89
Coordinates from ORCA-job orca E -6140.346277411696
  N      -2.830553      0.631898      5.065732
  Mo     -3.506188      2.511168      5.048774
  N      -5.116823      2.288066      6.158164
  C      -4.970046      2.420332      7.587511
  C      -3.636170      1.794026      8.002872
  N      -2.564437      2.283193      7.120372
  C      -1.508049      1.276926      6.990583
  C      -2.027791      0.103362      6.144809
  C      -2.038758      3.575725      7.597927
  C      -1.992260      4.556853      6.406569
  N      -3.203214      4.347960      5.656957
  H      -1.162801     -0.456962      5.758724
  H      -2.608440     -0.598100      6.766047
  H      -0.670386      1.738947      6.458960
  H      -1.164591      0.927318      7.973897
  H      -1.888909      5.584389      6.773375
  H      -1.129402      4.323144      5.771118
  H      -2.723214      3.983387      8.346372
  H      -1.051858      3.459383      8.055644
  H      -5.781859      1.916721      8.131847
  H      -4.993801      3.483634      7.880571
  H      -3.730028      0.715039      7.871186
  H      -3.406541      2.001522      9.054627
  C      -2.626871     -0.020642      3.800302
  C      -3.579766     -1.212172      3.547668
  C      -4.595943     -0.943955      2.466752
  N      -4.587916      0.259118      1.887673
  C      -5.460619      0.474502      0.899924
  N      -6.313545     -0.364249      0.393179
  C      -6.377457     -1.593818      0.974533
  C      -7.302073     -2.529246      0.494037
  C      -7.385039     -3.774492      1.074181
  C      -6.549639     -4.116588      2.140284
  C      -5.629707     -3.220647      2.628114
  C      -5.514928     -1.938625      2.055759
  C      -4.232244      5.316890      5.856536
  C      -4.152068      6.496846      4.841103
  C      -4.314752      5.986215      3.450016
  N      -5.575398      5.779500      3.058078
  C      -5.773442      5.312787      1.833948
  N      -4.872257      5.006326      0.932072
  C      -3.569887      5.216811      1.285958
  C      -2.562965      4.942369      0.350823
  C      -1.244430      5.179113      0.667468
  C      -0.900348      5.680464      1.923910
  C      -1.866403      5.942588      2.865402
  C      -3.226034      5.719798      2.576281
  C      -6.430101      1.916254      5.707007
  C      -6.324945      0.685685      4.776266
  C      -7.308870      0.712340      3.657269
  N      -7.288528      1.828809      2.928960
  C      -8.141945      1.925098      1.911266
  N      -9.032539      1.054802      1.540636
  C      -9.084490     -0.101597      2.248250
  C     -10.022561     -1.078504      1.878182
  C     -10.096687     -2.259316      2.573384
  C      -9.238459     -2.500203      3.651856
  C      -8.314962     -1.562460      4.036972
  C      -8.213933     -0.333707      3.353487
  H      -2.810848      0.711490      3.011096
  H      -1.583571     -0.368859      3.706480
  H      -4.104680     -1.459415      4.475895
  H      -3.008130     -2.097431      3.256072
  H      -5.424100      1.462148      0.449706
  H      -7.934761     -2.237839     -0.328714
  H      -8.096511     -4.493667      0.700740
  H      -6.627345     -5.097531      2.582643
  H      -4.987083     -3.494962      3.449857
  H      -5.204311      4.831778      5.697625
  H      -4.195901      5.753498      6.866501
  H      -4.975679      7.176229      5.062905
  H      -3.205776      7.020175      4.964777
  H      -6.809704      5.166704      1.545123
  H      -2.856721      4.559758     -0.614820
  H      -0.472965      4.978659     -0.059371
  H       0.137357      5.862568      2.155502
  H      -1.579563      6.326851      3.831071
  H      -7.103365      1.688795      6.547259
  H      -6.894757      2.740133      5.139010
  H      -5.321054      0.779169      4.347728
  H      -6.398296     -0.233707      5.356727
  H      -8.082229      2.845724      1.338756
  H     -10.667186     -0.864280      1.041063
  H     -10.818312     -3.008977      2.289787
  H      -9.306476     -3.434092      4.187481
  H      -7.663055     -1.767584      4.872324
  N      -4.276114      2.727848      3.074651
  N      -4.728672      2.855211      1.914274
  H      -3.987507      3.091995      1.245481
89
Coordinates from ORCA-job orca E -6140.349497553882
  N      -2.816130      0.601321      4.977557
  Mo     -3.465882      2.503043      5.036010
  N      -5.087840      2.264961      6.109755
  C      -4.949803      2.333150      7.551370
  C      -3.627435      1.669107      7.953544
  N      -2.530919      2.179584      7.096579
  C      -1.481944      1.164126      6.934346
