  H      -8.301822      5.264337     -0.546770
  H      -5.834095      5.540481     -0.679474
  H      -4.559188      6.381062      1.262800
  H      -6.049269      2.291816      7.513942
  H      -6.299775      2.633735      5.781555
  H      -6.469357      4.728954      8.000890
  H      -6.651363      5.032093      6.262695
  H      -8.426963      3.126091      7.898560
  H      -8.839553      4.792110      7.546167
  H      -8.212822      3.278266      2.683816
  H     -12.514167      1.881713      3.496120
  H     -13.931792      1.686348      5.545775
  H     -13.025279      2.364900      7.763188
  H     -10.720762      3.225771      7.965380
  N      -2.622171      3.214937      3.248582
  N      -2.322174      3.033580      2.006299
  H      -2.352353      2.098012      1.590000
  H      -2.349102      3.822779      1.355909
99
Coordinates from ORCA-job orca E -6258.895862459864
  N      -3.083870      1.255640      5.267389
  Mo     -3.397777      3.296933      4.908946
  N      -4.509212      3.359263      6.551317
  C      -3.705442      3.482039      7.772515
  C      -2.391882      2.716488      7.601695
  N      -1.713729      3.065947      6.293045
  C      -0.844924      1.943781      5.821467
  C      -1.697300      0.902181      5.058644
  C      -0.944238      4.358921      6.414141
  C      -1.348121      5.254614      5.249692
  N      -2.803853      5.179734      5.189498
  H      -1.418930      0.922732      3.985619
  H      -1.492688     -0.115839      5.433340
  H      -0.090935      2.373951      5.151710
  H      -0.324191      1.513682      6.690855
  H      -0.990209      6.283816      5.413883
  H      -0.914365      4.883009      4.307339
  H      -1.243304      4.831669      7.359331
  H       0.133754      4.145887      6.464111
  H      -4.236858      3.047107      8.636450
  H      -3.519335      4.543615      8.019320
  H      -2.606134      1.644236      7.562264
  H      -1.687039      2.917953      8.424509
  C      -4.040552      0.947910      4.264143
  C      -5.151122     -0.039206      4.643916
  C      -6.424363      0.141529      3.784632
  C      -6.099795      0.414177      2.340337
  N      -6.035765      1.696411      1.987039
  C      -5.643613      1.979658      0.715677
  N      -5.292111      1.127350     -0.226074
  C      -5.363522     -0.198508      0.106266
  C      -5.007645     -1.172053     -0.858116
  C      -5.066777     -2.513205     -0.538821
  C      -5.482846     -2.933267      0.747213
  C      -5.836000     -2.006280      1.706399
  C      -5.783953     -0.620545      1.409807
  C      -3.494009      6.238928      5.919820
  C      -3.557965      7.535536      5.094721
  C      -4.219778      7.352508      3.731842
  C      -5.707073      7.098945      3.759661
  N      -6.374316      7.400668      4.865897
  C      -7.725836      7.234910      4.851459
  N      -8.473694      6.803601      3.859117
  C      -7.809369      6.463923      2.712584
  C      -8.549155      5.976027      1.607783
  C      -7.901914      5.627975      0.440036
  C      -6.497358      5.756807      0.330593
  C      -5.752202      6.226595      1.393774
  C      -6.388656      6.588742      2.608441
  C      -5.915895      3.053158      6.713425
  C      -6.785515      4.279301      7.020973
  C      -8.271326      3.939727      7.111495
  C      -8.918418      3.514234      5.814093
  N      -8.197249      3.560196      4.702514
  C      -8.799948      3.179727      3.541899
  N     -10.035351      2.755992      3.380972
  C     -10.803900      2.700587      4.512194
  C     -12.142908      2.252345      4.414290
  C     -12.933615      2.187784      5.542839
  C     -12.421737      2.569499      6.804911
  C     -11.119975      3.010301      6.927807
  C     -10.281701      3.082041      5.787552
  H      -3.590742      0.685862      3.286712
  H      -4.638028      1.919174      4.007808
  H      -5.403606      0.089729      5.705259
  H      -4.742178     -1.054452      4.522906
  H      -7.066799     -0.742665      3.892977
  H      -6.985715      1.010519      4.154093
  H      -5.615685      3.044696      0.463435
  H      -4.696424     -0.828760     -1.845846
  H      -4.795597     -3.261798     -1.285018
  H      -5.527861     -3.998874      0.976764
  H      -6.162484     -2.339929      2.692295
  H      -4.516901      5.908509      6.135667
  H      -3.001517      6.462763      6.886194
  H      -2.540977      7.929403      4.943019
  H      -4.110340      8.279430      5.687097
  H      -4.057060      8.254344      3.115507
  H      -3.719752      6.531139      3.196163
  H      -8.239177      7.498614      5.782088
  H      -9.630080      5.880929      1.716049
  H      -8.473896      5.250895     -0.409074
  H      -6.004161      5.486033     -0.605270
  H      -4.670823      6.331146      1.293799
  H      -6.043946      2.293724      7.510909
  H      -6.285894      2.615713      5.773900
  H      -6.464714      4.733591      7.971724
  H      -6.625115      5.025170      6.229591
  H      -8.435825      3.148471      7.863549
  H      -8.826338      4.815230      7.489946
  H      -8.166714      3.223894      2.652137
  H     -12.517365      1.967195      3.430462
  H     -13.965180      1.841569      5.465115
  H     -13.063207      2.515385      7.685573
  H     -10.736940      3.305402      7.905020
  N      -2.611232      3.202822      3.244670
  N      -2.319493      3.026343      1.997600
  H      -2.350987      2.091665      1.580210
  H      -2.362204      3.820442      1.353804
99
Coordinates from ORCA-job orca E -6258.896010025326
  N      -3.058545      1.241039      5.265495
  Mo     -3.383040      3.281221      4.905991
  N      -4.496642      3.343280      6.545649
  C      -3.693275      3.472384      7.765960
  C      -2.374954      2.713960      7.597102
  N      -1.697924      3.061206      6.288082
  C      -0.823654      1.941811      5.820672
  C      -1.670236      0.894180      5.059565
  C      -0.933408      4.357588      6.403619
  C      -1.342093      5.248363      5.237562
  N      -2.798032      5.168742      5.181537
  H      -1.391080      0.911993      3.986810
  H      -1.460344     -0.121436      5.437969
  H      -0.070999      2.372873      5.150015
  H      -0.301417      1.517046      6.691790
  H      -0.987655      6.279195      5.399681
  H      -0.908880      4.878156      4.294557
  H      -1.230454      4.832291      7.348421
  H       0.145670      4.149462      6.452191
  H      -4.221533      3.034310      8.630643
  H      -3.513657      4.535239      8.012782
  H      -2.582340      1.640170      7.563149
  H      -1.672412      2.923409      8.419980
  C      -4.011701      0.925849      4.261152
  C      -5.118741     -0.066748      4.636138
  C      -6.388167      0.110623      3.770470
  C      -6.057291      0.378705      2.326720
  N      -5.995643      1.659460      1.967704
  C      -5.598311      1.937978      0.696962
  N      -5.239900      1.082642     -0.239311
  C      -5.309061     -0.241838      0.098904
  C      -4.946608     -1.219057     -0.859477
  C      -5.003670     -2.558854     -0.534459
  C      -5.423735     -2.974577      0.751934
  C      -5.783518     -2.044095      1.705054
  C      -5.733930     -0.659471      1.402231
  C      -3.486146      6.227493      5.914245
  C      -3.565331      7.517641      5.081006
  C      -4.268982      7.326150      3.740862
  C      -5.758949      7.096002      3.816368
  N      -6.387937      7.428935      4.935342
  C      -7.742139      7.285348      4.963851
  N      -8.526133      6.848889      4.001672
  C      -7.901757      6.480839      2.841440
  C      -8.681996      5.989350      1.766354
  C      -8.075887      5.610921      0.586477
  C      -6.672692      5.710712      0.435091
  C      -5.888623      6.183702      1.468462
  C      -6.482844      6.578176      2.694363
  C      -5.904889      3.043388      6.705930
  C      -6.767855      4.278310      6.997004
  C      -8.259271      3.960045      7.069885
  C      -8.895889      3.537508      5.766893
  N      -8.155856      3.552885      4.666791
  C      -8.749440      3.176831      3.500382
  N      -9.993583      2.786853      3.322733
  C     -10.781719      2.765542      4.441644
  C     -12.131966      2.357863      4.325246
  C     -12.943214      2.329103      5.440508
  C     -12.440847      2.707228      6.707426
  C     -11.128388      3.108312      6.848190
  C     -10.269746      3.143526      5.721868
  H      -3.558457      0.665099      3.284755
  H      -4.612756      1.893486      4.004191
  H      -5.376715      0.060996      5.696386
  H      -4.704928     -1.080075      4.516192
  H      -7.030599     -0.773527      3.878163
  H      -6.951421      0.980300      4.135428
  H      -5.572591      3.001787      0.439189
  H      -4.632486     -0.879330     -1.847546
  H      -4.727379     -3.309976     -1.276059
  H      -5.467073     -4.039291      0.986342
  H      -6.113996     -2.374424      2.690720
  H      -4.505184      5.894201      6.143790
  H      -2.983521      6.459476      6.873297
  H      -2.550921      7.904472      4.897669
  H      -4.097900      8.268192      5.682930
  H      -4.112287      8.217726      3.108373
  H      -3.797437      6.491718      3.200038
  H      -8.224126      7.574844      5.903461
  H      -9.760839      5.914453      1.907517
  H      -8.679693      5.230759     -0.239012
  H      -6.211352      5.415777     -0.509308
  H      -4.809099      6.265216      1.335577
  H      -6.039690      2.292469      7.510516
  H      -6.272525      2.597819      5.769015
  H      -6.454570      4.734742      7.949748
  H      -6.589417      5.019403      6.205017
  H      -8.446411      3.176533      7.824920
  H      -8.805065      4.846256      7.436506
  H      -8.099479      3.192175      2.622061
  H     -12.498203      2.074307      3.337821
  H     -13.983552      2.014802      5.348473
  H     -13.098041      2.681959      7.577607
  H     -10.753398      3.401136      7.829178
  N      -2.598523      3.192155      3.240712
  N      -2.316768      3.024754      1.989500
  H      -2.350339      2.092595      1.567988
  H      -2.376464      3.823071      1.352592
99
Coordinates from ORCA-job orca E -6258.896144919431
  N      -3.034552      1.228121      5.264684
  Mo     -3.371018      3.265865      4.904858
  N      -4.483306      3.326924      6.544289
  C      -3.676888      3.463494      7.761396
  C      -2.353827      2.712589      7.591577
  N      -1.681308      3.058397      6.280125
  C      -0.801813      1.941834      5.814645
  C      -1.644476      0.887106      5.059296
  C      -0.922271      4.359081      6.389152
  C      -1.338927      5.245495      5.223111
  N      -2.795048      5.159142      5.174426
  H      -1.367262      0.900946      3.985912
  H      -1.429057     -0.125832      5.442153
  H      -0.052975      2.374440      5.140544
  H      -0.275293      1.523664      6.686322
  H      -0.988613      6.278262      5.382802
  H      -0.908596      4.877222      4.278039
  H      -1.216797      4.835031      7.334204
  H       0.158209      4.156425      6.434994
  H      -4.199654      3.022906      8.628202
  H      -3.503485      4.527657      8.007144
  H      -2.554400      1.637293      7.563209
  H      -1.651500      2.929878      8.412661
  C      -3.984829      0.904483      4.260488
  C      -5.087649     -0.094363      4.631767
  C      -6.353660      0.078381      3.760111
  C      -6.017982      0.340034      2.316095
  N      -5.961666      1.618473      1.948939
  C      -5.563390      1.890739      0.677513
  N      -5.198152      1.031405     -0.252491
  C      -5.261958     -0.291049      0.093933
  C      -4.893861     -1.272821     -0.858030
  C      -4.947037     -2.610745     -0.525588
  C      -5.368087     -3.020608      0.762596
  C      -5.733296     -2.085584      1.709284
  C      -5.688100     -0.702671      1.398382
  C      -3.482783      6.216465      5.910305
  C      -3.581124      7.501057      5.070272
  C      -4.322887      7.302114      3.752351
  C      -5.812855      7.089697      3.871683
  N      -6.405653      7.438585      5.005581
  C      -7.759805      7.308355      5.074709
  N      -8.576241      6.874325      4.137825
  C      -7.990188      6.496766      2.960719
  C      -8.807705      6.015843      1.908349
  C      -8.240452      5.623619      0.713951
  C      -6.839825      5.695552      0.525993
  C      -6.020389      6.161335      1.535319
  C      -6.574781      6.573668      2.773818
  C      -5.892062      3.031366      6.708013
  C      -6.749018      4.273792      6.984809
  C      -8.245524      3.975329      7.038428
  C      -8.868936      3.556490      5.728150
  N      -8.106573      3.537722      4.643338
  C      -8.686266      3.164804      3.468976
  N      -9.937776      2.809473      3.269094
  C     -10.749187      2.825940      4.371355
  C     -12.109554      2.461702      4.230135
  C     -12.945190      2.472722      5.327557
  C     -12.457424      2.847661      6.601198
  C     -11.135426      3.206541      6.766119
  C     -10.252718      3.202407      5.658220
  H      -3.528527      0.645138      3.285050
  H      -4.590765      1.868267      4.003877
  H      -5.351383      0.032832      5.690777
  H      -4.668675     -1.105814      4.513601
  H      -6.995593     -0.806043      3.868769
  H      -6.919077      0.948936      4.119958
  H      -5.542964      2.952924      0.412119
  H      -4.579363     -0.937767     -1.847549
  H      -4.666810     -3.365231     -1.262367
  H      -5.408153     -4.084065      1.003151
  H      -6.064892     -2.411292      2.696092
  H      -4.496954      5.877443      6.153482
  H      -2.970355      6.456601      6.862245
  H      -2.571030      7.883259      4.856339
  H      -4.095498      8.256859      5.680804
  H      -4.174433      8.185805      3.106786
  H      -3.875840      6.458178      3.205785
  H      -8.211599      7.609178      6.025838
  H      -9.883453      5.958260      2.078990
  H      -8.873320      5.249836     -0.092800
  H      -6.408602      5.387984     -0.428372
  H      -4.943588      6.222351      1.373457
  H      -6.030285      2.289416      7.520009
  H      -6.259771      2.577365      5.775213
  H      -6.442704      4.731530      7.939230
  H      -6.553278      5.010528      6.193104
  H      -8.455587      3.198802      7.794984
  H      -8.782905      4.871625      7.393196
  H      -8.016376      3.151928      2.605717
  H     -12.463921      2.179090      3.238082
  H     -13.993353      2.192806      5.216200
  H     -13.133501      2.853881      7.457185
  H     -10.772160      3.497694      7.752051
  N      -2.593964      3.182118      3.236814
  N      -2.325716      3.020731      1.981050
  H      -2.350097      2.089281      1.558625
  H      -2.405105      3.819326      1.346517
99
Coordinates from ORCA-job orca E -6258.896277418543
  N      -3.016175      1.220710      5.256370
  Mo     -3.361969      3.255011      4.901734
  N      -4.473854      3.310905      6.541305
  C      -3.664896      3.450952      7.756268
  C      -2.337956      2.705610      7.584775
  N      -1.668446      3.053657      6.271623
  C      -0.784775      1.939580      5.805767
  C      -1.624383      0.884082      5.049499
  C      -0.913773      4.357272      6.379831
  C      -1.335901      5.243472      5.215314
  N      -2.792003      5.151774      5.171086
  H      -1.349680      0.902358      3.975254
  H      -1.405364     -0.129343      5.429461
  H      -0.036276      2.375076      5.132793
  H      -0.258264      1.522267      6.678090
  H      -0.988911      6.277332      5.375026
  H      -0.907857      4.877606      4.268204
  H      -1.209338      4.831706      7.325501
  H       0.167788      4.158372      6.425208
  H      -4.183707      3.007397      8.624163
  H      -3.496178      4.515760      8.002570
  H      -2.534179      1.629476      7.557775
  H      -1.635776      2.926122      8.404814
  C      -3.964672      0.892173      4.252410
  C      -5.063266     -0.111713      4.622850
  C      -6.325727      0.051625      3.744234
  C      -5.985962      0.300536      2.298713
  N      -5.938339      1.575025      1.916973
  C      -5.537887      1.835974      0.644248
  N      -5.160623      0.969277     -0.274066
  C      -5.215681     -0.349647      0.086873
  C      -4.836408     -1.338976     -0.853041
  C      -4.882155     -2.673521     -0.506889
  C      -5.305935     -3.072254      0.783726
  C      -5.681776     -2.129466      1.718877
  C      -5.644867     -0.749916      1.393577
  C      -3.480178      6.207282      5.909170
  C      -3.592573      7.486359      5.062749
  C      -4.367096      7.278876      3.764753
  C      -5.856097      7.087418      3.921749
  N      -6.415280      7.448065      5.069298
  C      -7.768205      7.331215      5.173895
  N      -8.614254      6.905414      4.258928
  C      -8.063819      6.523398      3.066527
  C      -8.915059      6.058872      2.033918
  C      -8.383524      5.656215      0.826853
  C      -6.986621      5.698796      0.607482
  C      -6.134918      6.152537      1.595722
  C      -6.652165      6.578549      2.844990
  C      -5.883432      3.020368      6.708240
  C      -6.735661      4.269779      6.971133
  C      -8.236089      3.988031      7.009947
  C      -8.850448      3.571957      5.694759
  N      -8.071861      3.519554      4.622335
  C      -8.641459      3.146292      3.442946
  N      -9.898316      2.819836      3.226820
  C     -10.726959      2.874162      4.314794
  C     -12.094845      2.546816      4.154835
  C     -12.948533      2.596574      5.237431
  C     -12.471654      2.973303      6.514903
  C     -11.142515      3.296293      6.698258
  C     -10.241868      3.253790      5.605481
  H      -3.506124      0.634573      3.277578
  H      -4.574403      1.853739      3.997568
  H      -5.333839      0.019260      5.679730
  H      -4.638756     -1.121616      4.511568
  H      -6.966230     -0.833307      3.857886
  H      -6.894287      0.924046      4.095061
  H      -5.526016      2.895157      0.365708
  H      -4.520213     -1.012428     -1.844698
  H      -4.593959     -3.434020     -1.234590
  H      -5.339632     -4.133183      1.035175
  H      -6.015039     -2.446547      2.707770
  H      -4.490185      5.862968      6.161878
  H      -2.961276      6.453629      6.856108
  H      -2.585866      7.861031      4.821026
  H      -4.088220      8.250411      5.678354
  H      -4.222462      8.152588      3.105062
  H      -3.943374      6.422950      3.218166
  H      -8.191260      7.636460      6.136840
  H      -9.987270      6.020827      2.229839
  H      -9.042385      5.292643      0.036546
  H      -6.583682      5.379394     -0.354891
  H      -5.061329      6.191830      1.409501
  H      -6.024706      2.287628      7.527646
  H      -6.251633      2.558388      5.779613
  H      -6.433772      4.730451      7.925243
  H      -6.526231      5.000619      6.177891
  H      -8.465129      3.218326      7.767672
  H      -8.765301      4.893126      7.354168
  H      -7.956638      3.104249      2.592516
  H     -12.440694      2.261257      3.160475
  H     -14.002498      2.345667      5.111414
  H     -13.161932      3.009632      7.358905
  H     -10.787473      3.589234      7.686787
  N      -2.588287      3.179258      3.231263
  N      -2.329633      3.034325      1.972398
  H      -2.352753      2.108196      1.539509
  H      -2.421379      3.837921      1.345500
99
Coordinates from ORCA-job orca E -6258.896380722163
  N      -3.005412      1.219247      5.243782
  Mo     -3.355565      3.250304      4.896490
  N      -4.465540      3.301320      6.538515
  C      -3.652299      3.442067      7.750864
  C      -2.323965      2.698660      7.575213
  N      -1.657388      3.049819      6.259972
  C      -0.773047      1.936376      5.791089
  C      -1.613099      0.884080      5.032161
  C      -0.903997      4.354592      6.369438
  C      -1.330245      5.242464      5.207345
  N      -2.786440      5.148747      5.168118
  H      -1.342532      0.910276      3.956818
  H      -1.392990     -0.131610      5.405210
  H      -0.023815      2.374454      5.120493
  H      -0.247904      1.516358      6.662897
  H      -0.984005      6.276585      5.366950
  H      -0.905631      4.877092      4.258385
  H      -1.201408      4.826901      7.315815
  H       0.177804      4.156514      6.414304
  H      -4.167732      2.996666      8.620027
  H      -3.484798      4.507189      7.997745
  H      -2.519645      1.622287      7.546695
  H      -1.619662      2.918354      8.393438
  C      -3.955103      0.889110      4.241735
  C      -5.049665     -0.117539      4.616436
  C      -6.310057      0.032840      3.733365
  C      -5.968942      0.263724      2.285243
  N      -5.933099      1.532514      1.884113
  C      -5.531630      1.778147      0.609039
  N      -5.140626      0.901682     -0.294104
  C      -5.184057     -0.412204      0.086253
  C      -4.791477     -1.411312     -0.837628
  C      -4.827928     -2.741180     -0.472795
  C      -5.255177     -3.124676      0.820972
  C      -5.642837     -2.171725      1.741198
  C      -5.615578     -0.796812      1.396724
  C      -3.472968      6.202729      5.910498
  C      -3.596829      7.478267      5.059913
  C      -4.399720      7.265174      3.779265
  C      -5.887567      7.099344      3.967717
  N      -6.416388      7.469169      5.127040
  C      -7.767493      7.366181      5.262753
  N      -8.639549      6.951128      4.367601
  C      -8.121111      6.565282      3.162229
  C      -9.001365      6.115740      2.148458
  C      -8.501583      5.703297      0.931118
  C      -7.109503      5.720529      0.683415
  C      -6.229775      6.162908      1.651955
  C      -6.713592      6.599959      2.910045
  C      -5.875039      3.011316      6.710418
  C      -6.728649      4.262638      6.962352
  C      -8.230485      3.986551      6.985515
  C      -8.832779      3.577056      5.663401
  N      -8.038636      3.502113      4.603632
  C      -8.595669      3.129135      3.418154
  N      -9.854419      2.821814      3.184968
  C     -10.699782      2.903169      4.257863
  C     -12.071604      2.601618      4.077809