  C      -2.017601      0.039342      6.049790
  C      -1.978688      3.445532      7.627316
  C      -1.904959      4.466581      6.476002
  N      -3.126697      4.318494      5.717998
  H      -1.164286     -0.527644      5.646005
  H      -2.611477     -0.667162      6.655758
  H      -0.632377      1.634531      6.424995
  H      -1.148227      0.773448      7.907647
  H      -1.778063      5.478786      6.881512
  H      -1.043528      4.238086      5.833394
  H      -2.656853      3.839813      8.391124
  H      -0.994819      3.286902      8.083875
  H      -5.776616      1.822180      8.065986
  H      -4.957026      3.384848      7.890063
  H      -3.735803      0.595932      7.776119
  H      -3.403260      1.829398      9.016673
  C      -2.616726     -0.082193      3.709720
  C      -3.594777     -1.290309      3.594566
  C      -4.718075     -1.210495      2.585350
  N      -4.852203     -0.118264      1.841714
  C      -5.847045     -0.100692      0.934756
  N      -6.697672     -1.051694      0.657820
  C      -6.613064     -2.176971      1.419662
  C      -7.528607     -3.220625      1.202958
  C      -7.469080     -4.359974      1.974688
  C      -6.492659     -4.492053      2.974247
  C      -5.579323     -3.486897      3.203342
  C      -5.612454     -2.304571      2.430851
  C      -4.113382      5.338016      5.989003
  C      -4.045436      6.593650      5.062631
  C      -4.335514      6.221022      3.650081
  N      -5.639375      6.123825      3.366388
  C      -5.989355      5.782951      2.125608
  N      -5.189494      5.505464      1.120798
  C      -3.849356      5.601403      1.372610
  C      -2.959292      5.326381      0.327841
  C      -1.599493      5.445148      0.524925
  C      -1.097967      5.827217      1.779061
  C      -1.951600      6.079004      2.831156
  C      -3.348814      5.970467      2.658880
  C      -6.389772      1.943567      5.564222
  C      -6.248222      0.774839      4.555230
  C      -7.148912      0.901547      3.368737
  N      -7.046780      2.068316      2.732561
  C      -7.814448      2.273574      1.654791
  N      -8.692618      1.450449      1.141041
  C      -8.819463      0.239683      1.752762
  C      -9.734172     -0.694693      1.227430
  C      -9.875396     -1.929047      1.818550
  C      -9.114147     -2.268430      2.949407
  C      -8.217565     -1.376351      3.486247
  C      -8.045821     -0.097765      2.909789
  H      -2.805336      0.615432      2.888036
  H      -1.580576     -0.448854      3.604556
  H      -4.051046     -1.441253      4.581070
  H      -3.027375     -2.197377      3.355428
  H      -5.926817      0.807909      0.340521
  H      -8.272561     -3.090672      0.427012
  H      -8.180896     -5.159837      1.807558
  H      -6.459067     -5.395227      3.572258
  H      -4.830576     -3.597729      3.978536
  H      -5.116466      4.912426      5.846863
  H      -4.006277      5.702381      7.023386
  H      -4.826077      7.286746      5.387449
  H      -3.068285      7.067942      5.174279
  H      -7.060989      5.716546      1.926392
  H      -3.385663      5.031207     -0.619829
  H      -0.915473      5.243810     -0.290951
  H      -0.027478      5.918540      1.919967
  H      -1.546734      6.362822      3.794605
  H      -7.115129      1.683222      6.349828
  H      -6.803751      2.810630      5.021800
  H      -5.218831      0.875692      4.194089
  H      -6.370646     -0.184190      5.063332
  H      -7.683891      3.242818      1.166547
  H     -10.304280     -0.406274      0.353040
  H     -10.573780     -2.649619      1.411221
  H      -9.235080     -3.245577      3.401847
  H      -7.637224     -1.658327      4.356837
  N      -4.177116      2.822024      3.100164
  N      -4.589776      3.008042      1.963464
  H      -3.829676      3.261298      1.295656
89
Coordinates from ORCA-job orca E -6140.396156523945
  N      -2.720335      0.563987      5.079040
  Mo     -3.384284      2.463364      5.077142
  N      -5.055162      2.271015      6.086853
  C      -4.958539      2.390262      7.533342
  C      -3.663523      1.722842      8.009356
  N      -2.529490      2.200206      7.176204
  C      -1.472344      1.173708      7.078554
  C      -1.967646      0.024724      6.201101
  C      -1.996470      3.488214      7.693380
  C      -1.881431      4.479708      6.519577
  N      -3.082489      4.304283      5.721139
  H      -1.094512     -0.547055      5.847997
  H      -2.585498     -0.673696      6.795744
  H      -0.602617      1.633093      6.588929
  H      -1.175656      0.811685      8.076721
  H      -1.773717      5.504337      6.903624
  H      -0.993156      4.242204      5.914438
  H      -2.706247      3.900670      8.420597
  H      -1.030023      3.342487      8.194276
  H      -5.810905      1.907147      8.033709
  H      -4.963333      3.454334      7.836711
  H      -3.775737      0.642946      7.866062
  H      -3.474935      1.917987      9.075458
  C      -2.466959     -0.140340      3.815983
  C      -3.444861     -1.338580      3.615544
  C      -4.473608     -1.165818      2.517386
  N      -4.462374     -0.030250      1.834928
  C      -5.361772      0.126043      0.838804
  N      -6.245146     -0.747266      0.419413
  C      -6.312062     -1.917497      1.117028
  C      -7.289214     -2.864657      0.754881
  C      -7.411391     -4.037031      1.466398
  C      -6.545051     -4.311576      2.544863
  C      -5.568011     -3.406853      2.913997
  C      -5.427185     -2.183616      2.212884
  C      -4.101436      5.321721      5.933724
  C      -4.083398      6.564597      4.987734
  C      -4.381118      6.147731      3.586013
  N      -5.685629      5.976947      3.332884
  C      -6.049240      5.580348      2.101124
  N      -5.249102      5.318569      1.088038
  C      -3.911223      5.487107      1.316191
  C      -3.026720      5.206637      0.265127
  C      -1.667403      5.388606      0.430298
  C      -1.157611      5.840913      1.664856
  C      -2.004840      6.092852      2.725872
  C      -3.402168      5.917287      2.581882
  C      -6.371288      1.947544      5.543978
  C      -6.347451      0.708339      4.611836
  C      -7.280262      0.806249      3.444201
  N      -7.113239      1.887153      2.690006
  C      -7.901506      2.053331      1.612619
  N      -8.858048      1.244546      1.202112
  C      -9.048896      0.110034      1.942884
  C     -10.031763     -0.823865      1.538107
  C     -10.224691     -1.982211      2.263119
  C      -9.462882     -2.240559      3.420240
  C      -8.501604     -1.352392      3.839503
  C      -8.264493     -0.160074      3.115662
  H      -2.612375      0.556025      2.981688
  H      -1.426389     -0.506319      3.769192
  H      -3.978653     -1.505285      4.562774
  H      -2.884931     -2.258946      3.396584
  H      -5.317238      1.073439      0.298884
  H      -7.946229     -2.625725     -0.077184
  H      -8.190818     -4.746661      1.193642
  H      -6.653686     -5.243451      3.096618
  H      -4.910632     -3.624931      3.753026
  H      -5.093255      4.869286      5.788246
  H      -4.016636      5.704536      6.964553
  H      -4.893715      7.229706      5.307514
  H      -3.125941      7.088032      5.084748
  H      -7.123804      5.429755      1.925597
  H      -3.465347      4.849439     -0.658090
  H      -0.987469      5.181877     -0.393803
  H      -0.085076      5.982260      1.783056
  H      -1.594637      6.425965      3.676437
  H      -7.091245      1.759083      6.354844
  H      -6.751693      2.804461      4.962361
  H      -5.331036      0.690133      4.204512
  H      -6.521797     -0.197322      5.201480
  H      -7.707613      2.970433      1.031988
  H     -10.605184     -0.600670      0.641295
  H     -10.960273     -2.715909      1.942956
  H      -9.628913     -3.158689      3.979224
  H      -7.913038     -1.575195      4.726584
  N      -3.963374      2.720535      3.140076
  N      -4.294860      2.862677      1.994987
  H      -3.497640      3.093452      1.343940
89
Coordinates from ORCA-job orca E -6140.412543273404
  N      -2.674842      0.585273      5.022830
  Mo     -3.397491      2.466679      5.058456
  N      -5.071670      2.244668      6.046328
  C      -4.968734      2.347274      7.498498
  C      -3.672711      1.686933      7.972846
  N      -2.534757      2.192721      7.150970
  C      -1.450429      1.186596      7.041691
  C      -1.913916      0.046807      6.145590
  C      -2.017591      3.488200      7.684206
  C      -1.902608      4.485133      6.518959
  N      -3.106937      4.317884      5.711534
  H      -1.028194     -0.503227      5.788202
  H      -2.520892     -0.674219      6.727307
  H      -0.588848      1.677765      6.564708
  H      -1.148393      0.820394      8.038188
  H      -1.799911      5.510451      6.906045
  H      -1.006376      4.257557      5.918664
  H      -2.734618      3.884861      8.415412
  H      -1.051800      3.341440      8.189868
  H      -5.820032      1.851303      7.988738
  H      -4.983733      3.408028      7.814753
  H      -3.766700      0.605271      7.816461
  H      -3.488563      1.872262      9.042826
  C      -2.418411     -0.121120      3.751922