  C     -12.942660      2.680640      5.144694
  C     -12.479665      3.060307      6.426429
  C     -11.146881      3.357402      6.629742
  C     -10.228778      3.285833      5.553048
  H      -3.497223      0.632704      3.266504
  H      -4.567429      1.850142      3.989133
  H      -5.324858      0.020461      5.671099
  H      -4.620300     -1.126382      4.514731
  H      -6.948414     -0.852540      3.856631
  H      -6.881523      0.908097      4.072713
  H      -5.531385      2.832868      0.313360
  H      -4.473340     -1.096354     -1.832266
  H      -4.530439     -3.509725     -1.188372
  H      -5.281681     -4.182207      1.086748
  H      -5.978108     -2.477062      2.733096
  H      -4.479244      5.854504      6.172693
  H      -2.947179      6.452232      6.853048
  H      -2.592861      7.843673      4.793477
  H      -4.073358      8.251873      5.679173
  H      -4.253417      8.126891      3.104392
  H      -3.999471      6.394424      3.237535
  H      -8.163917      7.671918      6.236708
  H     -10.069532      6.095791      2.366860
  H      -9.182663      5.348681      0.156221
  H      -6.732115      5.388632     -0.284952
  H      -5.159481      6.182891      1.444688
  H      -6.014402      2.286531      7.536661
  H      -6.244094      2.541192      5.786440
  H      -6.433485      4.725859      7.916691
  H      -6.510532      4.989590      6.168690
  H      -8.471679      3.216780      7.738560
  H      -8.759024      4.893845      7.324785
  H      -7.896756      3.069456      2.579687
  H     -12.406977      2.312914      3.080793
  H     -13.999785      2.450440      5.002943
  H     -13.183840      3.119376      7.257453
  H     -10.801988      3.652683      7.621197
  N      -2.588755      3.180970      3.222064
  N      -2.339699      3.053923      1.960097
  H      -2.360768      2.134453      1.513348
  H      -2.434762      3.864572      1.342040
99
Coordinates from ORCA-job orca E -6258.896453639946
  N      -2.997706      1.215580      5.237128
  Mo     -3.348937      3.244337      4.889158
  N      -4.460919      3.296265      6.531597
  C      -3.646679      3.439868      7.743251
  C      -2.318038      2.696332      7.568779
  N      -1.650474      3.046445      6.253104
  C      -0.765852      1.932135      5.786396
  C      -1.605053      0.880389      5.026379
  C      -0.897271      4.351237      6.361679
  C      -1.323689      5.236895      5.197446
  N      -2.779914      5.144052      5.159457
  H      -1.334093      0.908371      3.951028
  H      -1.385609     -0.135818      5.398260
  H      -0.014823      2.369946      5.117609
  H      -0.243071      1.511619      6.659487
  H      -0.976863      6.271225      5.353925
  H      -0.899681      4.867780      4.249696
  H      -1.197422      4.824973      7.306535
  H       0.184184      4.152748      6.408148
  H      -4.161571      2.995912      8.613671
  H      -3.479347      4.505692      7.987683
  H      -2.514259      1.620022      7.540458
  H      -1.613605      2.916303      8.386664
  C      -3.946754      0.883441      4.235195
  C      -5.039106     -0.124001      4.612988
  C      -6.296405      0.017938      3.724675
  C      -5.949973      0.238613      2.276142
  N      -5.917957      1.504482      1.864533
  C      -5.509815      1.741723      0.589806
  N      -5.108235      0.860133     -0.303335
  C      -5.147954     -0.451020      0.087424
  C      -4.744452     -1.455064     -0.825678
  C      -4.777382     -2.782241     -0.450315
  C      -5.212202     -3.157329      0.843226
  C      -5.610102     -2.199307      1.753579
  C      -5.586379     -0.827061      1.398534
  C      -3.462553      6.199000      5.903413
  C      -3.596645      7.470448      5.047911
  C      -4.424487      7.251717      3.783733
  C      -5.910436      7.106867      4.001386
  N      -6.411535      7.484571      5.170694
  C      -7.759965      7.394880      5.335132
  N      -8.654559      6.987521      4.459709
  C      -8.165512      6.594661      3.243994
  C      -9.070930      6.152301      2.250471
  C      -8.600830      5.733216      1.023265
  C      -7.214845      5.737199      0.745593
  C      -6.310508      6.172262      1.694360
  C      -6.763214      6.615309      2.961965
  C      -5.870169      3.004978      6.705974
  C      -6.726049      4.256949      6.947075
  C      -8.228155      3.982271      6.960841
  C      -8.824446      3.577782      5.634500
  N      -8.022132      3.481912      4.582360
  C      -8.574128      3.108355      3.394433
  N      -9.835306      2.819133      3.152486
  C     -10.689861      2.925979      4.215712
  C     -12.065516      2.647767      4.024402
  C     -12.945880      2.752362      5.081665
  C     -12.488610      3.134298      6.364807
  C     -11.152270      3.408615      6.579250
  C     -10.224556      3.311133      5.512416
  H      -3.488246      0.626601      3.260443
  H      -4.560244      1.843642      3.980843
  H      -5.318341      0.019250      5.665904
  H      -4.606457     -1.132142      4.518733
  H      -6.934093     -0.867485      3.852036
  H      -6.870279      0.894823      4.055306
  H      -5.512885      2.794011      0.284870
  H      -4.420754     -1.146451     -1.820532
  H      -4.471542     -3.554938     -1.157641
  H      -5.236084     -4.212850      1.116896
  H      -5.950878     -2.498195      2.745608
  H      -4.465466      5.849584      6.176214
  H      -2.929211      6.452857      6.840293
  H      -2.595736      7.828257      4.760436
  H      -4.057263      8.251916      5.669172
  H      -4.278303      8.100838      3.093145
  H      -4.044323      6.367247      3.249148
  H      -8.132444      7.704087      6.317258
  H     -10.134166      6.142886      2.491906
  H      -9.301267      5.383255      0.263946
  H      -6.861309      5.397923     -0.229534
  H      -5.244564      6.182175      1.464392
  H      -6.006889      2.288046      7.539240
  H      -6.239098      2.526455      5.786701
  H      -6.437107      4.724492      7.900925
  H      -6.502492      4.979733      6.151359
  H      -8.475460      3.210428      7.709880
  H      -8.757197      4.889178      7.298993
  H      -7.867986      3.028299      2.563594
  H     -12.396511      2.356492      3.026615
  H     -14.006067      2.540616      4.931045
  H     -13.200355      3.213299      7.187937
  H     -10.811462      3.705386      7.571615
  N      -2.584241      3.175049      3.213587
  N      -2.341162      3.056214      1.950242
  H      -2.358545      2.138718      1.497816
  H      -2.433539      3.870909      1.336772
99
Coordinates from ORCA-job orca E -6258.896533711169
  N      -2.991756      1.216897      5.224025
  Mo     -3.343230      3.243387      4.879569
  N      -4.455575      3.294002      6.523467
  C      -3.639421      3.438773      7.733889
  C      -2.312277      2.693759      7.558667
  N      -1.644174      3.044879      6.243480
  C      -0.760380      1.930722      5.776038
  C      -1.599474      0.881846      5.012043
  C      -0.890270      4.348908      6.353760
  C      -1.316321      5.233827      5.188917
  N      -2.772703      5.143159      5.152791
  H      -1.328853      0.914086      3.936991
  H      -1.380950     -0.135710      5.379839
  H      -0.007540      2.369255      5.110185
  H      -0.239924      1.507428      6.648874
  H      -0.967830      6.267904      5.343358
  H      -0.893288      4.861706      4.242052
  H      -1.192965      4.822637      7.297583
  H       0.190574      4.149533      6.401487
  H      -4.153674      2.996784      8.605397
  H      -3.470308      4.504791      7.976180
  H      -2.510374      1.617955      7.527846
  H      -1.606658      2.911436      8.376222
  C      -3.942161      0.885185      4.222746
  C      -5.031949     -0.123092      4.604075
  C      -6.286371      0.006912      3.710109
  C      -5.934047      0.209380      2.260353
  N      -5.905258      1.469700      1.831418
  C      -5.489632      1.691018      0.556001
  N      -5.077555      0.799124     -0.321904
  C      -5.114461     -0.506965      0.086597
  C      -4.699834     -1.521568     -0.809388
  C      -4.730555     -2.843834     -0.415768
  C      -5.174605     -3.202904      0.879110
  C      -5.582708     -2.234219      1.773509
  C      -5.560833     -0.866573      1.399949
  C      -3.450419      6.198125      5.901761
  C      -3.596403      7.467246      5.044434
  C      -4.449774      7.246067      3.797714
  C      -5.932809      7.119587      4.045447
  N      -6.405664      7.499089      5.225980
  C      -7.750516      7.419792      5.420228
  N      -8.666444      7.018449      4.565206
  C      -8.207192      6.622572      3.338250
  C      -9.136623      6.183931      2.366164
  C      -8.696357      5.764206      1.127807
  C      -7.317500      5.764991      0.817025
  C      -6.389818      6.194500      1.745423
  C      -6.811647      6.637138      3.024079
  C      -5.864241      3.000189      6.700214
  C      -6.723844      4.252286      6.927601
  C      -8.225400      3.975156      6.932201
  C      -8.814268      3.573886      5.600980
  N      -8.003056      3.457000      4.557765
  C      -8.549252      3.082531      3.367193
  N      -9.812326      2.812060      3.115124
  C     -10.676590      2.945039      4.167426
  C     -12.055253      2.692449      3.962940
  C     -12.945340      2.824732      5.008871
  C     -12.495023      3.209289      6.293499
  C     -11.156010      3.458881      6.520754
  C     -10.218148      3.333121      5.465604
  H      -3.484781      0.629739      3.247330
  H      -4.556948      1.844691      3.968300
  H      -5.315069      0.026849      5.654946
  H      -4.594758     -1.130060      4.519164
  H      -6.923807     -0.877493      3.845963
  H      -6.862324      0.887592      4.027452
  H      -5.495065      2.738850      0.236261
  H      -4.369359     -1.225255     -1.805908
  H      -4.415978     -3.624942     -1.109962
  H      -5.197256     -4.254879      1.166770
  H      -5.930575     -2.520684      2.766872
  H      -4.449375      5.847363      6.187037
  H      -2.907519      6.454747      6.832176
  H      -2.599335      7.817964      4.735843
  H      -4.040536      8.254914      5.669863
  H      -4.305236      8.082860      3.091909
  H      -4.089224      6.348695      3.269605
  H      -8.099253      7.730966      6.410384
  H     -10.193964      6.177581      2.632908
  H      -9.415058      5.416028      0.384911
  H      -6.987949      5.424202     -0.166222
  H      -5.329119      6.201056      1.491108
  H      -5.997786      2.292299      7.541655
  H      -6.232470      2.511488      5.786170
  H      -6.442665      4.727249      7.880420
  H      -6.495597      4.969486      6.127901
  H      -8.476162      3.199003      7.676493
  H      -8.757907      4.879728      7.270468
  H      -7.835981      2.984978      2.543609
  H     -12.380835      2.398855      2.964214
  H     -14.007883      2.633481      4.847847
  H     -13.214615      3.310544      7.107325
  H     -10.820327      3.757941      7.514040
  N      -2.582038      3.178181      3.202932
  N      -2.343663      3.070794      1.938183
  H      -2.353268      2.156431      1.477950
  H      -2.431521      3.891021      1.331951
99
Coordinates from ORCA-job orca E -6258.896642472861
  N      -2.987455      1.220482      5.207631
  Mo     -3.338466      3.245626      4.869017
  N      -4.451196      3.293673      6.513809
  C      -3.634561      3.438105      7.724017
  C      -2.309776      2.690390      7.548448
  N      -1.639884      3.043475      6.234881
  C      -0.757214      1.929803      5.765730
  C      -1.595811      0.885057      4.995173
  C      -0.884810      4.346288      6.348385
  C      -1.309040      5.231588      5.183270
  N      -2.765656      5.144185      5.148076
  H      -1.323758      0.921930      3.920748
  H      -1.378872     -0.134362      5.358540
  H      -0.001535      2.368929      5.103631
  H      -0.239819      1.502065      6.638135
  H      -0.958235      6.265046      5.336634
  H      -0.886350      4.857276      4.237286
  H      -1.189392      4.819453      7.291681
  H       0.195512      4.145804      6.397236
  H      -4.149635      2.998652      8.596082
  H      -3.462620      4.503961      7.964481
  H      -2.510342      1.615192      7.513902
  H      -1.603855      2.904348      8.366828
  C      -3.939790      0.891210      4.206487
  C      -5.027113     -0.118025      4.590225
  C      -6.277840     -0.000449      3.689790
  C      -5.917695      0.179816      2.238938
  N      -5.888847      1.433118      1.789650
  C      -5.465480      1.633841      0.513128
  N      -5.045884      0.728550     -0.347114
  C      -5.082583     -0.570810      0.082732
  C      -4.659487     -1.599246     -0.793041
  C      -4.689995     -2.914931     -0.377306
  C      -5.142883     -3.253446      0.919881
  C      -5.559178     -2.270949      1.795092
  C      -5.537027     -0.909364      1.398937
  C      -3.437744      6.199078      5.902641
  C      -3.593470      7.466404      5.044550
  C      -4.471916      7.244868      3.815798
  C      -5.951347      7.136177      4.093194
  N      -6.396519      7.519187      5.282895
  C      -7.737783      7.451828      5.505297
  N      -8.673794      7.054190      4.670864
  C      -8.243301      6.653302      3.434635
  C      -9.195217      6.217107      2.483488
  C      -8.783456      5.795335      1.236052
  C      -7.411770      5.792993      0.894152
  C      -6.462510      6.218520      1.802274
  C      -6.855046      6.661965      3.090039
  C      -5.859823      2.998176      6.690013
  C      -6.722748      4.250680      6.901625
  C      -8.223502      3.970544      6.898595
  C      -8.806467      3.571613      5.563432
  N      -7.989038      3.436114      4.527257
  C      -8.532036      3.059613      3.335511
  N      -9.796661      2.803626      3.076632
  C     -10.667505      2.959177      4.120552
  C     -12.048365      2.726929      3.906715
  C     -12.944848      2.883276      4.943836
  C     -12.498769      3.272377      6.228558
  C     -11.157854      3.502321      6.464691
  C     -10.213253      3.351941      5.418677
  H      -3.483633      0.638166      3.229981
  H      -4.555576      1.850447      3.952926
  H      -5.314481      0.038413      5.639060
  H      -4.584821     -1.123546      4.514788
  H      -6.916116     -0.882642      3.835744
  H      -6.854873      0.885201      3.991336
  H      -5.470519      2.676098      0.176011
  H      -4.322572     -1.318826     -1.791973
  H      -4.368357     -3.706735     -1.055870
  H      -5.165803     -4.300637      1.224842
  H      -5.914100     -2.541480      2.790354
  H      -4.433052      5.848202      6.200299
  H      -2.885054      6.457774      6.826448
  H      -2.600164      7.809700      4.716163
  H      -4.021050      8.259039      5.675252
  H      -4.330040      8.069785      3.095813
  H      -4.131136      6.335726      3.293311
  H      -8.064057      7.769229      6.501092
  H     -10.246616      6.213911      2.773678
  H      -9.519007      5.447684      0.509395
  H      -7.105297      5.451213     -0.096146
  H      -5.407441      6.221678      1.525205
  H      -5.992759      2.299243      7.538937
  H      -6.225789      2.499744      5.780389
  H      -6.449853      4.734466      7.852694
  H      -6.489482      4.961101      6.097249
  H      -8.475654      3.189258      7.637756
  H      -8.760008      4.871553      7.238803
  H      -7.814651      2.945051      2.517593
  H     -12.370425      2.429530      2.907909
  H     -14.009055      2.708181      4.775501
  H     -13.223421      3.393121      7.035260
  H     -10.825414      3.805097      7.457949
  N      -2.577961      3.187134      3.192314
  N      -2.340854      3.093906      1.926545
  H      -2.338544      2.183892      1.457128
  H      -2.423511      3.921408      1.330289
99
Coordinates from ORCA-job orca E -6258.896724515562
  N      -2.987019      1.230168      5.186383
  Mo     -3.335388      3.253632      4.857166
  N      -4.448248      3.297203      6.503329
  C      -3.631494      3.439819      7.713832
  C      -2.311439      2.686552      7.537831
  N      -1.638564      3.043384      6.227318
  C      -0.758190      1.930654      5.754398
  C      -1.596714      0.892676      4.973813
  C      -0.881092      4.343744      6.347502
  C      -1.300624      5.230917      5.182429
  N      -2.757416      5.149061      5.146207
  H      -1.321699      0.935337      3.900523
  H      -1.383352     -0.129555      5.331282
  H       0.001420      2.370622      5.097509
  H      -0.244810      1.495694      6.625532
  H      -0.946066      6.263074      5.335845
  H      -0.877202      4.854457      4.237838
  H      -1.188767      4.815481      7.290167
  H       0.198310      4.141001      6.398862
  H      -4.148834      3.005152      8.586560
  H      -3.453908      4.505111      7.951422
  H      -2.516727      1.612530      7.496700
  H      -1.605175      2.893458      8.357919
  C      -3.942854      0.906592      4.185227
  C      -5.027807     -0.103077      4.571533
  C      -6.274362     -0.000063      3.663973
  C      -5.904263      0.152350      2.212279
  N      -5.870745      1.396659      1.738781
  C      -5.437870      1.570917      0.461184
  N      -5.013631      0.648246     -0.377734
  C      -5.054531     -0.642339      0.077798
  C      -4.625629     -1.688735     -0.773243
  C      -4.659904     -2.995773     -0.330630
  C      -5.123350     -3.307773      0.969227
  C      -5.545523     -2.307445      1.820847
  C      -5.518800     -0.953737      1.397179
  C      -3.423341      6.204292      5.906627
  C      -3.586163      7.471051      5.049412
  C      -4.484872      7.252173      3.835763
  C      -5.960766      7.157172      4.138156
  N      -6.382247      7.535271      5.337167
  C      -7.720156      7.476706      5.583479
  N      -8.672220      7.082633      4.765957
  C      -8.266132      6.683511      3.520289
  C      -9.235958      6.249133      2.586110
  C      -8.848117      5.835484      1.328500
  C      -7.483453      5.841865      0.957450
  C      -6.517143      6.262587      1.849662
  C      -6.885267      6.695631      3.148207
  C      -5.856170      2.996608      6.678366
  C      -6.725722      4.246825      6.874369
  C      -8.224148      3.956397      6.867347
  C      -8.804108      3.562371      5.528406
  N      -7.984182      3.414413      4.495771
  C      -8.527939      3.037489      3.303976
  N      -9.793942      2.790464      3.043219
  C     -10.667583      2.962314      4.082752
  C     -12.050277      2.745168      3.864727
  C     -12.949199      2.920290      4.896819
  C     -12.503511      3.314012      6.180264
  C     -11.160988      3.529138      6.420128
  C     -10.213595      3.359400      5.379388
  H      -3.489246      0.657325      3.206678
  H      -4.559220      1.866326      3.933985
  H      -5.319329      0.061076      5.618158
  H      -4.579785     -1.106849      4.507115
  H      -6.914372     -0.878719      3.822589
  H      -6.851778      0.891934      3.945955
  H      -5.438047      2.606065      0.103636
  H      -4.280928     -1.428864     -1.774970
  H      -4.332850     -3.801277     -0.990014
  H      -5.149837     -4.348660      1.295313
  H      -5.909061     -2.557316      2.818223
  H      -4.415481      5.854655      6.216267
  H      -2.860862      6.463743      6.823941
  H      -2.595656      7.807194      4.705516
  H      -3.999047      8.267219      5.685420
  H      -4.344766      8.065761      3.102976
  H      -4.160740      6.332455      3.319302
  H      -8.028071      7.797498      6.583980
  H     -10.281653      6.241050      2.897680
  H      -9.596632      5.487703      0.614805
  H      -7.196701      5.508686     -0.041405
  H      -5.467697      6.270519      1.552314
  H      -5.986920      2.306097      7.534470
  H      -6.219018      2.488270      5.773035
  H      -6.462184      4.741281      7.823001
  H      -6.490703      4.950294      6.064272
  H      -8.470187      3.163888      7.597538
  H      -8.768774      4.848173      7.216922
  H      -7.810358      2.910725      2.488016
  H     -12.371731      2.444243      2.866613
  H     -14.014780      2.757415      4.725172
  H     -13.230084      3.450420      6.982874
  H     -10.828804      3.835610      7.412405
  N      -2.572929      3.204838      3.181557
  N      -2.332986      3.125934      1.915973
  H      -2.308664      2.220303      1.438115
  H      -2.403115      3.961300      1.330491
99
Coordinates from ORCA-job orca E -6258.896709162997
  N      -2.973285      1.225035      5.182115
  Mo     -3.328068      3.249034      4.853417
  N      -4.439369      3.294267      6.497309
  C      -3.616231      3.439981      7.702127
  C      -2.287260      2.693500      7.521222
  N      -1.621458      3.046435      6.204471
  C      -0.738806      1.932030      5.731705
  C      -1.581006      0.889639      4.963835
  C      -0.865545      4.350314      6.314218
  C      -1.298508      5.240917      5.155791
  N      -2.756203      5.152067      5.132981
  H      -1.315713      0.931253      3.887920
  H      -1.361602     -0.130546      5.322355
  H       0.014713      2.373229      5.068859
  H      -0.219478      1.503479      6.602113
  H      -0.947079      6.274241      5.310868
  H      -0.886452      4.871693      4.202994
  H      -1.163267      4.821017      7.261507
  H       0.216283      4.150305      6.357825
  H      -4.125644      2.997581      8.576063
  H      -3.445418      4.505951      7.944585
  H      -2.487454      1.618172      7.489421
  H      -1.579202      2.907949      8.337199
  C      -3.925738      0.891088      4.185619
  C      -5.008717     -0.123106      4.571592
  C      -6.250539     -0.023598      3.659101
  C      -5.883894      0.105667      2.204658
  N      -5.860284      1.340140      1.705232
  C      -5.434105      1.491990      0.423208
  N      -5.003793      0.555750     -0.398327
  C      -5.034282     -0.725490      0.082909
  C      -4.599907     -1.784837     -0.751072
  C      -4.625348     -3.083348     -0.285021
  C      -5.084092     -3.373140      1.022650
  C      -5.511157     -2.358855      1.857244
  C      -5.494223     -1.013978      1.408955
  C      -3.418280      6.200923      5.906194
  C      -3.599983      7.474491      5.060476
  C      -4.528323      7.261232      3.867073
  C      -5.993665      7.169808      4.209014
  N      -6.376424      7.539462      5.426931
  C      -7.701923      7.463184      5.716561
  N      -8.681237      7.083146      4.923730
  C      -8.318546      6.715960      3.657822
  C      -9.322925      6.316859      2.747231
  C      -8.979048      5.912498      1.473956
  C      -7.626216      5.887527      1.068636
  C      -6.626625      6.285546      1.934177
  C      -6.948997      6.716160      3.244946
  C      -5.847445      2.995250      6.675502
  C      -6.718587      4.250139      6.850791
  C      -8.222276      3.974353      6.828318
  C      -8.783063      3.570537      5.487045
  N      -7.939771      3.396977      4.477581
  C      -8.455275      3.024746      3.273963
  N      -9.718167      2.804427      2.977579
  C     -10.615063      2.997322      3.992554
  C     -11.996174      2.806672      3.737628
  C     -12.920407      3.004993      4.743495
  C     -12.502836      3.393580      6.037713
  C     -11.162036      3.583218      6.314493
  C     -10.190117      3.390911      5.300569
  H      -3.469508      0.637134      3.209854
  H      -4.543088      1.849594      3.935973
  H      -5.308887      0.044583      5.614955
  H      -4.560493     -1.127282      4.513107
  H      -6.892750     -0.899255      3.828264
  H      -6.825339      0.873245      3.932194
  H      -5.447451      2.519265      0.040464
  H      -4.258785     -1.541332     -1.759012
  H      -4.295877     -3.899752     -0.931421
  H      -5.101926     -4.407417      1.367995
  H      -5.868849     -2.592220      2.861674
  H      -4.405438      5.842541      6.220231
  H      -2.848121      6.455362      6.821443
  H      -2.619550      7.814865      4.694357
  H      -3.998809      8.266811      5.710253
  H      -4.407879      8.089058      3.146004
  H      -4.222930      6.351934      3.324635
  H      -7.972743      7.750852      6.738015
  H     -10.358303      6.328288      3.086551
  H      -9.754583      5.589290      0.779909
  H      -7.373501      5.551229      0.060850
  H      -5.585525      6.273081      1.606659
  H      -5.983435      2.314511      7.537735
  H      -6.205129      2.473901      5.774475
  H      -6.453392      4.754997      7.793416
  H      -6.477080      4.944370      6.033460
  H      -8.492064      3.203110      7.571354
  H      -8.757911      4.883682      7.148731
  H      -7.712971      2.900488      2.477908
  H     -12.296368      2.508912      2.732879
  H     -13.984820      2.862984      4.543039
  H     -13.249278      3.546451      6.819187
  H     -10.851698      3.885953      7.314220
  N      -2.584654      3.198005      3.166621
  N      -2.373932      3.118521      1.895535
  H      -2.369791      2.214300      1.419991
  H      -2.474061      3.948898      1.303891
99
Coordinates from ORCA-job orca E -6258.897008736840
  N      -2.971607      1.224768      5.172715
  Mo     -3.326387      3.249677      4.844919
  N      -4.438182      3.296282      6.488248
  C      -3.619827      3.440921      7.696831
  C      -2.295223      2.689556      7.519129
  N      -1.624360      3.043735      6.205837
  C      -0.742021      1.930474      5.732911
  C      -1.580580      0.890298      4.956377
  C      -0.868609      4.346726      6.318181
  C      -1.296854      5.234811      5.156439
  N      -2.754610      5.149349      5.130664
  H      -1.309670      0.933511      3.881660
  H      -1.361930     -0.130965      5.313628
  H       0.015533      2.370695      5.073710
  H      -0.226561      1.497927      6.604097
  H      -0.943435      6.267663      5.308981
  H      -0.881462      4.861972      4.206647
  H      -1.167085      4.818237      7.264754
  H       0.212579      4.146909      6.362444
  H      -4.134507      3.004657      8.570991
  H      -3.444200      4.506872      7.935451
  H      -2.498083      1.614599      7.483129
  H      -1.589818      2.899969      8.338881
  C      -3.926591      0.893079      4.175927
  C      -5.004935     -0.123135      4.565363
  C      -6.245411     -0.032889      3.651496
  C      -5.871923      0.094162      2.199134
  N      -5.837391      1.328921      1.701911
  C      -5.403246      1.478036      0.421971
  N      -4.977368      0.539443     -0.398117
  C      -5.017769     -0.741527      0.082572
  C      -4.586019     -1.803455     -0.748054
  C      -4.619551     -3.101346     -0.281207
  C      -5.084850     -3.388646      1.024167
  C      -5.510138     -2.372422      1.855259
  C      -5.484246     -1.027726      1.406187
  C      -3.412804      6.198217      5.906207
  C      -3.594085      7.469600      5.058355
  C      -4.538010      7.258107      3.877699
  C      -6.001565      7.182248      4.234495
  N      -6.373211      7.579548      5.445027
  C      -7.699480      7.525236      5.743616
  N      -8.685788      7.129858      4.966678
  C      -8.332580      6.726656      3.708424
  C      -9.343113      6.302078      2.814737
  C      -9.007914      5.870515      1.548531
  C      -7.657485      5.844488      1.131456
  C      -6.652335      6.260227      1.981809
  C      -6.966351      6.716147      3.285879
  C      -5.848727      3.003639      6.657644
  C      -6.715572      4.262993      6.814079
  C      -8.217879      3.987798      6.791706
  C      -8.780966      3.585159      5.450276
  N      -7.942981      3.408891      4.437345
  C      -8.467407      3.037033      3.237010
  N      -9.731693      2.817907      2.947700
  C     -10.622285      3.010798      3.968015
  C     -12.003887      2.816678      3.721965
  C     -12.921083      3.014579      4.733519
  C     -12.495360      3.408804      6.023749
  C     -11.154085      3.601589      6.291177
  C     -10.188961      3.407111      5.272124
  H      -3.471792      0.641213      3.198627
  H      -4.545918      1.850864      3.925105
  H      -5.304065      0.046414      5.608769
  H      -4.550848     -1.124799      4.510054
  H      -6.886142     -0.908986      3.821402
  H      -6.822200      0.863101      3.919398
  H      -5.405240      2.505781      0.041668
  H      -4.239784     -1.562013     -1.754044
  H      -4.290788     -3.919088     -0.924595
  H      -5.109733     -4.422653      1.370660
  H      -5.874032     -2.604260      2.857096
  H      -4.398939      5.843304      6.228796
  H      -2.836844      6.455213      6.816520
  H      -2.614730      7.803106      4.682268
  H      -3.981767      8.263838      5.713054
  H      -4.417974      8.075130      3.144955
  H      -4.247149      6.339195      3.342327
  H      -7.964086      7.848092      6.755937
  H     -10.376332      6.316307      3.162135
  H      -9.787477      5.529527      0.866907
  H      -7.412466      5.493125      0.127683
  H      -5.613810      6.243246      1.647347
  H      -5.993615      2.330699      7.525051
  H      -6.202220      2.475805      5.758354
  H      -6.456262      4.778804      7.752829
  H      -6.467722      4.946336      5.989901
  H      -8.483726      3.210767      7.530655
  H      -8.755527      4.892768      7.119283
  H      -7.734003      2.906094      2.436176
  H     -12.309550      2.514930      2.719510
  H     -13.985916      2.868886      4.540548
  H     -13.235779      3.563237      6.809810
  H     -10.838118      3.908685      7.288216
  N      -2.576203      3.204298      3.161912
  N      -2.355681      3.136822      1.891002
  H      -2.339205      2.237090      1.406577
  H      -2.444878      3.976787      1.312675
99
Coordinates from ORCA-job orca E -6258.897255059059
  N      -2.975317      1.227858      5.166348
  Mo     -3.325672      3.252796      4.838403
  N      -4.441196      3.304086      6.479656
  C      -3.626990      3.448051      7.691237
  C      -2.306497      2.689319      7.518884
  N      -1.629212      3.041405      6.208629
  C      -0.748273      1.926341      5.737911
  C      -1.585579      0.889009      4.955075
  C      -0.870357      4.342170      6.322094
  C      -1.290037      5.228303      5.155925
  N      -2.748329      5.150121      5.125686
  H      -1.308447      0.930740      3.881503
  H      -1.370961     -0.133252      5.313485
  H       0.014229      2.363676      5.082032
  H      -0.237993      1.490287      6.610864
  H      -0.932015      6.260006      5.305876
  H      -0.872459      4.850999      4.208843
  H      -1.169206      4.816765      7.267156
  H       0.210261      4.139616      6.369733
  H      -4.146815      3.019371      8.566003
  H      -3.445196      4.513554      7.925482
  H      -2.513739      1.615121      7.481225
  H      -1.604268      2.895732      8.342602
  C      -3.931610      0.897446      4.169499
  C      -5.008435     -0.119239      4.560974
  C      -6.244143     -0.038111      3.640459
  C      -5.860497      0.078987      2.190341
  N      -5.813387      1.310826      1.688182
  C      -5.368952      1.449827      0.410523
  N      -4.945810      0.503817     -0.402029
  C      -4.998402     -0.773958      0.084882
  C      -4.568426     -1.843470     -0.736416
  C      -4.612926     -3.138150     -0.262642
  C      -5.088070     -3.415221      1.041203
  C      -5.512320     -2.391878      1.862864
  C      -5.475021     -1.050016      1.406479
  C      -3.399989      6.204933      5.896285
  C      -3.566696      7.474333      5.044004
  C      -4.526028      7.274494      3.874981
  C      -5.986110      7.222595      4.250899
  N      -6.334389      7.631682      5.463290
  C      -7.657028      7.593652      5.782955
  N      -8.658187      7.194558      5.026577
  C      -8.328647      6.779205      3.766043
  C      -9.356286      6.350240      2.892997
  C      -9.045167      5.917159      1.621806
  C      -7.702325      5.892681      1.178360
  C      -6.680996      6.305767      2.010094
  C      -6.970488      6.763002      3.318974
  C      -5.852146      3.008879      6.641791
  C      -6.726152      4.266267      6.769514
  C      -8.225643      3.977472      6.755384
  C      -8.791641      3.565812      5.417404
  N      -7.957248      3.387709      4.402079
  C      -8.487539      3.012188      3.205293
  N      -9.752363      2.786066      2.922501
  C     -10.638263      2.977813      3.946739
  C     -12.019614      2.777361      3.707665
  C     -12.932245      2.977187      4.722223
  C     -12.501671      3.380563      6.008162
  C     -11.160514      3.579329      6.268440
  C     -10.199972      3.382667      5.246374
  H      -3.477484      0.644387      3.191961
  H      -4.550341      1.855673      3.917374
  H      -5.311464      0.055862      5.602435
  H      -4.550076     -1.119363      4.514026
  H      -6.886230     -0.912482      3.812750
  H      -6.821487      0.859659      3.898798
  H      -5.358291      2.475632      0.026030
  H      -4.214338     -1.609714     -1.741081
  H      -4.284652     -3.961257     -0.898523
  H      -5.121816     -4.446885      1.394097
  H      -5.884139     -2.616410      2.863050
  H      -4.389176      5.860290      6.220511
  H      -2.821846      6.462369      6.804590
  H      -2.585010      7.791813      4.660207
  H      -3.936832      8.274150      5.701956
  H      -4.402213      8.085744      3.137062
  H      -4.258057      6.349009      3.338974
  H      -7.904425      7.932969      6.794132
  H     -10.383204      6.365385      3.259393
  H      -9.837131      5.574279      0.955400
  H      -7.476986      5.543170      0.170020
  H      -5.649183      6.286141      1.657530
  H      -6.002321      2.348668      7.518303
  H      -6.196935      2.464439      5.748198
  H      -6.471631      4.805644      7.696858
  H      -6.482061      4.931699      5.929546
  H      -8.477451      3.195771      7.495131
  H      -8.771222      4.875771      7.087533
  H      -7.760656      2.880107      2.400625
  H     -12.328467      2.469084      2.708012
  H     -13.996805      2.826742      4.534835
  H     -13.238091      3.537500      6.796785
  H     -10.841348      3.894157      7.262225
  N      -2.566167      3.208537      3.158819
  N      -2.339783      3.144340      1.888942
  H      -2.304681      2.246216      1.403528
  H      -2.411052      3.989063      1.317183
99
Coordinates from ORCA-job orca E -6258.897483215253
  N      -2.974716      1.231286      5.153146
  Mo     -3.323684      3.256841      4.828171
  N      -4.439410      3.310393      6.468530
  C      -3.626733      3.453318      7.681131
  C      -2.308786      2.689921      7.509989
  N      -1.628720      3.041466      6.201167
  C      -0.748824      1.925780      5.729928
  C      -1.585794      0.891057      4.942762
  C      -0.868084      4.341078      6.315081
  C      -1.285690      5.227769      5.148866
  N      -2.744511      5.153134      5.119649
  H      -1.306387      0.933955      3.869628
  H      -1.372307     -0.132180      5.299827
  H       0.016128      2.362299      5.076174
  H      -0.241148      1.486789      6.603099
  H      -0.925012      6.258658      5.298156
  H      -0.869350      4.849705      4.201596
  H      -1.164472      4.815859      7.260920
  H       0.212407      4.137446      6.362007
  H      -4.148973      3.028997      8.556492
  H      -3.440495      4.518392      7.913375
  H      -2.519055      1.616280      7.470623
  H      -1.607777      2.892993      8.335748
  C      -3.932216      0.901111      4.157046
  C      -5.006050     -0.117903      4.550389
  C      -6.236933     -0.048449      3.623174
  C      -5.844813      0.049263      2.174143
  N      -5.788797      1.274321      1.657321
  C      -5.336614      1.394468      0.380390
  N      -4.914682      0.436015     -0.417906
  C      -4.976061     -0.834952      0.084915
  C      -4.546979     -1.917085     -0.720078
  C      -4.599676     -3.205124     -0.230002
  C      -5.082493     -3.463152      1.074908
  C      -5.506353     -2.427387      1.880486
  C      -5.460612     -1.091811      1.407081
  C      -3.389550      6.207448      5.896246
  C      -3.557304      7.479343      5.047872
  C      -4.538825      7.290147      3.896542
  C      -5.992041      7.252249      4.300355
  N      -6.313753      7.672023      5.516135
  C      -7.629897      7.642188      5.862944
  N      -8.647315      7.237183      5.131170
  C      -8.345476      6.813406      3.866785
  C      -9.392429      6.380337      3.018254
  C      -9.109137      5.943272      1.742242
  C      -7.775949      5.918140      1.269094
  C      -6.736412      6.332118      2.077203
  C      -6.997366      6.793395      3.390589
  C      -5.851905      3.019166      6.624495
  C      -6.726353      4.278997      6.718368
  C      -8.225200      3.987552      6.705564
  C      -8.787828      3.565107      5.369404
  N      -7.950264      3.373638      4.359214
  C      -8.478714      2.994530      3.162831
  N      -9.743579      2.772577      2.876286
  C     -10.631741      2.974143      3.896435
  C     -12.012694      2.777490      3.653753
  C     -12.927687      2.988759      4.663530
  C     -12.499845      3.400830      5.947778
  C     -11.159144      3.596289      6.211312
  C     -10.196225      3.387308      5.194408
  H      -3.478537      0.648481      3.179132
  H      -4.551981      1.858776      3.905274
  H      -5.314233      0.062691      5.589481
  H      -4.542292     -1.115946      4.512426
  H      -6.880809     -0.919842      3.803227
  H      -6.814206      0.853059      3.867488
  H      -5.317311      2.415238     -0.016666
  H      -4.186789     -1.697726     -1.725622
  H      -4.271627     -4.037779     -0.853033
  H      -5.122672     -4.489842      1.441459
  H      -5.884078     -2.637886      2.881332
  H      -4.377634      5.865480      6.227071
  H      -2.804556      6.462617      6.800764
  H      -2.579031      7.789265      4.649659
  H      -3.910098      8.279335      5.715078
  H      -4.421126      8.100082      3.156200
  H      -4.291926      6.362438      3.354301
  H      -7.855994      7.993069      6.875074
  H     -10.411377      6.397284      3.406458
  H      -9.915264      5.597642      1.094414
  H      -7.573207      5.566843      0.256830
  H      -5.712487      6.309436      1.702823
  H      -6.010942      2.375534      7.511698
  H      -6.189614      2.456770      5.738661
  H      -6.475886      4.841594      7.633282
  H      -6.479009      4.923375      5.862774
  H      -8.474740      3.208659      7.449577
  H      -8.773273      4.886135      7.032355
  H      -7.751372      2.854541      2.361184
  H     -12.319077      2.462563      2.655310
  H     -13.991847      2.840894      4.473578
  H     -13.237814      3.567260      6.732704
  H     -10.842550      3.918296      7.203663
  N      -2.563045      3.217735      3.149351
  N      -2.335261      3.164593      1.878910
  H      -2.287335      2.270645      1.387599
  H      -2.403159      4.015213      1.316463
99
Coordinates from ORCA-job orca E -6258.897697975065
  N      -2.973677      1.235089      5.140435
  Mo     -3.321648      3.261026      4.818198
  N      -4.437623      3.316829      6.457535
  C      -3.625958      3.458767      7.670820
  C      -2.309905      2.691568      7.500630
  N      -1.627555      3.042404      6.192837
  C      -0.748563      1.925939      5.721355
  C      -1.585420      0.893473      4.930834
  C      -0.865266      4.341046      6.306616
  C      -1.281563      5.228324      5.140528
  N      -2.740913      5.156727      5.112858
  H      -1.304276      0.937448      3.858009
  H      -1.372928     -0.130620      5.286697
  H       0.018471      2.361696      5.069354
  H      -0.243182      1.484576      6.594824
  H      -0.918511      6.258503      5.289119
  H      -0.866891      4.849642      4.192815
  H      -1.159032      4.816023      7.253282
  H       0.215197      4.136417      6.352564
  H      -4.150008      3.037950      8.546703
  H      -3.436019      4.523420      7.901530
  H      -2.522634      1.618383      7.460088
  H      -1.609966      2.891985      8.328054
  C      -3.932088      0.904503      4.145103
  C      -5.002995     -0.116969      4.540120
  C      -6.229011     -0.059508      3.606176
  C      -5.829050      0.017932      2.158239
  N      -5.765412      1.235539      1.625592
  C      -5.306527      1.336100      0.349326
  N      -4.885579      0.364987     -0.433965
  C      -4.954604     -0.898558      0.085760
  C      -4.526512     -1.993482     -0.702332
  C      -4.586493     -3.274322     -0.195108
  C      -5.075846     -3.512455      1.111123
  C      -5.499104     -2.464031      1.900106
  C      -5.445944     -1.135338      1.408785
  C      -3.379671      6.210257      5.895464
  C      -3.548874      7.484683      5.051199
  C      -4.552530      7.305991      3.918141
  C      -5.997966      7.282204      4.350455
  N      -6.291806      7.711458      5.569812
  C      -7.600437      7.689423      5.944743
  N      -8.634581      7.280797      5.238105
  C      -8.361858      6.850586      3.969627
  C      -9.428754      6.416363      3.146207
  C      -9.174816      5.975966      1.865476
  C      -7.852325      5.947935      1.362372
  C      -6.794003      6.360745      2.146030
  C      -7.024696      6.825499      3.463719
  C      -5.851382      3.028525      6.608075
  C      -6.727127      4.289302      6.669466
  C      -8.225293      3.994620      6.656397
  C      -8.783351      3.563230      5.321281
  N      -7.941636      3.360631      4.316651
  C      -8.466764      2.979701      3.119550
  N      -9.731404      2.762361      2.827629
  C     -10.622976      2.971814      3.843118
  C     -12.003431      2.779789      3.595073
  C     -12.921951      3.000990      4.599373
  C     -12.498165      3.419155      5.883046
  C     -11.158033      3.610323      6.151641
  C     -10.191626      3.390724      5.140590
  H      -3.478604      0.652087      3.167028
  H      -4.552920      1.861520      3.893841
  H      -5.316820      0.069095      5.576659
  H      -4.533908     -1.112878      4.511328
  H      -6.874488     -0.927902      3.794512
  H      -6.806383      0.845554      3.836144
  H      -5.279870      2.351247     -0.061271
  H      -4.161090     -1.789149     -1.708984
  H      -4.258923     -4.116735     -0.804881
  H      -5.121713     -4.533715      1.491919
  H      -5.881764     -2.659837      2.901913
  H      -4.366572      5.870393      6.232248
  H      -2.788273      6.462909      6.796514
  H      -2.574520      7.787168      4.638145
  H      -3.884021      8.284982      5.727069
  H      -4.441219      8.115112      3.175923
  H      -4.326998      6.376527      3.369737
  H      -7.803955      8.049620      6.958310
  H     -10.438981      6.436789      3.556551
  H      -9.995672      5.629870      1.236661
  H      -7.673332      5.594829      0.346506
  H      -5.778741      6.333598      1.749367
  H      -6.018239      2.401165      7.505325
  H      -6.182054      2.448386      5.730452
  H      -6.481223      4.873376      7.572174
  H      -6.476588      4.913778      5.799991
  H      -8.473173      3.218113      7.403701
  H      -8.776394      4.893107      6.977954
  H      -7.737582      2.833650      2.321459
  H     -12.306419      2.460245      2.597032
  H     -13.985641      2.856517      4.405438
  H     -13.238632      3.593821      6.663660
  H     -10.844911      3.937587      7.143379
  N      -2.560986      3.226286      3.139455
  N      -2.334285      3.182760      1.868289
  H      -2.275336      2.292541      1.372007
  H      -2.399749      4.038206      1.313615
99
Coordinates from ORCA-job orca E -6258.897889487353
  N      -2.973320      1.239985      5.127908
  Mo     -3.319868      3.266186      4.807840
  N      -4.436115      3.324436      6.446091
  C      -3.625324      3.464781      7.660034
  C      -2.310933      2.694653      7.490699
  N      -1.626612      3.044722      6.183837
  C      -0.748587      1.927287      5.712581
  C      -1.585605      0.896696      4.919671
  C      -0.862566      4.342280      6.297505
  C      -1.277917      5.230520      5.132016
  N      -2.737717      5.161561      5.105644
  H      -1.302842      0.941183      3.847173
  H      -1.374430     -0.128075      5.274843