  C      -3.378061     -1.332443      3.565714
  C      -4.430271     -1.170381      2.487097
  N      -4.449303     -0.037110      1.805989
  C      -5.389773      0.119116      0.838311
  N      -6.285280     -0.763196      0.449690
  C      -6.314150     -1.936229      1.150904
  C      -7.306008     -2.890612      0.832805
  C      -7.401863     -4.057314      1.560443
  C      -6.489570     -4.326587      2.607432
  C      -5.497719     -3.418211      2.929625
  C      -5.388433     -2.197330      2.215532
  C      -4.129073      5.339666      5.921225
  C      -4.095015      6.582111      4.980127
  C      -4.367254      6.186856      3.563014
  N      -5.657008      5.995582      3.270694
  C      -5.972009      5.589977      2.018210
  N      -5.132094      5.343962      1.028803
  C      -3.806615      5.532242      1.306455
  C      -2.864824      5.235968      0.298174
  C      -1.514159      5.424398      0.526449
  C      -1.063126      5.897621      1.781444
  C      -1.961964      6.156180      2.798978
  C      -3.352759      5.972205      2.590836
  C      -6.393533      1.923172      5.498286
  C      -6.398146      0.692228      4.557301
  C      -7.370411      0.807837      3.417133
  N      -7.232433      1.891998      2.662573
  C      -8.071261      2.061549      1.614760
  N      -9.038302      1.246289      1.230344
  C      -9.189798      0.105750      1.969864
  C     -10.169816     -0.843764      1.585084
  C     -10.320403     -2.013202      2.303656
  C      -9.525030     -2.267342      3.444470
  C      -8.565948     -1.364113      3.844775
  C      -8.364965     -0.163695      3.116930
  H      -2.582454      0.568825      2.914443
  H      -1.372899     -0.468111      3.698543
  H      -3.897426     -1.505759      4.522364
  H      -2.808133     -2.248804      3.342664
  H      -5.373446      1.073890      0.303922
  H      -8.001098     -2.655062      0.026454
  H      -8.202437     -4.764253      1.330925
  H      -6.577771     -5.255852      3.173666
  H      -4.806523     -3.630950      3.747130
  H      -5.120096      4.885030      5.770466
  H      -4.051931      5.715804      6.956003
  H      -4.911341      7.244110      5.297845
  H      -3.136278      7.105942      5.095926
  H      -7.036059      5.416120      1.808533
  H      -3.258507      4.849768     -0.639002
  H      -0.791890      5.204935     -0.262073
  H       0.005276      6.044560      1.949780
  H      -1.598030      6.497184      3.769480
  H      -7.096111      1.733636      6.324256
  H      -6.779482      2.786529      4.930681
  H      -5.394620      0.659532      4.114423
  H      -6.559208     -0.220736      5.142360
  H      -7.910120      2.984193      1.036575
  H     -10.771782     -0.625663      0.701536
  H     -11.045169     -2.765846      1.989300
  H      -9.659518     -3.197085      3.999962
  H      -7.945313     -1.585245      4.713645
  N      -3.957671      2.703864      3.202110
  N      -4.286195      2.834706      2.067100
  H      -3.524418      3.087039      1.380657
89
Coordinates from ORCA-job orca E -6140.422894947586
  N      -2.659265      0.621445      4.986842
  Mo     -3.420136      2.484015      5.062101
  N      -5.094642      2.251576      6.030096
  C      -4.977489      2.340676      7.485783
  C      -3.682785      1.679475      7.955555
  N      -2.540278      2.198680      7.142121
  C      -1.442375      1.203476      7.018107
  C      -1.891016      0.075015      6.105348
  C      -2.021709      3.496735      7.682661
  C      -1.902004      4.493276      6.519344
  N      -3.116190      4.342448      5.716944
  H      -1.000894     -0.462662      5.739932
  H      -2.491509     -0.662696      6.674137
  H      -0.589049      1.718251      6.550305
  H      -1.133865      0.833537      8.011286
  H      -1.792289      5.519117      6.904316
  H      -1.006379      4.266846      5.916762
  H      -2.737388      3.886105      8.419721
  H      -1.056900      3.339914      8.188361
  H      -5.829191      1.839148      7.970491
  H      -4.995200      3.398636      7.809476
  H      -3.764892      0.597669      7.789285
  H      -3.498556      1.856237      9.027217
  C      -2.418556     -0.087608      3.711530
  C      -3.350409     -1.313722      3.533012
  C      -4.408928     -1.153296      2.458587
  N      -4.438097     -0.019843      1.778493
  C      -5.392638      0.137312      0.819084
  N      -6.291041     -0.747676      0.441136
  C      -6.302706     -1.923857      1.141424
  C      -7.294512     -2.885516      0.834324
  C      -7.376388     -4.052545      1.563980