  H       0.020228      2.362284      5.062058
  H      -0.245326      1.484184      6.586492
  H      -0.912841      6.259978      5.280541
  H      -0.864776      4.851763      4.183758
  H      -1.153697      4.817172      7.245042
  H       0.217756      4.136521      6.342405
  H      -4.150947      3.046489      8.535920
  H      -3.432189      4.528799      7.890180
  H      -2.525741      1.621937      7.449057
  H      -1.611883      2.892791      8.319515
  C      -3.931887      0.908750      4.132618
  C      -5.000607     -0.114913      4.528400
  C      -6.221696     -0.069280      3.587352
  C      -5.814395     -0.014273      2.140435
  N      -5.744048      1.194762      1.589910
  C      -5.279860      1.273869      0.314032
  N      -4.860473      0.289105     -0.452982
  C      -4.936602     -0.965969      0.085488
  C      -4.510824     -2.074711     -0.684544
  C      -4.578235     -3.347429     -0.158498
  C      -5.072759     -3.563565      1.149599
  C      -5.493837     -2.501407      1.921030
  C      -5.433306     -1.180573      1.410026
  C      -3.370935      6.213372      5.895608
  C      -3.542613      7.492516      5.058458
  C      -4.566657      7.327256      3.942255
  C      -6.004251      7.313080      4.401797
  N      -6.271917      7.746152      5.625949
  C      -7.572212      7.727167      6.028575
  N      -8.621222      7.315130      5.345719
  C      -8.376155      6.883527      4.072200
  C      -9.461080      6.447669      3.272806
  C      -9.235598      6.010450      1.985778
  C      -7.924740      5.986898      1.452073
  C      -6.849454      6.398944      2.212353
  C      -7.050601      6.859791      3.536451
  C      -5.851153      3.039709      6.591526
  C      -6.727012      4.300743      6.622534
  C      -8.224501      4.003409      6.608649
  C      -8.777050      3.562278      5.274427
  N      -7.930422      3.348493      4.276008
  C      -8.450932      2.963860      3.078040
  N      -9.715086      2.749656      2.780262
  C     -10.610934      2.967501      3.790226
  C     -11.990551      2.779339      3.535936
  C     -12.913414      3.010623      4.533941
  C     -12.494964      3.435388      5.817204
  C     -11.155745      3.623135      6.091765
  C     -10.185003      3.393297      5.087273
  H      -3.477893      0.656650      3.154729
  H      -4.553731      1.864901      3.881796
  H      -5.320846      0.076572      5.562112
  H      -4.526519     -1.108735      4.509098
  H      -6.869530     -0.933856      3.785141
  H      -6.798566      0.839930      3.801807
  H      -5.246738      2.282503     -0.111568
  H      -4.141184     -1.887023     -1.692768
  H      -4.252445     -4.200463     -0.754189
  H      -5.124522     -4.578695      1.545807
  H      -5.880352     -2.680884      2.924327
  H      -4.356726      5.874401      6.236738
  H      -2.774062      6.461623      6.794304
  H      -2.572400      7.789465      4.632093
  H      -3.861312      8.291261      5.743929
  H      -4.462259      8.139015      3.201739
  H      -4.360330      6.398880      3.384603
  H      -7.754195      8.092076      7.044459
  H     -10.462009      6.466707      3.705550
  H     -10.069869      5.664231      1.374826
  H      -7.768622      5.637183      0.431302
  H      -5.843603      6.373718      1.792391
  H      -6.025595      2.428443      7.498087
  H      -6.175623      2.442648      5.722715
  H      -6.485279      4.904187      7.513063
  H      -6.472825      4.906013      5.740785
  H      -8.471671      3.230182      7.359746
  H      -8.778379      4.902249      6.923842
  H      -7.718961      2.808726      2.284770
  H     -12.289303      2.454624      2.538247
  H     -13.976336      2.868997      4.335244
  H     -13.238648      3.618000      6.592928
  H     -10.846933      3.956069      7.082969
  N      -2.558955      3.234899      3.129647
  N      -2.332764      3.199091      1.858054
  H      -2.262736      2.311513      1.358392
  H      -2.396760      4.057720      1.308812
99
Coordinates from ORCA-job orca E -6258.898066041181
  N      -2.975974      1.246302      5.114150
  Mo     -3.319232      3.273831      4.797155
  N      -4.437185      3.333342      6.432800
  C      -3.628709      3.467741      7.648724
  C      -2.314850      2.696757      7.479911
  N      -1.627769      3.047188      6.174636
  C      -0.751002      1.928196      5.704086
  C      -1.588485      0.901260      4.907383
  C      -0.861041      4.342910      6.290005
  C      -1.275008      5.234508      5.126740
  N      -2.735326      5.168456      5.100504
  H      -1.304424      0.949005      3.835364
  H      -1.379121     -0.124980      5.259562
  H       0.020770      2.362672      5.056702
  H      -0.251733      1.482495      6.578967
  H      -0.908003      6.262898      5.277592
  H      -0.863070      4.857260      4.177521
  H      -1.149329      4.816158      7.239125
  H       0.219019      4.135032      6.333554
  H      -4.156572      3.047248      8.521757
  H      -3.434238      4.530257      7.883568
  H      -2.530803      1.624523      7.436077
  H      -1.617131      2.892453      8.310402
  C      -3.933281      0.915220      4.117052
  C      -5.001605     -0.109734      4.511979
  C      -6.218396     -0.074429      3.564200
  C      -5.806060     -0.044699      2.117793
  N      -5.733585      1.154044      1.545848
  C      -5.267125      1.209519      0.269628
  N      -4.847647      0.210331     -0.479038
  C      -4.926894     -1.034788      0.081326
  C      -4.502713     -2.158205     -0.668775
  C      -4.574523     -3.421454     -0.121007
  C      -5.071380     -3.613104      1.190006
  C      -5.490525     -2.536211      1.942352
  C      -5.426052     -1.224722      1.408610
  C      -3.363247      6.217053      5.900201
  C      -3.532487      7.503584      5.073292
  C      -4.573974      7.355798      3.971147
  C      -6.004506      7.350938      4.454085
  N      -6.250188      7.794386      5.679508
  C      -7.542764      7.780061      6.105982
  N      -8.604191      7.361765      5.446060
  C      -8.382087      6.920192      4.171434
  C      -9.481550      6.477209      3.395346
  C      -9.280251      6.034542      2.105997
  C      -7.980097      6.012496      1.546458
  C      -6.891122      6.429473      2.283881
  C      -7.066751      6.894530      3.610518
  C      -5.854694      3.056712      6.570636
  C      -6.727157      4.318970      6.573832
  C      -8.224464      4.022184      6.558632
  C      -8.770545      3.564939      5.227127
  N      -7.918909      3.342454      4.234239
  C      -8.433951      2.947472      3.036936
  N      -9.697246      2.730855      2.735159
  C     -10.597329      2.954592      3.740199
  C     -11.975450      2.762962      3.481921
  C     -12.902483      2.999844      4.474922
  C     -12.490071      3.433724      5.756943
  C     -11.152390      3.625584      6.035291
  C     -10.177477      3.390297      5.035913
  H      -3.477217      0.663617      3.140106
  H      -4.554969      1.870781      3.866795
  H      -5.328992      0.086906      5.542621
  H      -4.523864     -1.102030      4.502176
  H      -6.869858     -0.933800      3.773455
  H      -6.793440      0.840092      3.762331
  H      -5.232036      2.210253     -0.173520
  H      -4.130922     -1.989092     -1.679437
  H      -4.250369     -4.285962     -0.701293
  H      -5.126578     -4.621043      1.603652
  H      -5.878446     -2.697394      2.948162
  H      -4.349793      5.879238      6.240463
  H      -2.764263      6.456244      6.800088
  H      -2.565112      7.793678      4.636116
  H      -3.834581      8.300632      5.768030
  H      -4.474130      8.173774      3.236427
  H      -4.385356      6.430921      3.401910
  H      -7.706177      8.154656      7.121405
  H     -10.474210      6.497506      3.846841
  H     -10.125646      5.684720      1.512391
  H      -7.843264      5.659101      0.524103
  H      -5.894058      6.405287      1.843400
  H      -6.039052      2.460614      7.484848
  H      -6.173884      2.444948      5.710197
  H      -6.487506      4.939207      7.452212
  H      -6.468783      4.905445      5.681122
  H      -8.474255      3.258207      7.318136
  H      -8.779139      4.925119      6.860344
  H      -7.698735      2.780647      2.248631
  H     -12.269689      2.431047      2.485317
  H     -13.964099      2.855095      4.273172
  H     -13.236951      3.620181      6.528910
  H     -10.848169      3.966156      7.025257
  N      -2.555807      3.245557      3.121152
  N      -2.327769      3.221718      1.849833
  H      -2.258304      2.338168      1.342408
  H      -2.392662      4.084611      1.307346
99
Coordinates from ORCA-job orca E -6258.898243093313
  N      -2.976514      1.251776      5.112445
  Mo     -3.318006      3.277557      4.789580
  N      -4.437546      3.343046      6.423306
  C      -3.629251      3.478063      7.639332
  C      -2.313982      2.710254      7.472952
  N      -1.627075      3.055673      6.166448
  C      -0.750646      1.934004      5.701913
  C      -1.588698      0.903751      4.911279
  C      -0.858451      4.350439      6.277437
  C      -1.273536      5.240380      5.113670
  N      -2.734025      5.174646      5.088516
  H      -1.303959      0.945448      3.839416
  H      -1.381760     -0.120789      5.268910
  H       0.020577      2.366218      5.052831
  H      -0.251805      1.493505      6.579288
  H      -0.906463      6.268745      5.263960
  H      -0.862703      4.862289      4.164538
  H      -1.144221      4.825838      7.225998
  H       0.220917      4.141121      6.319916
  H      -4.156671      3.055492      8.511308
  H      -3.437075      4.540552      7.876091
  H      -2.527944      1.637586      7.433397
  H      -1.616515      2.910821      8.302470
  C      -3.929310      0.914662      4.112678
  C      -4.997411     -0.111195      4.506164
  C      -6.212058     -0.081056      3.554779
  C      -5.799916     -0.070091      2.107692
  N      -5.725315      1.121257      1.520007
  C      -5.262561      1.159835      0.241886
  N      -4.849084      0.149936     -0.495845
  C      -4.931726     -1.088010      0.079618
  C      -4.516714     -2.222356     -0.659461
  C      -4.594033     -3.479088     -0.097347
  C      -5.086593     -3.652757      1.217792
  C      -5.495819     -2.564814      1.960259
  C      -5.426473     -1.259895      1.411367
  C      -3.358522      6.220056      5.897956
  C      -3.527632      7.516741      5.085478
  C      -4.582806      7.390898      3.993287
  C      -6.007047      7.383068      4.497764
  N      -6.233013      7.818284      5.730827
  C      -7.516374      7.795599      6.181921
  N      -8.587784      7.373456      5.540835
  C      -8.387567      6.941255      4.258673
  C      -9.499298      6.494362      3.501849
  C      -9.322342      6.067131      2.203332
  C      -8.034998      6.064193      1.615240
  C      -6.934390      6.483518      2.333756
  C      -7.083786      6.931158      3.670192
  C      -5.855972      3.070705      6.560850
  C      -6.726683      4.332661      6.540798
  C      -8.223341      4.036367      6.516770
  C      -8.757160      3.566139      5.184852
  N      -7.897212      3.339066      4.199399
  C      -8.401916      2.933058      3.000749
  N      -9.663276      2.712699      2.691281
  C     -10.571625      2.940814      3.688504
  C     -11.947985      2.744341      3.422209
  C     -12.882782      2.983862      4.408013
  C     -12.480454      3.424897      5.690829
  C     -11.144688      3.621690      5.977058
  C     -10.162317      3.383869      4.985056
  H      -3.469370      0.661413      3.138097
  H      -4.551797      1.867373      3.860688
  H      -5.330246      0.088622      5.534346
  H      -4.518313     -1.102641      4.502278
  H      -6.867831     -0.934908      3.773671
  H      -6.783265      0.838379      3.742079
  H      -5.225770      2.154759     -0.213691
  H      -4.147600     -2.066925     -1.673362
  H      -4.277930     -4.352286     -0.669411
  H      -5.146290     -4.655786      1.642402
  H      -5.880050     -2.712106      2.969680
  H      -4.346239      5.881568      6.234318
  H      -2.759222      6.447369      6.800640
  H      -2.562991      7.802215      4.639568
  H      -3.815503      8.310752      5.788951
  H      -4.488402      8.222372      3.272521
  H      -4.405145      6.475733      3.405663
  H      -7.662598      8.164944      7.201849
  H     -10.482297      6.502334      3.974847
  H     -10.177430      5.716278      1.623937
  H      -7.916672      5.721719      0.586667
  H      -5.948241      6.476234      1.869757
  H      -6.043919      2.491177      7.484717
  H      -6.173007      2.442808      5.712017
  H      -6.492029      4.964925      7.410512
  H      -6.462182      4.904498      5.641227
  H      -8.480139      3.281670      7.282489
  H      -8.780042      4.942994      6.803285
  H      -7.659158      2.753281      2.220488
  H     -12.235019      2.406134      2.425254
  H     -13.943014      2.834741      4.199927
  H     -13.233404      3.612240      6.457328
  H     -10.847484      3.967501      6.967622
  N      -2.552094      3.243205      3.114848
  N      -2.324803      3.210869      1.844129
  H      -2.248934      2.321796      1.344502
  H      -2.390697      4.066728      1.291114
99
Coordinates from ORCA-job orca E -6258.898367986297
  N      -2.981891      1.250837      5.117189
  Mo     -3.321155      3.276078      4.789254
  N      -4.441416      3.345290      6.421890
  C      -3.632914      3.475852      7.638145
  C      -2.314024      2.713993      7.470562
  N      -1.628799      3.056931      6.161874
  C      -0.753293      1.931963      5.702120
  C      -1.593436      0.900742      4.916960
  C      -0.857891      4.350805      6.269140
  C      -1.275639      5.240528      5.105514
  N      -2.736497      5.174970      5.082847
  H      -1.311514      0.941630      3.844467
  H      -1.387930     -0.123511      5.275432
  H       0.018048      2.362071      5.052045
  H      -0.255710      1.495365      6.581844
  H      -0.908330      6.268982      5.254796
  H      -0.867264      4.860603      4.156159
  H      -1.141190      4.827280      7.217792
  H       0.221232      4.139138      6.308740
  H      -4.159216      3.043965      8.506466
  H      -3.446521      4.537812      7.883234
  H      -2.524318      1.640532      7.434329
  H      -1.615552      2.919699      8.297629
  C      -3.930771      0.908322      4.115018
  C      -4.999210     -0.117360      4.508678
  C      -6.215158     -0.087982      3.558265
  C      -5.808847     -0.082764      2.109050
  N      -5.745694      1.105802      1.513854
  C      -5.292419      1.140982      0.232347
  N      -4.877345      0.129812     -0.503181
  C      -4.949366     -1.105829      0.078717
  C      -4.535420     -2.241590     -0.659174
  C      -4.604353     -3.496443     -0.091507
  C      -5.086239     -3.666010      1.228022
  C      -5.493356     -2.576304      1.970311
  C      -5.433439     -1.273609      1.415521
  C      -3.358252      6.218870      5.896312
  C      -3.516826      7.517037      5.085320
  C      -4.582781      7.402012      4.000910
  C      -6.003167      7.410207      4.516777
  N      -6.215115      7.861802      5.746869
  C      -7.494998      7.856852      6.208245
  N      -8.577053      7.440949      5.579873
  C      -8.390402      6.990814      4.301233
  C      -9.512118      6.546437      3.558096
  C      -9.349709      6.098881      2.264153
  C      -8.067276      6.072732      1.667958
  C      -6.956973      6.490620      2.372770
  C      -7.090488      6.958196      3.703814
  C      -5.861861      3.083656      6.560896
  C      -6.725580      4.349517      6.532290
  C      -8.222392      4.058768      6.493134
  C      -8.739529      3.576584      5.159490
  N      -7.869721      3.364908      4.178829
  C      -8.359781      2.945552      2.978512
  N      -9.616586      2.708941      2.661297
  C     -10.535264      2.922279      3.652649
  C     -11.907489      2.705443      3.378671
  C     -12.851803      2.927069      4.360039
  C     -12.463808      3.369730      5.646165
  C     -11.132266      3.586421      5.940016
  C     -10.140528      3.367726      4.952407
  H      -3.467115      0.653108      3.142822
  H      -4.553057      1.859045      3.861523
  H      -5.334100      0.083691      5.536003
  H      -4.521037     -1.109292      4.506616
  H      -6.871932     -0.939930      3.782493
  H      -6.784920      0.833278      3.743365
  H      -5.266683      2.133754     -0.228686
  H      -4.174232     -2.089410     -1.676519
  H      -4.290174     -4.371238     -0.663081
  H      -5.139220     -4.667694      1.656081
  H      -5.868767     -2.719872      2.983673
  H      -4.349260      5.882633      6.225177
  H      -2.763265      6.437757      6.803739
  H      -2.552508      7.787414      4.628866
  H      -3.787423      8.319087      5.785904
  H      -4.484606      8.236583      3.284248
  H      -4.416668      6.487287      3.410480
  H      -7.628641      8.238053      7.225634
  H     -10.491593      6.573255      4.037781
  H     -10.213332      5.751404      1.695280
  H      -7.959938      5.713085      0.643900
  H      -5.974903      6.468508      1.900707
  H      -6.052525      2.513569      7.489900
  H      -6.181942      2.449157      5.718803
  H      -6.494422      4.981968      7.401779
  H      -6.452494      4.917470      5.632900
  H      -8.493269      3.316655      7.265279
  H      -8.778923      4.972301      6.758604
  H      -7.606851      2.769531      2.204367
  H     -12.184217      2.366001      2.379573
  H     -13.908803      2.761943      4.145908
  H     -13.224372      3.542261      6.408910
  H     -10.845047      3.933767      6.932812
  N      -2.555002      3.233649      3.115336
  N      -2.330687      3.200260      1.845096
  H      -2.274559      2.310389      1.342941
  H      -2.397373      4.054692      1.287736
99
Coordinates from ORCA-job orca E -6258.898448655174
  N      -2.984069      1.248528      5.131154
  Mo     -3.322967      3.269862      4.793115
  N      -4.442084      3.344621      6.428089
  C      -3.630046      3.481405      7.641515
  C      -2.309494      2.723106      7.474387
  N      -1.628170      3.060090      6.162051
  C      -0.753358      1.932862      5.707732
  C      -1.595453      0.895514      4.933696
  C      -0.856740      4.354153      6.262518
  C      -1.277407      5.238276      5.095392
  N      -2.737855      5.171455      5.074456
  H      -1.315090      0.926948      3.860728
  H      -1.391699     -0.125740      5.300397
  H       0.014698      2.359655      5.052039
  H      -0.251916      1.504038      6.588742
  H      -0.910921      6.267672      5.240010
  H      -0.869686      4.853652      4.147725
  H      -1.140588      4.835416      7.208414
  H       0.221834      4.141725      6.302046
  H      -4.153103      3.048648      8.511503
  H      -3.447762      4.544811      7.884256
  H      -2.517078      1.648960      7.445105
  H      -1.608353      2.936292      8.297163
  C      -3.930672      0.900137      4.128723
  C      -4.999056     -0.124591      4.523294
  C      -6.217159     -0.090641      3.575975
  C      -5.814546     -0.074615      2.125513
  N      -5.754928      1.118887      1.538762
  C      -5.306874      1.165374      0.255546
  N      -4.894350      0.160665     -0.489954
  C      -4.962079     -1.079846      0.082752
  C      -4.550638     -2.208974     -0.666264
  C      -4.614964     -3.468471     -0.107639
  C      -5.089580     -3.648971      1.213114
  C      -5.493979     -2.565798      1.966783
  C      -5.438964     -1.258656      1.421411
  C      -3.360583      6.216101      5.887883
  C      -3.520393      7.515564      5.078879
  C      -4.582405      7.403364      3.988822
  C      -6.004747      7.402212      4.499652
  N      -6.220540      7.828243      5.738641
  C      -7.500759      7.813677      6.196386
  N      -8.580651      7.409034      5.557867
  C      -8.390671      6.982748      4.271235
  C      -9.509064      6.546705      3.519270
  C      -9.343314      6.119624      2.218550
  C      -8.060559      6.108616      1.623463
  C      -6.953210      6.520319      2.336799
  C      -7.089793      6.964490      3.675794
  C      -5.861053      3.080654      6.578514
  C      -6.726284      4.346336      6.560580
  C      -8.222611      4.053619      6.511655
  C      -8.732885      3.575455      5.173616
  N      -7.860581      3.375218      4.193140
  C      -8.345143      2.956653      2.990158
  N      -9.599611      2.716132      2.669916
  C     -10.522368      2.921541      3.659721
  C     -11.893379      2.700958      3.381705
  C     -12.841059      2.912483      4.362601
  C     -12.457692      3.348196      5.652441
  C     -11.127311      3.568335      5.950232
  C     -10.132357      3.360115      4.963075
  H      -3.465699      0.642560      3.157918
  H      -4.553908      1.848644      3.872129
  H      -5.331372      0.074988      5.551608
  H      -4.523457     -1.117656      4.517600
  H      -6.872465     -0.944676      3.796157
  H      -6.787702      0.828756      3.767684
  H      -5.284755      2.161964     -0.197983
  H      -4.194851     -2.048703     -1.684588
  H      -4.302983     -4.338283     -0.688196
  H      -5.138931     -4.654286      1.633067
  H      -5.863721     -2.716600      2.981452
  H      -4.351549      5.878349      6.214816
  H      -2.766845      6.432525      6.796607
  H      -2.555347      7.785257      4.623352
  H      -3.791858      8.320012      5.776428
  H      -4.483322      8.242746      3.278048
  H      -4.407760      6.491992      3.394912
  H      -7.636884      8.174351      7.221182
  H     -10.488864      6.562623      3.998498
  H     -10.204685      5.777393      1.643281
  H      -7.949989      5.764711      0.594022
  H      -5.970238      6.510815      1.865710
  H      -6.041646      2.510542      7.509405
  H      -6.187524      2.446746      5.739001
  H      -6.499999      4.968753      7.438545
  H      -6.450367      4.925138      5.668681
  H      -8.498818      3.310098      7.280476
  H      -8.781801      4.966013      6.775454
  H      -7.588079      2.785915      2.217511
  H     -12.166984      2.366591      2.379985
  H     -13.897393      2.744397      4.145207
  H     -13.221161      3.512393      6.414534
  H     -10.842758      3.909515      6.945874
  N      -2.560092      3.215203      3.117088
  N      -2.340151      3.156746      1.847350
  H      -2.284869      2.256990      1.362227
  H      -2.399515      3.999342      1.271134
99
Coordinates from ORCA-job orca E -6258.898484555676
  N      -2.987153      1.251536      5.126672
  Mo     -3.325278      3.271847      4.790340
  N      -4.443417      3.345987      6.426735
  C      -3.629615      3.482209      7.639024
  C      -2.309003      2.723986      7.469964
  N      -1.628752      3.061002      6.156958
  C      -0.755401      1.933264      5.701764
  C      -1.599028      0.897045      4.927968
  C      -0.856135      4.354481      6.256879
  C      -1.277526      5.238405      5.089453
  N      -2.738009      5.173112      5.070191
  H      -1.319234      0.928640      3.854963
  H      -1.396318     -0.124488      5.294134
  H       0.012627      2.359118      5.045515
  H      -0.253208      1.503824      6.582005
  H      -0.909853      6.267647      5.232722
  H      -0.870943      4.852222      4.141951
  H      -1.139580      4.836502      7.202518
  H       0.222305      4.140991      6.295661
  H      -4.151615      3.047751      8.508946
  H      -3.447975      4.545584      7.882817
  H      -2.516721      1.649870      7.441108
  H      -1.606380      2.937325      8.291374
  C      -3.935120      0.903449      4.125055
  C      -5.001318     -0.122655      4.520870
  C      -6.218020     -0.093946      3.572298
  C      -5.812648     -0.082240      2.122609
  N      -5.753282      1.109384      1.531873
  C      -5.304085      1.151615      0.248709
  N      -4.890975      0.144590     -0.493273
  C      -4.956935     -1.093977      0.084282
  C      -4.543009     -2.225247     -0.660016
  C      -4.603818     -3.482479     -0.095558
  C      -5.077924     -3.658492      1.226029
  C      -5.485381     -2.573133      1.975036
  C      -5.433564     -1.268040      1.423759
  C      -3.357989      6.217392      5.886154
  C      -3.520042      7.515983      5.077110
  C      -4.586848      7.401150      3.991859
  C      -6.006076      7.403886      4.509191
  N      -6.214416      7.828082      5.749746
  C      -7.492049      7.815966      6.213609
  N      -8.575494      7.414033      5.580240
  C      -8.393010      6.987718      4.292706
  C      -9.515316      6.552083      3.547186
  C      -9.356390      6.122397      2.246543
  C      -8.076550      6.109041      1.645134
  C      -6.965403      6.521011      2.352182
  C      -7.095530      6.968142      3.690717
  C      -5.862455      3.081347      6.580210
  C      -6.729297      4.346816      6.566439
  C      -8.225557      4.052906      6.509291
  C      -8.730218      3.580239      5.167505
  N      -7.855006      3.386261      4.188911
  C      -8.335293      2.971460      2.983186
  N      -9.587971      2.730705      2.658436
  C     -10.514421      2.932219      3.645588
  C     -11.884213      2.713121      3.361699
  C     -12.835339      2.921378      4.339870
  C     -12.456488      3.352291      5.632606
  C     -11.127232      3.570821      5.935963
  C     -10.128785      3.365789      4.951765
  H      -3.470944      0.646873      3.153787
  H      -4.559129      1.851599      3.869099
  H      -5.334199      0.077962      5.548820
  H      -4.523790     -1.114894      4.516917
  H      -6.871467     -0.948866      3.794006
  H      -6.791067      0.824655      3.759803
  H      -5.282190      2.146679     -0.208382
  H      -4.187608     -2.068596     -1.679239
  H      -4.289357     -4.353914     -0.672500
  H      -5.124299     -4.662149      1.650425
  H      -5.854824     -2.720023      2.990513
  H      -4.347394      5.879363      6.216863
  H      -2.761245      6.433546      6.792929
  H      -2.557082      7.783685      4.616053
  H      -3.787215      8.323014      5.773575
  H      -4.489786      8.236438      3.276277
  H      -4.414932      6.485824      3.402856
  H      -7.622256      8.175000      7.239835
  H     -10.492319      6.569411      4.031624
  H     -10.220538      5.779010      1.676596
  H      -7.971334      5.762783      0.615909
  H      -5.984059      6.508483      1.877031
  H      -6.039370      2.510500      7.511045
  H      -6.190659      2.448076      5.740812
  H      -6.508403      4.963078      7.450358
  H      -6.450173      4.933248      5.680477
  H      -8.505595      3.306088      7.273415
  H      -8.787153      4.963652      6.773791
  H      -7.575498      2.806685      2.212103
  H     -12.154212      2.382633      2.357849
  H     -13.890930      2.754687      4.118027
  H     -13.222740      3.514360      6.392182
  H     -10.846050      3.908287      6.933701
  N      -2.566781      3.217020      3.111678
  N      -2.350804      3.156224      1.841554
  H      -2.300992      2.256419      1.357093
  H      -2.406393      3.998939      1.264954
99
Coordinates from ORCA-job orca E -6258.898511023989
  N      -2.993621      1.255316      5.123787
  Mo     -3.328410      3.276147      4.790110
  N      -4.444827      3.349458      6.429162
  C      -3.629704      3.483248      7.640744
  C      -2.310014      2.723466      7.468894
  N      -1.630626      3.061006      6.155304
  C      -0.759959      1.932319      5.697656
  C      -1.606344      0.898167      4.923561
  C      -0.855532      4.353244      6.255580
  C      -1.276409      5.237927      5.088188
  N      -2.736943      5.175829      5.070957
  H      -1.326809      0.929564      3.850488
  H      -1.405636     -0.124048      5.289146
  H       0.008080      2.357047      5.040552
  H      -0.256668      1.500905      6.576391
  H      -0.906221      6.266519      5.230118
  H      -0.871344      4.849920      4.140745
  H      -1.138045      4.835652      7.201318
  H       0.222579      4.137697      6.293105
  H      -4.151252      3.046971      8.510265
  H      -3.447429      4.546154      7.886499
  H      -2.519239      1.649619      7.439304
  H      -1.605506      2.935112      8.289118
  C      -3.943295      0.910208      4.122098
  C      -5.008423     -0.117108      4.517869
  C      -6.223911     -0.092266      3.567779
  C      -5.815996     -0.084796      2.118746
  N      -5.756206      1.104993      1.524529
  C      -5.307395      1.142588      0.240932
  N      -4.896298      0.132884     -0.498469
  C      -4.961184     -1.103715      0.083735
  C      -4.547565     -2.237499     -0.656595
  C      -4.605735     -3.492426     -0.086386
  C      -5.077522     -3.663677      1.236708
  C      -5.485664     -2.575895      1.981506
  C      -5.436200     -1.272827      1.424445
  C      -3.353614      6.221030      5.887259
  C      -3.515394      7.516942      5.075170
  C      -4.585492      7.397729      3.993616
  C      -6.002916      7.404889      4.514490
  N      -6.207431      7.827406      5.755815
  C      -7.484593      7.820912      6.221164
  N      -8.570437      7.425818      5.588220
  C      -8.391470      6.998892      4.300494
  C      -9.516157      6.567563      3.556226
  C      -9.360222      6.137601      2.255341
  C      -8.081015      6.120119      1.652245
  C      -6.967609      6.527768      2.358041
  C      -7.095039      6.974833      3.696989
  C      -5.864108      3.085842      6.584647
  C      -6.731311      4.351578      6.574136
  C      -8.226782      4.055513      6.509181
  C      -8.725122      3.583251      5.164711
  N      -7.847267      3.399638      4.186925
  C      -8.323301      2.985079      2.979391
  N      -9.573343      2.734263      2.652677
  C     -10.502928      2.925664      3.638767
  C     -11.870473      2.698404      3.351200
  C     -12.824656      2.898398      4.327726
  C     -12.450902      3.328447      5.622250
  C     -11.123755      3.554641      5.929009
  C     -10.122096      3.358881      4.946496
  H      -3.479481      0.655749      3.150134
  H      -4.567591      1.858565      3.866870
  H      -5.341628      0.083596      5.545781
  H      -4.529254     -1.108656      4.514837
  H      -6.876532     -0.947510      3.790826
  H      -6.798727      0.825968      3.751077
  H      -5.284320      2.136319     -0.219057
  H      -4.194002     -2.084717     -1.677116
  H      -4.290782     -4.365640     -0.660166
  H      -5.121546     -4.665630      1.665695
  H      -5.853687     -2.718851      2.998110
  H      -4.342173      5.884310      6.221539
  H      -2.754333      6.438394      6.791952
  H      -2.553531      7.781693      4.609916
  H      -3.779049      8.327134      5.769163
  H      -4.489425      8.226882      3.271047
  H      -4.415419      6.477167      3.412045
  H      -7.612190      8.179332      7.247796
  H     -10.492475      6.588451      4.041850
  H     -10.226153      5.797576      1.686031
  H      -7.978547      5.774234      0.622560
  H      -5.986492      6.511313      1.882133
  H      -6.038741      2.514436      7.515507
  H      -6.193887      2.453414      5.745123
  H      -6.516343      4.961580      7.464388
  H      -6.449030      4.945840      5.694216
  H      -8.509830      3.307097      7.270957
  H      -8.791370      4.965221      6.771526
  H      -7.561837      2.829121      2.209009
  H     -12.136318      2.369124      2.345951
  H     -13.878616      2.726196      4.103100
  H     -13.219675      3.484297      6.380238
  H     -10.846624      3.891959      6.927909
  N      -2.572347      3.221828      3.111390
  N      -2.353286      3.161677      1.841576
  H      -2.307066      2.262566      1.355536
  H      -2.407450      4.005865      1.267502
99
Coordinates from ORCA-job orca E -6258.898526994340
  N      -2.995761      1.257861      5.122619
  Mo     -3.330572      3.277871      4.790135
  N      -4.444552      3.350144      6.431610
  C      -3.627603      3.484445      7.641942
  C      -2.307778      2.725326      7.467968
  N      -1.630782      3.062634      6.153139
  C      -0.761124      1.934128      5.693845
  C      -1.609004      0.899108      4.922308
  C      -0.855271      4.354588      6.251974
  C      -1.277168      5.238561      5.084495
  N      -2.737521      5.177304      5.069517
  H      -1.329952      0.927497      3.848975
  H      -1.409045     -0.122496      5.290149
  H       0.005019      2.358449      5.034185
  H      -0.254887      1.503327      6.571339
  H      -0.906167      6.266963      5.224998
  H      -0.873506      4.849768      4.136781
  H      -1.136453      4.837644      7.197743
  H       0.222730      4.138846      6.288098
  H      -4.147139      3.047146      8.512316
  H      -3.445965      4.547415      7.887906
  H      -2.516448      1.651384      7.439443
  H      -1.602033      2.937699      8.286923
  C      -3.946099      0.912706      4.121124
  C      -5.008642     -0.117422      4.516602
  C      -6.223012     -0.096889      3.565084
  C      -5.814026     -0.094264      2.116361
  N      -5.752780      1.093506      1.518335
  C      -5.305680      1.125799      0.233937
  N      -4.898628      0.112795     -0.503104
  C      -4.963823     -1.121567      0.083825
  C      -4.553306     -2.258525     -0.653161
  C      -4.610852     -3.511112     -0.077665
  C      -5.079052     -3.676977      1.247524
  C      -5.484946     -2.586181      1.988654
  C      -5.436145     -1.285264      1.426135
  C      -3.352332      6.223594      5.885800
  C      -3.515971      7.518360      5.071952
  C      -4.591537      7.398578      3.995699
  C      -6.006502      7.411377      4.522971
  N      -6.203767      7.829222      5.766894
  C      -7.478771      7.825000      6.238393
  N      -8.568444      7.435527      5.609115
  C      -8.397104      7.013118      4.318868
  C      -9.526267      6.585908      3.578927
  C      -9.377735      6.161668      2.275380
  C      -8.101763      6.145971      1.665083
  C      -6.984154      6.548723      2.366707
  C      -7.104032      6.989244      3.708566
  C      -5.863302      3.085151      6.589691
  C      -6.731127      4.350380      6.579522
  C      -8.225788      4.053731      6.505537
  C      -8.717195      3.585096      5.157328
  N      -7.835768      3.409740      4.181070
  C      -8.307041      2.999537      2.970013
  N      -9.554847      2.744524      2.638969
  C     -10.488005      2.927933      3.623384
  C     -11.853807      2.697003      3.330533
  C     -12.811858      2.890120      4.304812
  C     -12.443600      3.316106      5.602207
  C     -11.118173      3.545018      5.914160
  C     -10.112702      3.356528      4.934077
  H      -3.481982      0.660090      3.148702
  H      -4.572135      1.859978      3.866778
  H      -5.343011      0.083149      5.544211
  H      -4.526687     -1.107619      4.514762
  H      -6.875147     -0.952036      3.790109
  H      -6.799007      0.821234      3.744534
  H      -5.280540      2.117891     -0.229371
  H      -4.202384     -2.109981     -1.675193
  H      -4.297915     -4.386564     -0.648781
  H      -5.122265     -4.677138      1.681009
  H      -5.850619     -2.724972      3.006685
  H      -4.339918      5.887262      6.223453
  H      -2.750518      6.442221      6.788453
  H      -2.556054      7.780622      4.601385
  H      -3.774716      8.330372      5.765705
  H      -4.496404      8.223345      3.268105
  H      -4.427003      6.474234      3.418010
  H      -7.600834      8.179543      7.266889
  H     -10.500001      6.606055      4.069829
  H     -10.247036      5.825336      1.709056
  H      -8.005327      5.804867      0.633353
  H      -6.005624      6.533092      1.885741
  H      -6.035848      2.514891      7.521671
  H      -6.193470      2.451420      5.751264
  H      -6.522028      4.955798      7.474672
  H      -6.444670      4.950063      5.704617
  H      -8.513333      3.303714      7.264071
  H      -8.791679      4.962927      6.766646
  H      -7.543343      2.849869      2.200979
  H     -12.115297      2.370982      2.323065
  H     -13.864541      2.715740      4.076081
  H     -13.215447      3.466530      6.358314
  H     -10.845405      3.879203      6.915277
  N      -2.575080      3.223617      3.111440
  N      -2.353537      3.159389      1.842269
  H      -2.304921      2.258589      1.359477
  H      -2.409173      4.001618      1.266043
99
Coordinates from ORCA-job orca E -6258.898540620298
  N      -3.000003      1.261216      5.120028
  Mo     -3.333150      3.281713      4.789543
  N      -4.444339      3.352616      6.433052
  C      -3.626043      3.484877      7.642531
  C      -2.306604      2.725876      7.465671
  N      -1.631663      3.063775      6.150227
  C      -0.763936      1.935249      5.688189
  C      -1.614148      0.900631      4.918442
  C      -0.854918      4.354698      6.248857
  C      -1.277687      5.239909      5.082974
  N      -2.737983      5.179936      5.069743
  H      -1.336193      0.927490      3.844794
  H      -1.414898     -0.120844      5.287004
  H       0.000465      2.359393      5.026404
  H      -0.255255      1.503877      6.564010
  H      -0.905629      6.267789      5.223886
  H      -0.875563      4.851928      4.134323
  H      -1.133541      4.837136      7.195634
  H       0.222935      4.138155      6.282718
  H      -4.144090      3.045994      8.512969
  H      -3.444041      4.547411      7.890105
  H      -2.515404      1.651993      7.436867
  H      -1.599743      2.937560      8.283882
  C      -3.951554      0.917413      4.118867
  C      -5.012374     -0.114529      4.514281
  C      -6.226226     -0.096703      3.562317
  C      -5.817593     -0.100626      2.113538
  N      -5.755370      1.084400      1.510151
  C      -5.310943      1.109902      0.224707
  N      -4.907933      0.092742     -0.508848
  C      -4.973039     -1.138672      0.084254
  C      -4.565471     -2.279651     -0.648204
  C      -4.621705     -3.529205     -0.066051
  C      -5.085707     -3.688146      1.261549
  C      -5.489517     -2.593492      1.997858
  C      -5.441996     -1.295456      1.428502
  C      -3.350477      6.225965      5.888848
  C      -3.515719      7.522271      5.076965
  C      -4.593912      7.404680      4.003225
  C      -6.008004      7.419463      4.533287
  N      -6.202580      7.831816      5.779530
  C      -7.477006      7.827791      6.253242
  N      -8.568075      7.442255      5.624188
  C      -8.399466      7.024711      4.331770
  C      -9.530099      6.599889      3.592274
  C      -9.384069      6.182068      2.286298
  C      -8.109599      6.171402      1.672520
  C      -6.990651      6.571080      2.373684
  C      -7.107781      7.003536      3.718522
  C      -5.863018      3.088361      6.591565
  C      -6.729480      4.354185      6.583161
  C      -8.223674      4.058598      6.501092
  C      -8.708056      3.589674      5.150175
  N      -7.823110      3.423661      4.175226
  C      -8.289144      3.013079      2.961783
  N      -9.534240      2.749485      2.627432
  C     -10.470530      2.922967      3.610552
  C     -11.833757      2.682205      3.313973
  C     -12.795279      2.865530      4.286660
  C     -12.433020      3.290874      5.586020
  C     -11.110150      3.528965      5.901634
  C     -10.101263      3.350738      4.923247
  H      -3.487696      0.666355      3.145797
  H      -4.578377      1.864123      3.865627
  H      -5.347543      0.086262      5.541555
  H      -4.528542     -1.103799      4.513741
  H      -6.879225     -0.950445      3.790640
  H      -6.801665      0.822601      3.737923
  H      -5.284759      2.099762     -0.243155
  H      -4.217499     -2.136420     -1.671950
  H      -4.310636     -4.407618     -0.633533
  H      -5.127499     -4.685903      1.700761
  H      -5.852215     -2.727230      3.017567
  H      -4.337466      5.889864      6.228785
  H      -2.746215      6.443239      6.790241
  H      -2.556907      7.784908      4.604521
  H      -3.772384      8.333016      5.773120
  H      -4.499186      8.228179      3.274061
  H      -4.432869      6.479228      3.425746
  H      -7.597118      8.178289      7.283321
  H     -10.502911      6.616961      4.085331
  H     -10.254475      5.848293      1.719948
  H      -8.015543      5.836446      0.638540
  H      -6.013426      6.559672      1.890070
  H      -6.035856      2.517216      7.523019
  H      -6.193470      2.455574      5.752503
  H      -6.524421      4.954722      7.482773
  H      -6.438773      4.958550      5.712854
  H      -8.516225      3.309745      7.258900
  H      -8.789713      4.969034      6.758183
  H      -7.523645      2.869886      2.193554
  H     -12.090502      2.356857      2.304984
  H     -13.846017      2.683769      4.055078
  H     -13.207556      3.433407      6.340866
  H     -10.842228      3.862700      6.904285
  N      -2.577457      3.227238      3.111037
  N      -2.351437      3.159899      1.842552
  H      -2.308555      2.257917      1.361312
  H      -2.409431      4.000806      1.264821
99
Coordinates from ORCA-job orca E -6258.898549292134
  N      -3.000280      1.262921      5.119781
  Mo     -3.333803      3.283673      4.789999
  N      -4.442537      3.353357      6.434773
  C      -3.623070      3.485265      7.643402
  C      -2.303590      2.726884      7.464717
  N      -1.630714      3.065348      6.148579
  C      -0.763474      1.937331      5.684525
  C      -1.614859      0.901698      4.917526
  C      -0.853996      4.356192      6.246364
  C      -1.278320      5.242142      5.081852
  N      -2.738618      5.181598      5.070154
  H      -1.337909      0.926554      3.843516
  H      -1.415260     -0.119186      5.287635
  H      -0.001434      2.362050      5.020351
  H      -0.252036      1.506641      6.559122
  H      -0.906448      6.270015      5.223399
  H      -0.877312      4.855591      4.132109
  H      -1.130412      4.838106      7.194104
  H       0.224006      4.139848      6.278431
  H      -4.139720      3.046178      8.514574
  H      -3.440832      4.547755      7.890965
  H      -2.511917      1.652879      7.436058
  H      -1.596218      2.938595      8.282516
  C      -3.952460      0.918970      4.119232
  C      -5.012028     -0.114300      4.514692
  C      -6.226124     -0.096836      3.563187
  C      -5.818866     -0.104335      2.114024
  N      -5.755351      1.079163      1.507878
  C      -5.313385      1.100931      0.221567
  N      -4.913793      0.081325     -0.510541
  C      -4.979893     -1.148491      0.085569
  C      -4.575781     -2.291933     -0.645157
  C      -4.632757     -3.540027     -0.060096
  C      -5.094099     -3.695185      1.269014
  C      -5.494921     -2.598154      2.003408
  C      -5.446484     -1.301530      1.431044
  C      -3.350663      6.227344      5.890407
  C      -3.518010      7.524199      5.079370
  C      -4.597157      7.407092      4.007051
  C      -6.011018      7.423537      4.538264
  N      -6.204055      7.832526      5.785883
  C      -7.478263      7.828046      6.260913
  N      -8.570282      7.444521      5.631979
  C      -8.403294      7.031780      4.337663
  C      -9.535068      6.610202      3.597728
  C      -9.390612      6.197659      2.289890
  C      -8.116928      6.189349      1.674472
  C      -6.996873      6.585570      2.376086
  C      -7.112280      7.012205      3.722810
  C      -5.860679      3.087110      6.593613
  C      -6.728110      4.352190      6.587859
  C      -8.222073      4.056433      6.500484
  C      -8.701978      3.591181      5.146852
  N      -7.814234      3.432364      4.172968
  C      -8.276276      3.025167      2.956717
  N      -9.519806      2.758261      2.618709
  C     -10.458529      2.924039      3.600913
  C     -11.820246      2.678595      3.301064
  C     -12.784354      2.853938      4.272849
  C     -12.426284      3.275803      5.574528
  C     -11.104981      3.518217      5.893425
  C     -10.093644      3.347935      4.916036
  H      -3.489053      0.668460      3.145747
  H      -4.580249      1.865067      3.866929
  H      -5.347547      0.086252      5.541911
  H      -4.527148     -1.103008      4.514384
  H      -6.880356     -0.949107      3.793542