  C      -6.450541     -4.318322      2.601476
  C      -5.459886     -3.405297      2.910408
  C      -5.366048     -2.184966      2.194758
  C      -4.140454      5.356569      5.930216
  C      -4.089970      6.578918      4.976133
  C      -4.378214      6.174684      3.558988
  N      -5.662146      5.990990      3.259055
  C      -5.962934      5.576995      1.999013
  N      -5.116437      5.321512      1.016048
  C      -3.793716      5.496187      1.307550
  C      -2.828010      5.171791      0.318072
  C      -1.481606      5.340122      0.577031
  C      -1.049524      5.822338      1.837177
  C      -1.965442      6.106899      2.830609
  C      -3.355261      5.941566      2.595713
  C      -6.417648      1.938707      5.484472
  C      -6.419939      0.708137      4.555114
  C      -7.399484      0.829951      3.420729
  N      -7.264116      1.910071      2.662188
  C      -8.115559      2.066146      1.617562
  N      -9.076889      1.243126      1.238494
  C      -9.217811      0.107421      1.983340
  C     -10.189035     -0.852786      1.600820
  C     -10.330825     -2.019717      2.322376
  C      -9.536687     -2.263421      3.468605
  C      -8.585345     -1.349306      3.866561
  C      -8.393060     -0.150591      3.130402
  H      -2.604505      0.593926      2.872393
  H      -1.367257     -0.411928      3.655073
  H      -3.862370     -1.503285      4.491395
  H      -2.768101     -2.223247      3.311101
  H      -5.387182      1.097471      0.294270
  H      -8.001583     -2.652510      0.036869
  H      -8.178744     -4.762134      1.347176
  H      -6.527765     -5.248138      3.168843
  H      -4.757338     -3.616191      3.719138
  H      -5.131239      4.896488      5.793511
  H      -4.061928      5.735576      6.963818
  H      -4.895262      7.253509      5.298674
  H      -3.126016      7.096305      5.077934
  H      -7.023706      5.409890      1.782369
  H      -3.202641      4.776783     -0.628003
  H      -0.743947      5.099524     -0.191259
  H       0.017410      5.955230      2.026538
  H      -1.617299      6.452509      3.805356
  H      -7.109849      1.758138      6.321461
  H      -6.801917      2.801857      4.916970
  H      -5.419999      0.660288      4.101116
  H      -6.575149     -0.207167      5.137381
  H      -7.969097      2.983664      1.035757
  H     -10.791511     -0.644890      0.714609
  H     -11.046452     -2.781658      2.006338
  H      -9.665155     -3.193017      4.026733
  H      -7.963198     -1.561734      4.736299
  N      -3.966170      2.700182      3.310691
  N      -4.304382      2.821743      2.166366
  H      -3.588973      3.079338      1.448216
89
Coordinates from ORCA-job orca E -6140.427516168234
  N      -2.617809      0.647069      4.955002
  Mo     -3.428943      2.481570      5.061754
  N      -5.109533      2.227652      6.007358
  C      -4.993449      2.295002      7.465665
  C      -3.696351      1.641134      7.935820
  N      -2.551099      2.184113      7.144621
  C      -1.440724      1.205160      7.016437
  C      -1.862999      0.088248      6.076247
  C      -2.051450      3.483909      7.697488
  C      -1.915512      4.481164      6.535981
  N      -3.117756      4.343642      5.715768
  H      -0.962551     -0.434963      5.715071
  H      -2.465234     -0.666558      6.619480
  H      -0.590656      1.742651      6.570017
  H      -1.137607      0.824712      8.006796
  H      -1.807219      5.506820      6.922012
  H      -1.012481      4.256170      5.945146
  H      -2.780059      3.863878      8.426113
  H      -1.094778      3.328354      8.218137
  H      -5.844127      1.780718      7.939020
  H      -5.023058      3.348224      7.801928
  H      -3.758679      0.561030      7.752991
  H      -3.525019      1.804749      9.011431
  C      -2.387436     -0.060562      3.680937
  C      -3.304678     -1.296626      3.512534
  C      -4.377345     -1.150028      2.449384
  N      -4.422710     -0.025015      1.755585
  C      -5.398539      0.118066      0.817204
  N      -6.302346     -0.771122      0.470792
  C      -6.293652     -1.940565      1.181042
  C      -7.287586     -2.908639      0.906089
  C      -7.350551     -4.066134      1.651877
  C      -6.403820     -4.316305      2.672342
  C      -5.410251     -3.397304      2.948366
  C      -5.335996     -2.186806      2.216409
  C      -4.142149      5.355941      5.921598
  C      -4.071967      6.579597      4.972778
  C      -4.358234      6.194298      3.549941
  N      -5.639952      6.014265      3.244083
  C      -5.934246      5.615509      1.979286
  N      -5.086258      5.374983      0.996461