  H      -6.800128      0.823703      3.737622
  H      -5.286170      2.089576     -0.248716
  H      -4.229732     -2.151479     -1.669940
  H      -4.324271     -4.420324     -0.626138
  H      -5.136350     -4.691738      1.710935
  H      -5.855691     -2.729382      3.024164
  H      -4.337162      5.890968      6.231607
  H      -2.745109      6.444679      6.790869
  H      -2.559785      7.788236      4.606594
  H      -3.774847      8.333385      5.777186
  H      -4.502279      8.229695      3.276803
  H      -4.438801      6.481191      3.429538
  H      -7.597194      8.175947      7.292051
  H     -10.507483      6.625418      4.091790
  H     -10.261862      5.866260      1.723281
  H      -8.024285      5.858796      0.638983
  H      -6.020335      6.576169      1.891297
  H      -6.033106      2.513691      7.523791
  H      -6.190510      2.455506      5.753345
  H      -6.525338      4.949459      7.490171
  H      -6.435483      4.959880      5.720561
  H      -8.516930      3.306438      7.255974
  H      -8.788521      4.966666      6.757731
  H      -7.509117      2.886727      2.189201
  H     -12.073747      2.355981      2.290302
  H     -13.833899      2.668382      4.038749
  H     -13.202730      3.411985      6.328716
  H     -10.840394      3.849113      6.897971
  N      -2.577753      3.228946      3.111577
  N      -2.349027      3.157412      1.843674
  H      -2.308786      2.253592      1.365506
  H      -2.410895      3.995865      1.262509
99
Coordinates from ORCA-job orca E -6258.898554807678
  N      -3.001440      1.265071      5.118839
  Mo     -3.334231      3.286362      4.789405
  N      -4.441387      3.355641      6.434921
  C      -3.621275      3.486493      7.643074
  C      -2.302219      2.727729      7.463191
  N      -1.630350      3.066737      6.146763
  C      -0.763792      1.938714      5.681283
  C      -1.616402      0.902988      4.915919
  C      -0.853053      4.357201      6.244376
  C      -1.278171      5.244377      5.081088
  N      -2.738589      5.183822      5.070107
  H      -1.340156      0.926998      3.841694
  H      -1.416912     -0.117716      5.286545
  H      -0.003129      2.363810      5.015792
  H      -0.250906      1.508128      6.555064
  H      -0.906288      6.272138      5.223688
  H      -0.877894      4.859062      4.130514
  H      -1.127737      4.838599      7.192946
  H       0.224933      4.140383      6.275234
  H      -4.137612      3.047827      8.514570
  H      -3.437997      4.548788      7.890572
  H      -2.510934      1.653804      7.434083
  H      -1.594397      2.938696      8.280806
  C      -3.954232      0.921284      4.118964
  C      -5.013614     -0.111955      4.514996
  C      -6.227828     -0.094174      3.563858
  C      -5.821254     -0.105120      2.114496
  N      -5.755847      1.077006      1.505884
  C      -5.314698      1.095553      0.219277
  N      -4.917261      0.073810     -0.511035
  C      -4.985236     -1.154657      0.087505
  C      -4.583668     -2.300260     -0.641338
  C      -4.642592     -3.547169     -0.054025
  C      -5.103376     -3.698929      1.275675
  C      -5.501720     -2.599701      2.008302
  C      -5.451282     -1.304303      1.433588
  C      -3.349927      6.228679      5.892179
  C      -3.518363      7.526694      5.083172
  C      -4.597551      7.410817      4.011091
  C      -6.011439      7.426786      4.542482
  N      -6.204189      7.832483      5.791262
  C      -7.478239      7.825979      6.266693
  N      -8.570319      7.442383      5.637578
  C      -8.403556      7.033926      4.341812
  C      -9.535310      6.613594      3.601171
  C      -9.391157      6.205510      2.291849
  C      -8.117941      6.200597      1.675663
  C      -6.997795      6.595668      2.378032
  C      -7.112876      7.017649      3.726109
  C      -5.859196      3.087970      6.593565
  C      -6.727893      4.352345      6.589823
  C      -8.221592      4.055246      6.499673
  C      -8.698493      3.591793      5.144331
  N      -7.808812      3.438122      4.171369
  C      -8.267663      3.032294      2.953514
  N      -9.509923      2.762558      2.612832
  C     -10.450492      2.922448      3.594171
  C     -11.810915      2.672401      3.292276
  C     -12.776712      2.841154      4.263542
  C     -12.421816      3.261124      5.566745
  C     -11.101857      3.508185      5.887680
  C     -10.088870      3.344319      4.910882
  H      -3.491749      0.670446      3.145135
  H      -4.582191      1.867278      3.867326
  H      -5.349362      0.089123      5.542028
  H      -4.528728     -1.100617      4.515332
  H      -6.883759     -0.944611      3.796010
  H      -6.799812      0.827890      3.737122
  H      -5.286336      2.083186     -0.253108
  H      -4.237974     -2.162238     -1.666596
  H      -4.336151     -4.429223     -0.618547
  H      -5.147165     -4.694512      1.719561
  H      -5.861950     -2.728609      3.029554
  H      -4.336204      5.892093      6.233775
  H      -2.743502      6.444941      6.792277
  H      -2.560185      7.792444      4.611236
  H      -3.776047      8.334014      5.782866
  H      -4.502673      8.234123      3.281586
  H      -4.440173      6.485679      3.432101
  H      -7.596851      8.171795      7.298656
  H     -10.507553      6.626158      4.095620
  H     -10.262419      5.874791      1.724820
  H      -8.025605      5.873636      0.638998
  H      -6.021461      6.588920      1.892732
  H      -6.031450      2.512366      7.522473
  H      -6.188481      2.457480      5.752217
  H      -6.526292      4.948297      7.493158
  H      -6.434823      4.961495      5.723708
  H      -8.516738      3.304054      7.253758
  H      -8.789211      4.964728      6.757337
  H      -7.499198      2.898336      2.186362
  H     -12.062018      2.351377      2.280389
  H     -13.825218      2.651643      4.027873
  H     -13.199490      3.392121      6.320563
  H     -10.839684      3.837499      6.893407
  N      -2.578035      3.230878      3.110810
  N      -2.346881      3.156055      1.843466
  H      -2.311320      2.251095      1.367372
  H      -2.410332      3.992813      1.259528
99
Coordinates from ORCA-job orca E -6258.898559111484
  N      -3.001928      1.266592      5.118905
  Mo     -3.334271      3.288253      4.789291
  N      -4.440345      3.357381      6.435452
  C      -3.619791      3.487794      7.643305
  C      -2.301085      2.728602      7.462777
  N      -1.629937      3.067995      6.146002
  C      -0.763628      1.939951      5.679746
  C      -1.617026      0.903883      4.915856
  C      -0.852305      4.358336      6.243415
  C      -1.278023      5.246278      5.080762
  N      -2.738509      5.185545      5.070309
  H      -1.341072      0.926961      3.841520
  H      -1.417755     -0.116604      5.287200
  H      -0.004066      2.365363      5.013177
  H      -0.249537      1.509802      6.553047
  H      -0.906319      6.274032      5.224063
  H      -0.878127      4.861683      4.129723
  H      -1.126021      4.839507      7.192418
  H       0.225648      4.141113      6.273574
  H      -4.136137      3.049856      8.515120
  H      -3.435668      4.550026      7.890345
  H      -2.510126      1.654752      7.433381
  H      -1.592787      2.939089      8.280089
  C      -3.954879      0.922700      4.119349
  C      -5.014633     -0.110184      4.515564
  C      -6.228859     -0.091535      3.564394
  C      -5.822229     -0.104075      2.115002
  N      -5.754664      1.077499      1.505624
  C      -5.313329      1.094622      0.219076
  N      -4.917411      0.071778     -0.510559
  C      -4.987848     -1.156220      0.088557
  C      -4.588482     -2.302971     -0.639725
  C      -4.650312     -3.549544     -0.052030
  C      -5.111789     -3.699707      1.277587
  C      -5.507761     -2.599258      2.009863
  C      -5.454415     -1.304258      1.434699
  C      -3.349724      6.229775      5.893116
  C      -3.519111      7.528013      5.084768
  C      -4.597780      7.411533      4.012390
  C      -6.011798      7.426690      4.543359
  N      -6.204983      7.831042      5.792483
  C      -7.479086      7.823477      6.267555
  N      -8.570935      7.439464      5.638079
  C      -8.403666      7.033052      4.341740
  C      -9.535062      6.613481      3.600343
  C      -9.390551      6.207382      2.290415
  C      -8.117277      6.203598      1.674543
  C      -6.997358      6.598168      2.377699
  C      -7.112848      7.018305      3.726207
  C      -5.857843      3.088249      6.594301
  C      -6.727942      4.351827      6.592587
  C      -8.221299      4.052962      6.500975
  C      -8.696630      3.591897      5.144298
  N      -7.805973      3.442097      4.171625
  C      -8.263047      3.038378      2.952571
  N      -9.504644      2.767233      2.610270
  C     -10.446277      2.922923      3.591261
  C     -11.806021      2.670714      3.288159
  C     -12.772600      2.834699      4.259459
  C     -12.419372      3.252132      5.563945
  C     -11.100138      3.501517      5.886061
  C     -10.086332      3.342374      4.909258
  H      -3.493032      0.671368      3.145380
  H      -4.583013      1.868664      3.868193
  H      -5.350521      0.091053      5.542541
  H      -4.530170     -1.099052      4.515996
  H      -6.886220     -0.940658      3.797120
  H      -6.799263      0.831617      3.737174
  H      -5.283325      2.081951     -0.253895
  H      -4.242255     -2.166044     -1.664980
  H      -4.345742     -4.432586     -0.616106
  H      -5.157958     -4.695025      1.721770
  H      -5.868367     -2.727018      3.031150
  H      -4.335802      5.892818      6.234901
  H      -2.742986      6.445790      6.793048
  H      -2.560864      7.795145      4.613694
  H      -3.778161      8.334525      5.784880
  H      -4.503041      8.235018      3.283055
  H      -4.439946      6.486692      3.433159
  H      -7.597892      8.168654      7.299740
  H     -10.507452      6.625083      4.094468
  H     -10.261649      5.877059      1.722925
  H      -8.024624      5.878073      0.637454
  H      -6.020789      6.592116      1.892754
  H      -6.029307      2.510845      7.522237
  H      -6.187003      2.458707      5.752205
  H      -6.527202      4.946855      7.496556
  H      -6.435114      4.962180      5.727266
  H      -8.515756      3.299736      7.253246
  H      -8.790380      4.961047      6.760320
  H      -7.493792      2.907563      2.185655
  H     -12.055928      2.351712      2.275346
  H     -13.820526      2.643204      4.022858
  H     -13.197627      3.379357      6.317818
  H     -10.839125      3.828814      6.892729
  N      -2.578129      3.232062      3.110741
  N      -2.344560      3.154134      1.844006
  H      -2.311839      2.248051      1.369903
  H      -2.409382      3.989179      1.257377
99
Coordinates from ORCA-job orca E -6258.898561970452
  N      -3.003282      1.268542      5.118800
  Mo     -3.334767      3.290422      4.788992
  N      -4.439764      3.359710      6.436039
  C      -3.618643      3.489810      7.643527
  C      -2.300456      2.729927      7.462319
  N      -1.630028      3.069369      6.145074
  C      -0.764219      1.941073      5.678262
  C      -1.618591      0.904832      4.915723
  C      -0.851734      4.359408      6.242190
  C      -1.277736      5.247800      5.079828
  N      -2.738277      5.187499      5.070036
  H      -1.342871      0.926792      3.841321
  H      -1.419955     -0.115475      5.287833
  H      -0.005521      2.366423      5.010681
  H      -0.249077      1.511345      6.551129
  H      -0.905810      6.275454      5.223380
  H      -0.878331      4.863302      4.128552
  H      -1.124621      4.840680      7.191391
  H       0.226085      4.141503      6.271702
  H      -4.135004      3.052679      8.515691
  H      -3.433593      4.551999      7.890026
  H      -2.509986      1.656173      7.432821
  H      -1.591414      2.940021      8.279074
  C      -3.956391      0.924532      4.119521
  C      -5.016582     -0.107896      4.515970
  C      -6.230535     -0.088879      3.564464
  C      -5.823382     -0.103325      2.115250
  N      -5.753038      1.077651      1.505043
  C      -5.310765      1.093027      0.218807
  N      -4.916444      0.068872     -0.509839
  C      -4.989974     -1.158574      0.089957
  C      -4.592751     -2.306654     -0.637362
  C      -4.658049     -3.552751     -0.049078
  C      -5.120857     -3.700997      1.280231
  C      -5.514457     -2.599169      2.011807
  C      -5.457683     -1.304673      1.435955
  C      -3.348898      6.231530      5.893263
  C      -3.518350      7.529792      5.085170
  C      -4.597600      7.413393      4.013286
  C      -6.011227      7.428148      4.545126
  N      -6.203576      7.830756      5.794945
  C      -7.477191      7.822161      6.270925
  N      -8.569370      7.437961      5.642027
  C      -8.402944      7.033512      4.345007
  C      -9.534634      6.614214      3.604094
  C      -9.391129      6.210427      2.293324
  C      -8.118467      6.208542      1.676255
  C      -6.998181      6.602750      2.379018
  C      -7.112692      7.020691      3.728269
  C      -5.856937      3.089253      6.595527
  C      -6.728575      4.351936      6.593859
  C      -8.221299      4.050607      6.500628
  C      -8.694520      3.590909      5.142729
  N      -7.802763      3.444822      4.170571
  C      -8.257882      3.042601      2.950458
  N      -9.498588      2.769602      2.606465
  C     -10.441443      2.921138      3.586865
  C     -11.800365      2.666354      3.282274
  C     -12.767933      2.825924      4.253231
  C     -12.416682      3.241553      5.558848
  C     -11.098301      3.493563      5.882386
  C     -10.083459      3.338781      4.906015
  H      -3.495166      0.672643      3.145440
  H      -4.584615      1.870493      3.868923
  H      -5.352646      0.093735      5.542784
  H      -4.532593     -1.096987      4.516734
  H      -6.889153     -0.936805      3.797793
  H      -6.799599      0.835235      3.736246
  H      -5.278443      2.079995     -0.254790
  H      -4.245434     -2.171137     -1.662446
  H      -4.355258     -4.436867     -0.612437
  H      -5.169879     -4.695983      1.724782
  H      -5.875935     -2.725357      3.032975
  H      -4.334896      5.894678      6.235314
  H      -2.741785      6.447202      6.793006
  H      -2.560205      7.796964      4.613883
  H      -3.777197      8.336326      5.785365
  H      -4.503276      8.237127      3.284212
  H      -4.439854      6.488741      3.433739
  H      -7.595244      8.166397      7.303525
  H     -10.506574      6.624470      4.099058
  H     -10.262580      5.880466      1.726219
  H      -8.026523      5.884813      0.638536
  H      -6.021940      6.597842      1.893288
  H      -6.027418      2.511573      7.523498
  H      -6.185964      2.459297      5.753638
  H      -6.529422      4.947124      7.498020
  H      -6.435860      4.962695      5.728792
  H      -8.514895      3.295341      7.251234
  H      -8.792492      4.957035      6.761119
  H      -7.487691      2.915537      2.183899
  H     -12.048830      2.348843      2.268644
  H     -13.815211      2.632251      4.015484
  H     -13.195700      3.365293      6.312447
  H     -10.838652      3.819426      6.889858
  N      -2.578663      3.233277      3.110418
  N      -2.342305      3.151808      1.844422
  H      -2.311989      2.244594      1.372405
  H      -2.407069      3.985254      1.255311
99
Coordinates from ORCA-job orca E -6258.898537128777
  N      -3.004275      1.270891      5.118613
  Mo     -3.334929      3.292685      4.788282
  N      -4.438734      3.362508      6.436407
  C      -3.616949      3.492529      7.643536
  C      -2.299199      2.732217      7.461605
  N      -1.629744      3.071316      6.143711
  C      -0.764545      1.942743      5.676645
  C      -1.619877      0.905888      4.915912
  C      -0.850880      4.361100      6.240041
  C      -1.276943      5.249157      5.077466
  N      -2.737406      5.189532      5.068558
  H      -1.344328      0.925725      3.841438
  H      -1.422086     -0.113994      5.289620
  H      -0.006763      2.367497      5.007627
  H      -0.248045      1.513832      6.549128
  H      -0.904499      6.276670      5.220434
  H      -0.878138      4.864075      4.126197
  H      -1.123091      4.842870      7.189149
  H       0.226833      4.142737      6.268895
  H      -4.132979      3.055865      8.516143
  H      -3.431313      4.554732      7.889592
  H      -2.508888      1.658470      7.432502
  H      -1.589343      2.942432      8.277619
  C      -3.957283      0.926576      4.119232
  C      -5.017808     -0.105712      4.515395
  C      -6.230880     -0.086892      3.562783
  C      -5.822361     -0.103249      2.114078
  N      -5.748298      1.077200      1.503305
  C      -5.303913      1.090534      0.217835
  N      -4.911061      0.064909     -0.509529
  C      -4.988591     -1.161943      0.090867
  C      -4.593075     -2.311503     -0.635013
  C      -4.662578     -3.557005     -0.046086
  C      -5.127953     -3.703237      1.282497
  C      -5.519780     -2.600004      2.012718
  C      -5.458772     -1.306015      1.436122
  C      -3.347642      6.234349      5.891089
  C      -3.521400      7.530377      5.080293
  C      -4.604871      7.409434      4.012950
  C      -6.016264      7.421306      4.550838
  N      -6.204432      7.825016      5.800983
  C      -7.475850      7.812729      6.282824
  N      -8.569366      7.423614      5.659401
  C      -8.407418      7.017496      4.362358
  C      -9.540819      6.591871      3.627509
  C      -9.401841      6.186709      2.316708
  C      -8.132059      6.189579      1.693462
  C      -7.010190      6.589406      2.390311
  C      -7.120043      7.008889      3.739588
  C      -5.855991      3.093099      6.596642
  C      -6.726263      4.356573      6.593490
  C      -8.218740      4.056458      6.496242
  C      -8.688850      3.600049      5.136162
  N      -7.795093      3.456515      4.165383
  C      -8.247979      3.058317      2.943037
  N      -9.487939      2.786411      2.595768
  C     -10.432686      2.935122      3.574771
  C     -11.791057      2.681637      3.266486
  C     -12.760642      2.838896      4.235794
  C     -12.411990      3.250707      5.543345
  C     -11.094203      3.501185      5.870454
  C     -10.077342      3.348786      4.895884
  H      -3.495920      0.674334      3.145301
  H      -4.585630      1.872422      3.868935
  H      -5.354450      0.096292      5.541910
  H      -4.534037     -1.094921      4.516687
  H      -6.890352     -0.934092      3.796396
  H      -6.799359      0.837844      3.732961
  H      -5.268005      2.077110     -0.256204
  H      -4.243613     -2.177627     -1.659495
  H      -4.361084     -4.442158     -0.608405
  H      -5.180379     -4.697851      1.727473
  H      -5.883286     -2.724383      3.033311
  H      -4.332269      5.896563      6.236219
  H      -2.738739      6.452822      6.788955
  H      -2.565565      7.797475      4.604387
  H      -3.778564      8.338568      5.779204
  H      -4.515575      8.231828      3.281772
  H      -4.447000      6.483829      3.434869
  H      -7.590652      8.158069      7.315373
  H     -10.510436      6.598698      4.127149
  H     -10.274626      5.852405      1.754193
  H      -8.043608      5.864794      0.655778
  H      -6.036307      6.587754      1.899982
  H      -6.026727      2.516797      7.525407
  H      -6.185709      2.462417      5.755493
  H      -6.529096      4.950898      7.498760
  H      -6.430841      4.967833      5.729727
  H      -8.514777      3.299556      7.244312
  H      -8.790079      4.962607      6.757351
  H      -7.476260      2.933114      2.177855
  H     -12.037534      2.367086      2.251411
  H     -13.807513      2.646451      3.995177
  H     -13.192601      3.372609      6.295596
  H     -10.836481      3.824135      6.879392
  N      -2.577858      3.234175      3.110181
  N      -2.337681      3.148071      1.845187
  H      -2.311003      2.239477      1.375476
  H      -2.399400      3.980039      1.253842
99
Coordinates from ORCA-job orca E -6258.898563716681
  N      -3.006754      1.271423      5.118240
  Mo     -3.335763      3.293867      4.788081
  N      -4.439480      3.363210      6.436413
  C      -3.617887      3.492456      7.643739
  C      -2.300833      2.731075      7.461852
  N      -1.631159      3.070576      6.144081
  C      -0.766441      1.941637      5.676735
  C      -1.622459      0.905269      4.916235
  C      -0.851381      4.359795      6.241370
  C      -1.276659      5.248959      5.079223
  N      -2.737187      5.190191      5.069649
  H      -1.346407      0.924643      3.841877
  H      -1.425742     -0.114716      5.290229
  H      -0.008745      2.366331      5.007543
  H      -0.249836      1.512577      6.549112
  H      -0.903820      6.276197      5.223128
  H      -0.877702      4.864221      4.127887
  H      -1.123419      4.841209      7.190720
  H       0.226155      4.140453      6.270277
  H      -4.134674      3.056528      8.516222
  H      -3.431231      4.554501      7.889579
  H      -2.511340      1.657523      7.432035
  H      -1.590705      2.940313      8.277841
  C      -3.959163      0.927793      4.118173
  C      -5.021480     -0.103206      4.513124
  C      -6.232903     -0.082741      3.558357
  C      -5.821099     -0.100889      2.110555
  N      -5.741578      1.079083      1.499626
  C      -5.292637      1.090762      0.215778
  N      -4.899783      0.063814     -0.509740
  C      -4.983403     -1.162654      0.090497
  C      -4.588855     -2.313611     -0.633685
  C      -4.665185     -3.558847     -0.045102
  C      -5.136493     -3.703297      1.281454
  C      -5.526987     -2.598601      2.010300
  C      -5.459154     -1.304907      1.433970
  C      -3.347407      6.235277      5.891814
  C      -3.517307      7.532046      5.081437
  C      -4.599053      7.414115      4.011956
  C      -6.011328      7.430171      4.547190
  N      -6.200489      7.834537      5.796971
  C      -7.472913      7.827792      6.275973
  N      -8.566868      7.443902      5.650044
  C      -8.403843      7.037718      4.353202
  C      -9.537639      6.618617      3.615432
  C      -9.397721      6.213522      2.304691
  C      -8.126445      6.209723      1.684572
  C      -7.004169      6.603370      2.384287
  C      -7.115054      7.022976      3.733424
  C      -5.856262      3.091218      6.596908
  C      -6.729387      4.352722      6.594359
  C      -8.221192      4.048198      6.499940
  C      -8.692388      3.589241      5.141035
  N      -7.799785      3.446412      4.169118
  C      -8.253529      3.045656      2.948020
  N      -9.493372      2.770152      2.603004
  C     -10.437025      2.917608      3.583216
  C     -11.795255      2.660288      3.277498
  C     -12.763565      2.815911      4.248307
  C     -12.413888      3.229891      5.554922
  C     -11.096242      3.484441      5.879495
  C     -10.080609      3.333948      4.903285
  H      -3.497584      0.674933      3.144558
  H      -4.586781      1.874232      3.868092
  H      -5.359488      0.099258      5.539139
  H      -4.539047     -1.093111      4.515079
  H      -6.894581     -0.928388      3.791246
  H      -6.799695      0.843351      3.726866
  H      -5.252237      2.077153     -0.258313
  H      -4.234790     -2.181069     -1.656713
  H      -4.364663     -4.445141     -0.606180
  H      -5.194484     -4.697766      1.725966
  H      -5.894903     -2.721455      3.029433
  H      -4.333178      5.898838      6.235038
  H      -2.739695      6.452150      6.790909
  H      -2.559994      7.797497      4.607538
  H      -3.774189      8.340579      5.780101
  H      -4.505965      8.236746      3.281529
  H      -4.442482      6.488437      3.433749
  H      -7.588275      8.173523      7.308324
  H     -10.508393      6.630372      4.112703
  H     -10.270966      5.884182      1.740021
  H      -8.037177      5.884915      0.646943
  H      -6.028999      6.596463      1.896406
  H      -6.025392      2.514271      7.525484
  H      -6.185357      2.460133      5.755891
  H      -6.532180      4.948598      7.498401
  H      -6.436842      4.963438      5.729287
  H      -8.513472      3.290519      7.248814
  H      -8.795078      4.952485      6.761757
  H      -7.482566      2.921305      2.182005
  H     -12.042646      2.344121      2.263175
  H     -13.810283      2.620382      4.009631
  H     -13.193530      3.350386      6.308408
  H     -10.837575      3.809089      6.887622
  N      -2.577338      3.234682      3.110666
  N      -2.333360      3.145740      1.846606
  H      -2.312307      2.236586      1.377865
  H      -2.392047      3.976878      1.253492
99
Coordinates from ORCA-job orca E -6258.898560316667
  N      -3.004172      1.269288      5.119750
  Mo     -3.335453      3.291429      4.790172
  N      -4.439331      3.360317      6.438273
  C      -3.617584      3.489729      7.645461
  C      -2.299863      2.729433      7.463225
  N      -1.630287      3.069632      6.145676
  C      -0.764643      1.941622      5.677962
  C      -1.619593      0.905116      4.916408
  C      -0.851932      4.359594      6.243312
  C      -1.278013      5.248398      5.081313
  N      -2.738478      5.188215      5.071448
  H      -1.344202      0.926215      3.841913
  H      -1.421249     -0.115042      5.289097
  H      -0.006839      2.367119      5.009433
  H      -0.248246      1.512199      6.550262
  H      -0.906065      6.275984      5.225179
  H      -0.878584      4.864122      4.129959
  H      -1.124776      4.840476      7.192706
  H       0.225868      4.141576      6.272407
  H      -4.133752      3.052719      8.517805
  H      -3.431925      4.551830      7.891924
  H      -2.509625      1.655745      7.433225
  H      -1.590049      2.938961      8.279435
  C      -3.957330      0.925370      4.120466
  C      -5.017689     -0.107035      4.516957
  C      -6.232634     -0.087612      3.566519
  C      -5.826862     -0.100263      2.116923
  N      -5.758980      1.081348      1.507643
  C      -5.317548      1.098440      0.221174
  N      -4.922026      0.075503     -0.508539
  C      -4.993754     -1.152620      0.090052
  C      -4.595511     -2.299532     -0.638530
  C      -4.659367     -3.546287     -0.051514
  C      -5.121629     -3.696398      1.277732
  C      -5.515919     -2.595757      2.010637
  C      -5.460643     -1.300594      1.436094
  C      -3.349755      6.232391      5.893931
  C      -3.518652      7.530423      5.085393
  C      -4.596056      7.413428      4.011550
  C      -6.010572      7.423641      4.540970
  N      -6.205886      7.820397      5.792199
  C      -7.480282      7.807102      6.265998
  N      -8.570624      7.424082      5.633305
  C      -8.401188      7.025650      4.334857
  C      -9.530862      6.608086      3.589865
  C      -9.384325      6.210588      2.277529
  C      -8.110419      6.213176      1.662901
  C      -6.992074      6.605592      2.369606
  C      -7.109781      7.017453      3.720526
  C      -5.856446      3.089856      6.598820
  C      -6.728079      4.352463      6.596735
  C      -8.220654      4.050536      6.504484
  C      -8.694462      3.590214      5.146967
  N      -7.803261      3.443957      4.174309
  C      -8.259073      3.040995      2.954657
  N      -9.499895      2.767594      2.611515
  C     -10.442188      2.919259      3.592452
  C     -11.801244      2.664182      3.288644
  C     -12.768312      2.823994      4.260061
  C     -12.416400      3.239999      5.565378
  C     -11.097875      3.492290      5.888116
  C     -10.083509      3.337477      4.911244
  H      -3.496279      0.673388      3.146370
  H      -4.585637      1.871509      3.870552
  H      -5.352750      0.093845      5.544248
  H      -4.533976     -1.096298      4.516516
  H      -6.890437     -0.936194      3.799728
  H      -6.802148      0.835906      3.739791
  H      -5.287208      2.085863     -0.251591
  H      -4.248633     -2.162728     -1.663567
  H      -4.355851     -4.429466     -0.615916
  H      -5.169629     -4.691975      1.721077
  H      -5.876911     -2.723079      3.031794
  H      -4.335921      5.895305      6.235341
  H      -2.743401      6.448168      6.794160
  H      -2.560021      7.798063      4.615376
  H      -3.778946      8.337112      5.784873
  H      -4.502429      8.238915      3.284405
  H      -4.434829      6.490296      3.430528
  H      -7.600820      8.146118      7.299999
  H     -10.503727      6.614724      4.083078
  H     -10.254272      5.882222      1.707217
  H      -8.015986      5.894229      0.623926
  H      -6.014876      6.604039      1.885778
  H      -6.026199      2.512953      7.527366
  H      -6.186126      2.459352      5.757625
  H      -6.528790      4.948243      7.500476
  H      -6.435827      4.962761      5.731196
  H      -8.513458      3.294878      7.255081
  H      -8.792370      4.956462      6.765439
  H      -7.489359      2.915016      2.187485
  H     -12.050267      2.346361      2.275258
  H     -13.815700      2.630282      4.022879
  H     -13.195060      3.363822      6.319337
  H     -10.837642      3.818457      6.895329
  N      -2.578554      3.233570      3.112077
  N      -2.338348      3.148568      1.847019
  H      -2.304960      2.240010      1.377594
  H      -2.404556      3.979948      1.255204
99
Coordinates from ORCA-job orca E -6258.898564992956
  N      -3.005028      1.269098      5.119372
  Mo     -3.335374      3.291313      4.788665
  N      -4.439398      3.360935      6.436633
  C      -3.617906      3.490856      7.643923
  C      -2.300325      2.730211      7.462320
  N      -1.630564      3.069447      6.144621
  C      -0.765308      1.940893      5.677601
  C      -1.620574      0.904091      4.916824
  C      -0.851611      4.359094      6.241539
  C      -1.277189      5.247405      5.078998
  N      -2.737649      5.187908      5.069228
  H      -1.344827      0.924009      3.842397
  H      -1.422840     -0.115813      5.290520
  H      -0.007496      2.365744      5.008669
  H      -0.248893      1.511961      6.550131
  H      -0.904745      6.274890      5.222296
  H      -0.877963      4.862405      4.127848
  H      -1.124198      4.840657      7.190663
  H       0.226096      4.140593      6.270751
  H      -4.134305      3.054489      8.516434
  H      -3.432059      4.553070      7.889758
  H      -2.510286      1.656544      7.432939
  H      -1.590554      2.940076      8.278485
  C      -3.957799      0.925003      4.119793
  C      -5.018774     -0.106810      4.516103
  C      -6.232621     -0.087494      3.564365
  C      -5.825042     -0.101978      2.115313
  N      -5.754432      1.079020      1.505151
  C      -5.310711      1.094381      0.219468
  N      -4.915164      0.070286     -0.508603
  C      -4.989596     -1.157202      0.090918
  C      -4.591454     -2.305282     -0.635899
  C      -4.658034     -3.551433     -0.047943
  C      -5.123000     -3.699784      1.280540
  C      -5.517200     -2.597987      2.011732
  C      -5.459170     -1.303403      1.436188
  C      -3.348153      6.233102      5.891156
  C      -3.517722      7.530046      5.080941
  C      -4.598953      7.412793      4.010994
  C      -6.011582      7.429522      4.545339
  N      -6.201379      7.834672      5.794748
  C      -7.474185      7.828442      6.272960
  N      -8.567849      7.444725      5.646463
  C      -8.404096      7.037409      4.350041
  C      -9.537555      6.618020      3.611797
  C      -9.396718      6.211296      2.301672
  C      -8.124980      6.206371      1.682537
  C      -7.003089      6.600497      2.382652
  C      -7.114885      7.021583      3.731235
  C      -5.856375      3.089581      6.596851
  C      -6.728788      4.351581      6.594189
  C      -8.221034      4.048715      6.499783
  C      -8.692729      3.589946      5.140978
  N      -7.800189      3.446279      4.169139
  C      -8.254198      3.045513      2.948048
  N      -9.494372      2.771826      2.602805
  C     -10.437953      2.920706      3.582911
  C     -11.796425      2.665109      3.276896
  C     -12.764827      2.822202      4.247424
  C     -12.414878      3.235942      5.554003
  C     -11.096966      3.488687      5.878894
  C     -10.081259      3.336560      4.902999
  H      -3.496333      0.672325      3.146063
  H      -4.585702      1.871210      3.869263
  H      -5.354784      0.094929      5.542909
  H      -4.535413     -1.096243      4.516794
  H      -6.891309     -0.935359      3.797711
  H      -6.801617      0.836654      3.736027
  H      -5.278183      2.081349     -0.254086
  H      -4.242439     -2.169844     -1.660369
  H      -4.354603     -4.435498     -0.611002
  H      -5.173160     -4.694914      1.724626
  H      -5.880300     -2.723924      3.032291
  H      -4.333957      5.896664      6.234223
  H      -2.740582      6.449972      6.790312
  H      -2.560204      7.795237      4.607288
  H      -3.774457      8.338444      5.779790
  H      -4.505235      8.235491      3.280703
  H      -4.442624      6.487151      3.432609
  H      -7.590133      8.174362      7.305208
  H     -10.508643      6.630517      4.108398
  H     -10.269561      5.881454      1.736646
  H      -8.035073      5.880257      0.645380
  H      -6.027619      6.592992      1.895419
  H      -6.026159      2.512726      7.525414
  H      -6.185331      2.458699      5.755647
  H      -6.530994      4.947093      7.498434
  H      -6.435806      4.962412      5.729303
  H      -8.514301      3.291904      7.249059
  H      -8.793677      4.953950      6.761117
  H      -7.483400      2.921223      2.181675
  H     -12.043940      2.349099      2.262567
  H     -13.811762      2.628103      4.008537
  H     -13.194572      3.357647      6.307233
  H     -10.838243      3.813091      6.887081
  N      -2.577292      3.232004      3.111092
  N      -2.334898      3.144517      1.846608
  H      -2.305399      2.235333      1.378237
  H      -2.397632      3.975364      1.253620
99
Coordinates from ORCA-job orca E -6258.898562614521
  N      -3.008280      1.271508      5.117842
  Mo     -3.335892      3.294287      4.786515
  N      -4.440181      3.364369      6.434540
  C      -3.619112      3.494090      7.642185
  C      -2.302455      2.731886      7.461370
  N      -1.632214      3.070435      6.143670
  C      -0.767852      1.941018      5.677110
  C      -1.624071      0.904225      4.917444
  C      -0.851778      4.359234      6.240817
  C      -1.276069      5.248297      5.078285
  N      -2.736527      5.190126      5.068162
  H      -1.347114      0.921835      3.843274
  H      -1.428349     -0.115398      5.292987
  H      -0.010187      2.365032      5.007422
  H      -0.251123      1.512557      6.549734
  H      -0.902807      6.275381      5.222159
  H      -0.876871      4.863254      4.127153
  H      -1.123909      4.841049      7.189933
  H       0.225653      4.139382      6.270117
  H      -4.136469      3.059166      8.514841
  H      -3.431951      4.556264      7.887148
  H      -2.513460      1.658419      7.432078
  H      -1.592524      2.941218      8.277513
  C      -3.959593      0.928114      4.116646
  C      -5.022996     -0.102268      4.510284
  C      -6.232691     -0.081568      3.553343
  C      -5.817904     -0.100792      2.106399
  N      -5.735737      1.078794      1.495093
  C      -5.283602      1.089368      0.212353
  N      -4.889630      0.061713     -0.511575
  C      -4.975862     -1.164350      0.089111
  C      -4.580299     -2.316052     -0.633371
  C      -4.659202     -3.560896     -0.044291
  C      -5.134192     -3.704280      1.281114
  C      -5.525804     -2.598879      2.008219
  C      -5.455317     -1.305533      1.431361
  C      -3.346650      6.235248      5.890482
  C      -3.517798      7.531878      5.080116
  C      -4.600841      7.413757      4.012028
  C      -6.012406      7.427925      4.549243
  N      -6.200082      7.829713      5.800077
  C      -7.471859      7.820853      6.281003
  N      -8.566421      7.437577      5.655794
  C      -8.404974      7.034161      4.357879
  C      -9.539586      6.615873      3.620772
  C      -9.401208      6.213553      2.309040
  C      -8.130756      6.211806      1.687145
  C      -7.007745      6.604638      2.386123
  C      -7.117039      7.021430      3.736278
  C      -5.857182      3.093113      6.594808
  C      -6.729269      4.355288      6.590826
  C      -8.221491      4.052271      6.497849
  C      -8.694378      3.591085      5.140312
  N      -7.802747      3.444384      4.168026
  C      -8.258175      3.041191      2.948250
  N      -9.498678      2.766220      2.605141
  C     -10.441255      2.917771      3.585812
  C     -11.800112      2.661537      3.281920
  C     -12.767451      2.821264      4.253102
  C     -12.416093      3.238256      5.558293
  C     -11.097802      3.491720      5.881082
  C     -10.083163      3.337172      4.904418
  H      -3.496781      0.674698      3.143733
  H      -4.586482      1.874858      3.865754
  H      -5.362525      0.100660      5.535711
  H      -4.541062     -1.092420      4.513228
  H      -6.895164     -0.926820      3.785498
  H      -6.799402      0.844886      3.720252
  H      -5.241175      2.075457     -0.262161
  H      -4.223393     -2.184427     -1.655536
  H      -4.357863     -4.447723     -0.604091
  H      -5.194178     -4.698484      1.725997
  H      -5.896682     -2.720798      3.026410
  H      -4.331993      5.898400      6.234575
  H      -2.738327      6.452416      6.789091
  H      -2.561183      7.797417      4.604868
  H      -3.773880      8.340433      5.779012
  H      -4.509549      8.237109      3.282169
  H      -4.444193      6.488730      3.432806
  H      -7.586039      8.164094      7.314307
  H     -10.509659      6.625922      4.119461
  H     -10.275033      5.884836      1.744873
  H      -8.042723      5.889112      0.648765
  H      -6.033286      6.599335      1.896887
  H      -6.026914      2.517354      7.523996
  H      -6.186443      2.461350      5.754355
  H      -6.531049      4.952143      7.494027
  H      -6.436546      4.964678      5.724893
  H      -8.514230      3.296467      7.248389
  H      -8.794132      4.957725      6.758314
  H      -7.487950      2.912464      2.182253
  H     -12.048789      2.342896      2.268678
  H     -13.814655      2.626651      4.015818
  H     -13.194975      3.361870      6.312109
  H     -10.837841      3.818633      6.888157
  N      -2.574694      3.233511      3.110498
  N      -2.325815      3.140475      1.847678
  H      -2.305831      2.229990      1.381301
  H      -2.380495      3.970115      1.252139
99
Coordinates from ORCA-job orca E -6258.898567026758
  N      -3.006548      1.269913      5.119157
  Mo     -3.336173      3.292462      4.788824
  N      -4.439833      3.361532      6.437302
  C      -3.618203      3.490727      7.644607
  C      -2.301033      2.729653      7.462537
  N      -1.631500      3.069511      6.144873
  C      -0.766473      1.941059      5.677310
  C      -1.622172      0.904284      4.916969
  C      -0.852240      4.358944      6.242526
  C      -1.277401      5.247857      5.080274
  N      -2.737848      5.188694      5.070108
  H      -1.346244      0.923534      3.842579
  H      -1.425003     -0.115565      5.291110
  H      -0.009105      2.365983      5.007905
  H      -0.249427      1.512170      6.549500
  H      -0.904787      6.275199      5.224076
  H      -0.877993      4.863131      4.129105
  H      -1.124881      4.840164      7.191793
  H       0.225392      4.140126      6.271703
  H      -4.134743      3.054402      8.517049
  H      -3.431836      4.552798      7.890632
  H      -2.511322      1.656062      7.432591
  H      -1.590930      2.938895      8.278563
  C      -3.958877      0.926298      4.118990
  C      -5.020580     -0.105212      4.514161
  C      -6.233212     -0.085083      3.560909
  C      -5.823318     -0.099687      2.112537
  N      -5.749199      1.081469      1.503130
  C      -5.302411      1.096606      0.218525
  N      -4.906821      0.072163     -0.509031
  C      -4.984889     -1.155467      0.089693
  C      -4.587012     -2.303922     -0.636656
  C      -4.657443     -3.550226     -0.049514
  C      -5.126076     -3.698365      1.277666
  C      -5.519943     -2.596207      2.008449
  C      -5.458030     -1.301448      1.433702
  C      -3.348827      6.234055      5.891461
  C      -3.517914      7.530708      5.080736
  C      -4.597969      7.412752      4.009564
  C      -6.011197      7.427141      4.542348
  N      -6.202950      7.830242      5.792135
  C      -7.476277      7.821673      6.268904
  N      -8.568725      7.437628      5.640523
  C      -8.402989      7.032410      4.343713
  C      -9.535057      6.612675      3.603520
  C      -9.392225      6.208224      2.292916
  C      -8.119750      6.205872      1.675217
  C      -6.999181      6.600218      2.377245
  C      -7.113053      7.019081      3.726389
  C      -5.856730      3.089972      6.598064
  C      -6.729082      4.351987      6.596134
  C      -8.221334      4.048977      6.503491
  C      -8.694775      3.590347      5.145248
  N      -7.803535      3.446218      4.172293
  C      -8.259305      3.045493      2.951825
  N      -9.499933      2.771738      2.608354
  C     -10.442187      2.920932      3.589687
  C     -11.801115      2.665557      3.285478
  C     -12.768202      2.823056      4.257238
  C     -12.416440      3.236927      5.563297
  C     -11.098047      3.489444      5.886409
  C     -10.083663      3.337026      4.909203
  H      -3.497029      0.673684      3.145419
  H      -4.586512      1.872762      3.868771
  H      -5.357480      0.096398      5.540693
  H      -4.537696     -1.094890      4.514951
  H      -6.892750     -0.932575      3.793242
  H      -6.801815      0.839432      3.731817
  H      -5.266785      2.083761     -0.254373
  H      -4.235136     -2.168699     -1.660135
  H      -4.354253     -4.434548     -0.612263
  H      -5.179329     -4.693656      1.721005
  H      -5.885911     -2.721818      3.027991
  H      -4.334818      5.897565      6.233966
  H      -2.741868      6.451097      6.791000
  H      -2.560041      7.796010      4.607874
  H      -3.775556      8.339369      5.778950
  H      -4.504489      8.236084      3.279970
  H      -4.439627      6.487692      3.430796
  H      -7.593887      8.165913      7.301506
  H     -10.506726      6.623227      4.099044
  H     -10.264035      5.878318      1.726343
  H      -8.028223      5.881511      0.637653
  H      -6.023133      6.594583      1.891159
  H      -6.025908      2.513112      7.526708
  H      -6.186215      2.459158      5.756998
  H      -6.530466      4.947556      7.500164
  H      -6.436979      4.962777      5.730933
  H      -8.513567      3.291770      7.252827
  H      -8.793888      4.953946      6.765894
  H      -7.489422      2.920193      2.184777
  H     -12.050056      2.349405      2.271537
  H     -13.815495      2.629171      4.019737
  H     -13.195127      3.358902      6.317526
  H     -10.837867      3.813970      6.894188
  N      -2.576791      3.232870      3.111883
  N      -2.330844      3.142514      1.848313
  H      -2.304918      2.232625      1.381103
  H      -2.389250      3.972709      1.254012
99
Coordinates from ORCA-job orca E -6258.898564683548
  N      -3.006025      1.269071      5.119832
  Mo     -3.335160      3.291577      4.787460
  N      -4.439408      3.362403      6.435267
  C      -3.618236      3.492899      7.642710
  C      -2.300994      2.731486      7.461990
  N      -1.630908      3.069575      6.144164
  C      -0.766039      1.940458      5.677916
  C      -1.621674      0.903082      4.918371
  C      -0.851337      4.358894      6.240400
  C      -1.276297      5.246849      5.077346
  N      -2.736739      5.187817      5.067374
  H      -1.345412      0.921261      3.844032
  H      -1.424643     -0.116417      5.293584
  H      -0.008450      2.364630      5.008274
  H      -0.249321      1.512261      6.550654
  H      -0.903508      6.274254      5.220314
  H      -0.877039      4.861366      4.126389
  H      -1.123786      4.841099      7.189242
  H       0.226278      4.139911      6.269869
  H      -4.135051      3.057618      8.515522
  H      -3.431865      4.555251      7.887552
  H      -2.511451      1.657901      7.433317