  C      -3.763878      5.537972      1.294717
  C      -2.794714      5.199397      0.314470
  C      -1.449733      5.340904      0.588117
  C      -1.020786      5.812248      1.851888
  C      -1.940283      6.108951      2.836767
  C      -3.329848      5.967011      2.588598
  C      -6.434157      1.932872      5.458439
  C      -6.446905      0.709363      4.522274
  C      -7.447945      0.841672      3.406888
  N      -7.334851      1.935384      2.664776
  C      -8.210372      2.100984      1.642774
  N      -9.166665      1.274934      1.266352
  C      -9.282689      0.124648      1.991915
  C     -10.247382     -0.839180      1.605122
  C     -10.366365     -2.019311      2.306835
  C      -9.556237     -2.272481      3.438588
  C      -8.610125     -1.354923      3.839543
  C      -8.438990     -0.143463      3.120477
  H      -2.588422      0.616141      2.842405
  H      -1.331543     -0.370259      3.620514
  H      -3.804641     -1.495320      4.474873
  H      -2.715189     -2.200109      3.289458
  H      -5.409423      1.074364      0.287772
  H      -8.012062     -2.686994      0.122612
  H      -8.155516     -4.779242      1.464771
  H      -6.466228     -5.238660      3.251384
  H      -4.689801     -3.596972      3.742490
  H      -5.132072      4.896297      5.780138
  H      -4.074843      5.730469      6.957712
  H      -4.870776      7.261069      5.297354
  H      -3.107337      7.090364      5.082671
  H      -6.994063      5.449760      1.760182
  H      -3.162612      4.807334     -0.633672
  H      -0.709312      5.087095     -0.171713
  H       0.045588      5.926044      2.050428
  H      -1.595616      6.442674      3.815234
  H      -7.123216      1.755190      6.298619
  H      -6.812272      2.804035      4.899638
  H      -5.455746      0.658789      4.050740
  H      -6.591692     -0.212796      5.095186
  H      -8.089923      3.031529      1.076646
  H     -10.863133     -0.623319      0.731388
  H     -11.074599     -2.783796      1.984101
  H      -9.667465     -3.211855      3.981487
  H      -7.974536     -1.575543      4.696213
  N      -3.962820      2.684032      3.323429
  N      -4.295023      2.790945      2.165006
  H      -3.584153      3.058163      1.455208
89
Coordinates from ORCA-job orca E -6140.431350561736
  N      -2.594514      0.685260      4.920722
  Mo     -3.443715      2.492667      5.078471
  N      -5.128337      2.227708      6.003790
  C      -5.010783      2.269117      7.465394
  C      -3.715458      1.608218      7.929225
  N      -2.562394      2.164868      7.159489
  C      -1.451210      1.190323      7.016891
  C      -1.859625      0.098913      6.041517
  C      -2.064468      3.458582      7.728512
  C      -1.902017      4.458474      6.573107
  N      -3.096371      4.349716      5.739298
  H      -0.953716     -0.415695      5.680442
  H      -2.470419     -0.670966      6.553013
  H      -0.598834      1.742902      6.594257
  H      -1.155202      0.787687      8.000593
  H      -1.781157      5.481593      6.963675
  H      -0.995662      4.225070      5.990882
  H      -2.800343      3.836000      8.451131
  H      -1.116647      3.291326      8.262137
  H      -5.862971      1.747087      7.927911
  H      -5.043312      3.316989      7.818050
  H      -3.769613      0.531323      7.725477
  H      -3.553864      1.751813      9.009533
  C      -2.374647     -0.022931      3.646690
  C      -3.290774     -1.261829      3.483959
  C      -4.366222     -1.142103      2.418660
  N      -4.415448     -0.041641      1.687977
  C      -5.397672      0.069893      0.751398
  N      -6.303281     -0.829222      0.440347
  C      -6.286224     -1.977791      1.182851
  C      -7.275371     -2.958940      0.940057
  C      -7.329349     -4.093616      1.720753
  C      -6.378694     -4.307916      2.745248
  C      -5.388647     -3.375992      2.989422
  C      -5.323649     -2.188127      2.220816
  C      -4.111186      5.372183      5.941654
  C      -4.031002      6.589449      4.988537
  C      -4.335155      6.204703      3.569002
  N      -5.620886      6.017309      3.285166
  C      -5.935538      5.617978      2.025989
  N      -5.104568      5.390872      1.027300
  C      -3.776826      5.555266      1.302330
  C      -2.826489      5.219721      0.304972
  C      -1.477046      5.347785      0.560173
  C      -1.024356      5.809326      1.819193
  C      -1.926470      6.110986      2.818514
  C      -3.320478      5.979242      2.590417
  C      -6.452267      1.955152      5.442068
  C      -6.470293      0.723153      4.519328
  C      -7.466432      0.850183      3.397349
  N      -7.336117      1.933291      2.642644
  C      -8.195348      2.089166      1.605378
  N      -9.144589      1.258727      1.222606
  C      -9.278683      0.118445      1.963185
  C     -10.236886     -0.849329      1.570108
  C     -10.375753     -2.016927      2.289154
  C      -9.593490     -2.251534      3.444124
  C      -8.652347     -1.330940      3.849526
  C      -8.459419     -0.133896      3.112850
  H      -2.574777      0.651431      2.806449
  H      -1.317347     -0.330543      3.589021
  H      -3.790943     -1.457664      4.446903
  H      -2.697472     -2.165444      3.271969
  H      -5.415736      1.012416      0.197966
  H      -8.004464     -2.764228      0.153592
  H      -8.132034     -4.816016      1.561517
  H      -6.434121     -5.213449      3.351076
  H      -4.662678     -3.549675      3.784616
  H      -5.105392      4.920228      5.805723
  H      -4.042550      5.746692      6.978142
  H      -4.819755      7.281601      5.317524
  H      -3.063153      7.094990      5.090198
  H      -6.999785      5.444631      1.828685
  H      -3.208130      4.837450     -0.641446
  H      -0.749817      5.092370     -0.212006
  H       0.045997      5.915719      2.000337
  H      -1.564442      6.440800      3.791999
  H      -7.150944      1.795919      6.278064
  H      -6.808569      2.829083      4.873967
  H      -5.479359      0.650684      4.050546
  H      -6.623507     -0.193725      5.099067
  H      -8.065214      3.014317      1.029573
  H     -10.832324     -0.646661      0.679223
  H     -11.077377     -2.785237      1.961194
  H      -9.720886     -3.180720      4.000799
  H      -8.036170     -1.539710      4.723478
  N      -3.975140      2.710914      3.347144
  N      -4.303185      2.822320      2.186863
  H      -3.583680      3.096852      1.492356
89
Coordinates from ORCA-job orca E -6140.434817670865
  N      -2.555653      0.725976      4.902305
  Mo     -3.458755      2.492420      5.093483
  N      -5.145754      2.208952      6.000240
  C      -5.029690      2.228797      7.464668
  C      -3.729153      1.578286      7.924850
  N      -2.574697      2.157001      7.175911
  C      -1.452655      1.197964      7.026062
  C      -1.835284      0.122852      6.023490
  C      -2.092653      3.452073      7.753478
  C      -1.905897      4.446534      6.598444
  N      -3.086610      4.349600      5.746916
  H      -0.918560     -0.376003      5.666283
  H      -2.446791     -0.664599      6.506412
  H      -0.603164      1.769643      6.624011
  H      -1.160453      0.780974      8.004816
  H      -1.781345      5.470357      6.987158
  H      -0.992276      4.205947      6.030819
  H      -2.842616      3.826824      8.462875
  H      -1.154819      3.286414      8.305609
  H      -5.877228      1.690645      7.917869
  H      -5.077448      3.271528      7.830551
  H      -3.763550      0.503776      7.704336
  H      -3.581304      1.707402      9.009332
  C      -2.351271      0.016139      3.631380
  C      -3.253671     -1.230740      3.478648
  C      -4.335735     -1.110855      2.423377
  N      -4.382083     -0.012484      1.689150
  C      -5.371609      0.101977      0.761472
  N      -6.287490     -0.790662      0.464524
  C      -6.269542     -1.940456      1.205852
  C      -7.259436     -2.921277      0.967302
  C      -7.305414     -4.059177      1.744142
  C      -6.350250     -4.274100      2.763472
  C      -5.360001     -3.341364      3.004454
  C      -5.299691     -2.153172      2.236194
  C      -4.101692      5.373711      5.934638
  C      -4.006553      6.581971      4.974989
  C      -4.316279      6.194844      3.557307
  N      -5.604328      6.015119      3.278193
  C      -5.927149      5.623034      2.019741
  N      -5.102720      5.397258      1.016527
  C      -3.771395      5.545585      1.286729
  C      -2.829556      5.199553      0.286722
  C      -1.477769      5.301753      0.542213
  C      -1.015198      5.752221      1.801100
  C      -1.910618      6.069834      2.801751
  C      -3.306346      5.961587      2.574955
  C      -6.470353      1.951977      5.433634
  C      -6.493840      0.723302      4.508650
  C      -7.501554      0.850907      3.395515
  N      -7.389279      1.943955      2.652486
  C      -8.255888      2.099415      1.621713
  N      -9.194319      1.260028      1.234712
  C      -9.313648      0.111979      1.966661
  C     -10.266739     -0.859449      1.572121
  C     -10.396667     -2.030699      2.287306
  C      -9.606316     -2.266033      3.436123