  H      -1.591296      2.941552      8.278167
  C      -3.958216      0.924951      4.119724
  C      -5.020017     -0.106149      4.515753
  C      -6.233359     -0.086624      3.563287
  C      -5.824859     -0.101493      2.114476
  N      -5.754057      1.079308      1.503983
  C      -5.309516      1.094361      0.218571
  N      -4.913180      0.070122     -0.508894
  C      -4.987913     -1.157199      0.090938
  C      -4.589106     -2.305453     -0.635271
  C      -4.656030     -3.551457     -0.047029
  C      -5.122022     -3.699518      1.281161
  C      -5.516925     -2.597550      2.011726
  C      -5.458498     -1.303102      1.435897
  C      -3.346888      6.233119      5.889501
  C      -3.517901      7.529847      5.079267
  C      -4.600834      7.412366      4.011160
  C      -6.012523      7.428308      4.548048
  N      -6.200032      7.832047      5.798245
  C      -7.471999      7.825237      6.278793
  N      -8.566866      7.442527      5.653776
  C      -8.405505      7.036950      4.356502
  C      -9.540461      6.619254      3.619577
  C      -9.402055      6.214357      2.308638
  C      -8.131372      6.209581      1.687356
  C      -7.008066      6.602167      2.386101
  C      -7.117363      7.021461      3.735429
  C      -5.856473      3.091300      6.595265
  C      -6.728511      4.353547      6.591023
  C      -8.220893      4.051224      6.496665
  C      -8.692182      3.589771      5.138673
  N      -7.799062      3.442822      4.167834
  C      -8.252538      3.039140      2.947492
  N      -9.492725      2.765523      2.602138
  C     -10.436864      2.917810      3.581233
  C     -11.795335      2.662458      3.275002
  C     -12.764288      2.822801      4.244496
  C     -12.414902      3.239651      5.550227
  C     -11.097013      3.492255      5.875312
  C     -10.080755      3.336881      4.900446
  H      -3.496153      0.671422      3.146489
  H      -4.585457      1.871390      3.868303
  H      -5.356519      0.096106      5.542311
  H      -4.537138     -1.095822      4.517067
  H      -6.892371     -0.934292      3.796455
  H      -6.802275      0.837686      3.734463
  H      -5.276867      2.081188     -0.255266
  H      -4.239361     -2.170283     -1.659538
  H      -4.352096     -4.435656     -0.609628
  H      -5.172430     -4.694543      1.725472
  H      -5.880872     -2.723241      3.032036
  H      -4.332203      5.896369      6.233701
  H      -2.738456      6.450378      6.787976
  H      -2.561162      7.795068      4.604044
  H      -3.773617      8.338286      5.778410
  H      -4.508757      8.235408      3.281025
  H      -4.445183      6.487062      3.432100
  H      -7.586030      8.169821      7.311698
  H     -10.510704      6.631536      4.117852
  H     -10.276024      5.885732      1.744635
  H      -8.043421      5.884867      0.649600
  H      -6.033459      6.594959      1.897171
  H      -6.026784      2.515325      7.524266
  H      -6.185218      2.459750      5.754496
  H      -6.530603      4.950078      7.494551
  H      -6.435115      4.963219      5.725461
  H      -8.514848      3.296165      7.247391
  H      -8.793175      4.957290      6.755863
  H      -7.481375      2.912402      2.181899
  H     -12.042401      2.343965      2.261342
  H     -13.811206      2.628856      4.005443
  H     -13.195023      3.363877      6.302646
  H     -10.838748      3.819043      6.882841
  N      -2.575072      3.230205      3.110929
  N      -2.328583      3.138571      1.847547
  H      -2.297885      2.227811      1.382204
  H      -2.390409      3.967310      1.251495
99
Coordinates from ORCA-job orca E -6258.898567903637
  N      -3.006834      1.269444      5.119599
  Mo     -3.335889      3.292108      4.788107
  N      -4.439920      3.362011      6.436281
  C      -3.618621      3.491757      7.643739
  C      -2.301521      2.730363      7.462429
  N      -1.631632      3.069360      6.144745
  C      -0.766743      1.940562      5.677856
  C      -1.622479      0.903424      4.918063
  C      -0.852104      4.358650      6.241886
  C      -1.276843      5.247141      5.079171
  N      -2.737279      5.188195      5.068799
  H      -1.346208      0.921806      3.843739
  H      -1.425588     -0.116191      5.293008
  H      -0.009341      2.365053      5.008208
  H      -0.249743      1.512097      6.550290
  H      -0.904058      6.274472      5.222621
  H      -0.877349      4.861996      4.128193
  H      -1.124798      4.840362      7.190894
  H       0.225491      4.139644      6.271374
  H      -4.135416      3.056024      8.516329
  H      -3.432139      4.553954      7.889158
  H      -2.512007      1.656798      7.433053
  H      -1.591620      2.939906      8.278559
  C      -3.958833      0.925740      4.119157
  C      -5.020864     -0.105428      4.514331
  C      -6.233408     -0.085387      3.560928
  C      -5.823391     -0.099806      2.112576
  N      -5.750146      1.081351      1.503062
  C      -5.303439      1.096727      0.218418
  N      -4.907122      0.072515     -0.509078
  C      -4.984311     -1.155130      0.089757
  C      -4.585622     -2.303358     -0.636528
  C      -4.655080     -3.549669     -0.049267
  C      -5.123544     -3.698070      1.277975
  C      -5.518270     -2.596139      2.008647
  C      -5.457315     -1.301373      1.433797
  C      -3.348017      6.233722      5.890185
  C      -3.517738      7.530243      5.079378
  C      -4.598930      7.412368      4.009426
  C      -6.011552      7.427330      4.543835
  N      -6.201647      7.830852      5.793732
  C      -7.474444      7.822955      6.272005
  N      -8.567824      7.439335      5.644985
  C      -8.403797      7.033757      4.348059
  C      -9.536988      6.614643      3.609214
  C      -9.395862      6.209750      2.298565
  C      -8.124075      6.206353      1.679472
  C      -7.002453      6.600187      2.380141
  C      -7.114564      7.019502      3.729273
  C      -5.856887      3.090557      6.596709
  C      -6.729081      4.352683      6.593857
  C      -8.221455      4.050082      6.501158
  C      -8.694755      3.590219      5.143291
  N      -7.803282      3.444666      4.170750
  C      -8.258841      3.042689      2.950595
  N      -9.499506      2.769089      2.607070
  C     -10.441985      2.919863      3.587970
  C     -11.800928      2.664707      3.283660
  C     -12.768260      2.823718      4.254959
  C     -12.416713      3.238938      5.560640
  C     -11.098311      3.491271      5.883850
  C     -10.083688      3.337304      4.907109
  H      -3.496604      0.672621      3.145889
  H      -4.586065      1.872305      3.868215
  H      -5.357904      0.096494      5.540761
  H      -4.538128     -1.095176      4.515474
  H      -6.892784     -0.933032      3.793173
  H      -6.802252      0.838984      3.731861
  H      -5.268654      2.083857     -0.254602
  H      -4.233923     -2.167954     -1.660060
  H      -4.351251     -4.433820     -0.611960
  H      -5.175991     -4.693358      1.721435
  H      -5.884140     -2.721980      3.028217
  H      -4.333772      5.897189      6.233337
  H      -2.740550      6.450995      6.789318
  H      -2.560295      7.795262      4.605476
  H      -3.774484      8.339026      5.777765
  H      -4.506056      8.235567      3.279589
  H      -4.441588      6.487197      3.430576
  H      -7.590667      8.167404      7.304698
  H     -10.508097      6.625932      4.105824
  H     -10.268497      5.880205      1.733044
  H      -8.033932      5.881624      0.641905
  H      -6.026972      6.593874      1.892944
  H      -6.026510      2.514122      7.525541
  H      -6.186066      2.459411      5.755792
  H      -6.530412      4.948748      7.497549
  H      -6.436706      4.962909      5.728347
  H      -8.514141      3.293845      7.251261
  H      -8.793686      4.955575      6.762450
  H      -7.488818      2.916325      2.183832
  H     -12.049680      2.347484      2.270007
  H     -13.815562      2.629988      4.017385
  H     -13.195585      3.362099      6.314503
  H     -10.838341      3.816816      6.891353
  N      -2.575357      3.231271      3.111743
  N      -2.327522      3.138952      1.848691
  H      -2.299908      2.228237      1.383130
  H      -2.385993      3.968011      1.252800
99
Coordinates from ORCA-job orca E -6258.898568247202
  N      -3.007269      1.269360      5.119877
  Mo     -3.336068      3.292153      4.788080
  N      -4.440005      3.362118      6.436387
  C      -3.618709      3.491798      7.643859
  C      -2.301706      2.730282      7.462526
  N      -1.631879      3.069272      6.144821
  C      -0.767062      1.940461      5.677907
  C      -1.622935      0.903165      4.918474
  C      -0.852269      4.358512      6.241983
  C      -1.276829      5.246975      5.079179
  N      -2.737261      5.188121      5.068639
  H      -1.346623      0.921132      3.844155
  H      -1.426162     -0.116352      5.293749
  H      -0.009861      2.364895      5.007994
  H      -0.249799      1.512162      6.550270
  H      -0.903991      6.274290      5.222597
  H      -0.877248      4.861746      4.128274
  H      -1.125030      4.840286      7.190937
  H       0.225306      4.139431      6.271559
  H      -4.135541      3.056160      8.516472
  H      -3.432104      4.553987      7.889211
  H      -2.512284      1.656735      7.433139
  H      -1.591732      2.939754      8.278611
  C      -3.959127      0.925736      4.119280
  C      -5.021366     -0.105281      4.514280
  C      -6.233761     -0.085083      3.560677
  C      -5.823416     -0.099069      2.112421
  N      -5.750013      1.082282      1.503300
  C      -5.302816      1.098071      0.218832
  N      -4.906136      0.074105     -0.508813
  C      -4.983520     -1.153733      0.089606
  C      -4.584488     -2.301718     -0.636869
  C      -4.654146     -3.548214     -0.050022
  C      -5.123155     -3.697048      1.276975
  C      -5.518208     -2.595361      2.007827
  C      -5.457059     -1.300412      1.433403
  C      -3.348115      6.233855      5.889693
  C      -3.517760      7.530147      5.078521
  C      -4.598929      7.412030      4.008551
  C      -6.011569      7.426876      4.542917
  N      -6.201749      7.830573      5.792748
  C      -7.474564      7.822639      6.270972
  N      -8.567891      7.438913      5.643936
  C      -8.403784      7.033137      4.347086
  C      -9.536922      6.613870      3.608239
  C      -9.395709      6.208792      2.297658
  C      -8.123882      6.205338      1.678637
  C      -7.002313      6.599301      2.379309
  C      -7.114516      7.018826      3.728378
  C      -5.856934      3.090488      6.596918
  C      -6.729168      4.352575      6.594301
  C      -8.221541      4.049949      6.501960
  C      -8.695127      3.590153      5.144174
  N      -7.803823      3.444474      4.171505
  C      -8.259630      3.042589      2.951407
  N      -9.500380      2.769167      2.608071
  C     -10.442688      2.920047      3.589123
  C     -11.801712      2.665100      3.284992
  C     -12.768884      2.824238      4.256428
  C     -12.417082      3.239376      5.562067
  C     -11.098595      3.491501      5.885098
  C     -10.084133      3.337410      4.908215
  H      -3.496765      0.672486      3.146104
  H      -4.586184      1.872392      3.868194
  H      -5.358497      0.096647      5.540676
  H      -4.538758     -1.095093      4.515435
  H      -6.893090     -0.932860      3.792583
  H      -6.802724      0.839184      3.731735
  H      -5.267850      2.085355     -0.253848
  H      -4.232376     -2.165999     -1.660213
  H      -4.350055     -4.432171     -0.612871
  H      -5.175761     -4.692482      1.720087
  H      -5.884512     -2.721507      3.027198
  H      -4.333887      5.897364      6.232836
  H      -2.740735      6.451356      6.788829
  H      -2.560302      7.794942      4.604525
  H      -3.774438      8.339181      5.776642
  H      -4.506137      8.235188      3.278661
  H      -4.441424      6.486835      3.429784
  H      -7.590862      8.167198      7.303619
  H     -10.508054      6.625212      4.104804
  H     -10.268299      5.879160      1.732121
  H      -8.033672      5.880450      0.641125
  H      -6.026807      6.592943      1.892165
  H      -6.026430      2.513968      7.525718
  H      -6.186155      2.459415      5.755961
  H      -6.530307      4.948596      7.497985
  H      -6.437007      4.962860      5.728761
  H      -8.514037      3.293633      7.252066
  H      -8.793735      4.955405      6.763451
  H      -7.489720      2.916148      2.184545
  H     -12.050656      2.347938      2.271367
  H     -13.816250      2.630682      4.018996
  H     -13.195831      3.362640      6.316038
  H     -10.838436      3.816986      6.892571
  N      -2.574880      3.230782      3.112030
  N      -2.325409      3.136855      1.849431
  H      -2.298263      2.225625      1.384841
  H      -2.382486      3.965308      1.252575
99
Coordinates from ORCA-job orca E -6258.898569452918
  N      -3.009604      1.268219      5.121813
  Mo     -3.336420      3.291771      4.787253
  N      -4.440911      3.362910      6.435453
  C      -3.620379      3.492926      7.643410
  C      -2.303811      2.730539      7.463250
  N      -1.633439      3.068473      6.145658
  C      -0.769018      1.939185      5.679650
  C      -1.625324      0.900896      4.922008
  C      -0.853181      4.357299      6.242611
  C      -1.276021      5.245137      5.078730
  N      -2.736427      5.187007      5.066701
  H      -1.348171      0.916237      3.847868
  H      -1.429438     -0.117974      5.299520
  H      -0.012358      2.362841      5.008618
  H      -0.251029      1.511964      6.552129
  H      -0.902748      6.272354      5.221676
  H      -0.875651      4.859005      4.128518
  H      -1.126679      4.839927      7.190911
  H       0.224250      4.137672      6.273359
  H      -4.137895      3.058272      8.516102
  H      -3.433256      4.555225      7.887912
  H      -2.515020      1.657100      7.434435
  H      -1.594019      2.940069      8.279486
  C      -3.960203      0.925079      4.119891
  C      -5.023966     -0.104774      4.513695
  C      -6.235240     -0.083839      3.558617
  C      -5.822763     -0.095279      2.110961
  N      -5.749363      1.087110      1.503835
  C      -5.299613      1.105343      0.220268
  N      -4.900416      0.082902     -0.508150
  C      -4.977895     -1.145978      0.088192
  C      -4.576247     -2.292442     -0.639243
  C      -4.645832     -3.539907     -0.054422
  C      -5.117397     -3.691295      1.271398
  C      -5.515087     -2.591132      2.003079
  C      -5.454027     -1.295228      1.430765
  C      -3.347743      6.233923      5.886062
  C      -3.517049      7.529137      5.073167
  C      -4.598681      7.410245      4.003755
  C      -6.011090      7.425154      4.538787
  N      -6.200705      7.830137      5.788299
  C      -7.473319      7.822510      6.267152
  N      -8.566922      7.438391      5.640899
  C      -8.403408      7.031179      4.344421
  C      -9.536928      6.611319      3.606442
  C      -9.396234      6.204680      2.296300
  C      -8.124609      6.200191      1.676845
  C      -7.002708      6.594747      2.376638
  C      -7.114380      7.015936      3.725253
  C      -5.857785      3.090556      6.595735
  C      -6.730058      4.352591      6.593494
  C      -8.222695      4.050455      6.503718
  C      -8.698835      3.589897      5.147070
  N      -7.809205      3.442497      4.173154
  C      -8.267326      3.039958      2.954077
  N      -9.508859      2.767354      2.612978
  C     -10.449476      2.920114      3.595388
  C     -11.809203      2.666270      3.293504
  C     -12.774789      2.827369      4.266210
  C     -12.420561      3.243385      5.570905
  C     -11.101327      3.494411      5.891743
  C     -10.088480      3.338354      4.913511
  H      -3.496515      0.670718      3.147595
  H      -4.585761      1.872370      3.867026
  H      -5.361978      0.097546      5.539709
  H      -4.542176     -1.094985      4.515444
  H      -6.894164     -0.932510      3.788426
  H      -6.805162      0.839697      3.730270
  H      -5.264644      2.093391     -0.250782
  H      -4.222240     -2.154842     -1.661682
  H      -4.339705     -4.422669     -0.618037
  H      -5.169890     -4.687468      1.712869
  H      -5.883469     -2.719188      3.021466
  H      -4.333573      5.897732      6.229333
  H      -2.740627      6.452540      6.785091
  H      -2.559659      7.792514      4.598224
  H      -3.772746      8.339406      5.770203
  H      -4.506445      8.233162      3.273513
  H      -4.441199      6.484882      3.425244
  H      -7.589170      8.167810      7.299600
  H     -10.507847      6.623411      4.103416
  H     -10.269043      5.874576      1.731369
  H      -8.034860      5.873985      0.639709
  H      -6.027413      6.587706      1.889115
  H      -6.027304      2.513883      7.524440
  H      -6.186728      2.459691      5.754546
  H      -6.529732      4.948920      7.496695
  H      -6.439046      4.962572      5.727346
  H      -8.514309      3.294830      7.254873
  H      -8.793999      4.956383      6.765502
  H      -7.498620      2.911931      2.186233
  H     -12.059964      2.348386      2.280554
  H     -13.822718      2.634717      4.030538
  H     -13.198079      3.368187      6.325897
  H     -10.839399      3.820555      6.898553
  N      -2.570425      3.226603      3.113499
  N      -2.311266      3.123346      1.853652
  H      -2.283032      2.208871      1.395453
  H      -2.362590      3.947674      1.250650
99
Coordinates from ORCA-job orca E -6258.898569349917
  N      -3.009447      1.267813      5.122334
  Mo     -3.336227      3.291413      4.787154
  N      -4.440760      3.362800      6.435334
  C      -3.620336      3.493034      7.643343
  C      -2.303711      2.730695      7.463366
  N      -1.633343      3.068445      6.145731
  C      -0.768853      1.939131      5.679915
  C      -1.625118      0.900595      4.922551
  C      -0.853180      4.357349      6.242461
  C      -1.275953      5.244925      5.078336
  N      -2.736366      5.186692      5.066176
  H      -1.347978      0.915705      3.848405
  H      -1.429114     -0.118172      5.300288
  H      -0.012282      2.362725      5.008739
  H      -0.250768      1.512136      6.552449
  H      -0.902765      6.272198      5.221093
  H      -0.875471      4.858616      4.128244
  H      -1.126841      4.840177      7.190612
  H       0.224262      4.137797      6.273401
  H      -4.137887      3.058489      8.516069
  H      -3.433287      4.555382      7.887679
  H      -2.514870      1.657241      7.434741
  H      -1.593954      2.940407      8.279586
  C      -3.959985      0.924624      4.120378
  C      -5.023892     -0.105038      4.514275
  C      -6.235292     -0.084070      3.559324
  C      -5.823010     -0.094964      2.111606
  N      -5.750153      1.087626      1.504807
  C      -5.300623      1.106396      0.221167
  N      -4.901195      0.084309     -0.507620
  C      -4.978166     -1.144782      0.088364
  C      -4.576279     -2.290890     -0.639496
  C      -4.645342     -3.538556     -0.055035
  C      -5.116601     -3.690492      1.270829
  C      -5.514517     -2.590678      2.002925
  C      -5.454000     -1.294582      1.430984
  C      -3.347821      6.233700      5.885322
  C      -3.517421      7.528710      5.072171
  C      -4.599388      7.409572      4.003117
  C      -6.011631      7.424553      4.538612
  N      -6.200803      7.829751      5.788121
  C      -7.473267      7.822414      6.267360
  N      -8.567147      7.438501      5.641466
  C      -8.404107      7.031134      4.344980
  C      -9.537973      6.611642      3.607339
  C      -9.397779      6.204885      2.297180
  C      -8.126318      6.199887      1.677395
  C      -7.004088      6.594106      2.376854
  C      -7.115246      7.015440      3.725463
  C      -5.857618      3.090375      6.595536
  C      -6.729826      4.352445      6.593497
  C      -8.222480      4.050433      6.503726
  C      -8.698464      3.589683      5.147106
  N      -7.808594      3.441649      4.173518
  C      -8.266474      3.038924      2.954430
  N      -9.508019      2.766776      2.612999
  C     -10.448895      2.920188      3.595068
  C     -11.808626      2.666804      3.292825
  C     -12.774453      2.828518      4.265189
  C     -12.420470      3.244726      5.569887
  C     -11.101240      3.495325      5.891074
  C     -10.088143      3.338622      4.913201
  H      -3.496249      0.670032      3.148162
  H      -4.585372      1.871977      3.867132
  H      -5.361791      0.097380      5.540310
  H      -4.542197     -1.095296      4.516061
  H      -6.893993     -0.932962      3.788947
  H      -6.805408      0.839279      3.731324
  H      -5.266019      2.094604     -0.249576
  H      -4.222521     -2.152855     -1.661962
  H      -4.339041     -4.421050     -0.618976
  H      -5.168681     -4.686811      1.712021
  H      -5.882653     -2.719185      3.021348
  H      -4.333569      5.897410      6.228737
  H      -2.740680      6.452619      6.784259
  H      -2.560174      7.792011      4.596896
  H      -3.772932      8.339131      5.769096
  H      -4.507423      8.232405      3.272745
  H      -4.442049      6.484151      3.424669
  H      -7.588729      8.167865      7.299800
  H     -10.508751      6.624119      4.104576
  H     -10.270851      5.875061      1.732495
  H      -8.036969      5.873593      0.640251
  H      -6.028933      6.586722      1.889056
  H      -6.027214      2.513479      7.524089
  H      -6.186521      2.459756      5.754150
  H      -6.529400      4.948694      7.496725
  H      -6.438818      4.962465      5.727369
  H      -8.514227      3.294982      7.254999
  H      -8.793692      4.956486      6.765269
  H      -7.497584      2.910665      2.186809
  H     -12.059187      2.348765      2.279875
  H     -13.822382      2.636216      4.029243
  H     -13.198177      3.370029      6.324604
  H     -10.839520      3.821623      6.897883
  N      -2.569776      3.225665      3.113617
  N      -2.309684      3.121161      1.854077
  H      -2.281703      2.206269      1.396686
  H      -2.359995      3.944990      1.250307