  C      -8.668325     -1.342214      3.841208
  C      -8.487115     -0.140085      3.110955
  H      -2.568138      0.686679      2.792109
  H      -1.290351     -0.277490      3.565021
  H      -3.743954     -1.438479      4.444059
  H      -2.655257     -2.129514      3.259185
  H      -5.390048      1.045871      0.209429
  H      -7.992865     -2.726239      0.185000
  H      -8.104205     -4.786130      1.586786
  H      -6.399936     -5.182734      3.365098
  H      -4.627185     -3.518414      3.792393
  H      -5.096761      4.923754      5.795880
  H      -4.043028      5.753274      6.970101
  H      -4.786581      7.286257      5.300374
  H      -3.034998      7.081208      5.074385
  H      -6.994329      5.460327      1.828749
  H      -3.214241      4.826666     -0.662508
  H      -0.755589      5.034557     -0.230762
  H       0.057158      5.839730      1.980098
  H      -1.541664      6.393349      3.774932
  H      -7.172355      1.797009      6.267874
  H      -6.814987      2.831194      4.867609
  H      -5.507500      0.647276      4.029345
  H      -6.640020     -0.197133      5.085552
  H      -8.143192      3.032346      1.055163
  H     -10.869252     -0.654834      0.686546
  H     -11.099064     -2.798588      1.960206
  H      -9.726993     -3.197656      3.990186
  H      -8.047654     -1.551472      4.712049
  N      -3.993815      2.698160      3.351306
  N      -4.317050      2.788225      2.186941
  H      -3.585137      3.070471      1.508865
89
Coordinates from ORCA-job orca E -6140.437778648633
  N      -2.524564      0.766332      4.878487
  Mo     -3.471901      2.496035      5.106212
  N      -5.158730      2.195623      5.999875
  C      -5.047907      2.193851      7.466485
  C      -3.744723      1.547503      7.920263
  N      -2.588607      2.144008      7.188166
  C      -1.460628      1.193802      7.030003
  C      -1.824228      0.140102      6.000733
  C      -2.117116      3.435860      7.779855
  C      -1.901832      4.429883      6.631920
  N      -3.068368      4.347810      5.760446
  H      -0.899867     -0.348593      5.648415
  H      -2.442010     -0.659971      6.454121
  H      -0.609189      1.777589      6.649954
  H      -1.176073      0.757258      8.002479
  H      -1.771459      5.451729      7.024657
  H      -0.981449      4.180897      6.078941
  H      -2.881969      3.809455      8.473986
  H      -1.191731      3.267013      8.352504
  H      -5.891767      1.641473      7.909916
  H      -5.106862      3.230819      7.846848
  H      -3.767863      0.476203      7.681907
  H      -3.607128      1.659188      9.008418
  C      -2.329592      0.052574      3.608658
  C      -3.230809     -1.195617      3.464247
  C      -4.313827     -1.088685      2.408862
  N      -4.351587     -0.007860      1.648855
  C      -5.342016      0.092351      0.718928
  N      -6.263479     -0.801388      0.441981
  C      -6.250914     -1.936162      1.206604
  C      -7.241201     -2.920497      0.983808
  C      -7.289493     -4.043905      1.781619
  C      -6.338347     -4.239328      2.809143
  C      -5.348137     -3.302464      3.035855
  C      -5.283861     -2.129853      2.243908
  C      -4.079989      5.379177      5.939362
  C      -3.975155      6.581131      4.974108
  C      -4.296596      6.191583      3.559898
  N      -5.587492      6.012410      3.293545
  C      -5.924323      5.626018      2.036117
  N      -5.110054      5.405723      1.023133
  C      -3.775673      5.549282      1.281744
  C      -2.844901      5.206311      0.270922
  C      -1.489583      5.296651      0.516851
  C      -1.013624      5.735273      1.775284
  C      -1.899094      6.055449      2.784716
  C      -3.297126      5.957866      2.568104
  C      -6.482336      1.953626      5.422405
  C      -6.511885      0.720643      4.504678
  C      -7.520748      0.845178      3.391075
  N      -7.408252      1.936202      2.645447
  C      -8.270565      2.086118      1.609354
  N      -9.204978      1.242293      1.220258
  C      -9.328153      0.098942      1.959040
  C     -10.281851     -0.873074      1.567674
  C     -10.420711     -2.036979      2.294145
  C      -9.636734     -2.264373      3.449205
  C      -8.696105     -1.340770      3.849847
  C      -8.506848     -0.145961      3.109503
  H      -2.549114      0.721405      2.768819
  H      -1.268507     -0.239768      3.538302
  H      -3.719419     -1.401498      4.430961
  H      -2.630423     -2.094611      3.249000
  H      -5.353256      1.023214      0.144698
  H      -7.971756     -2.740686      0.194885
  H      -8.085985     -4.775945      1.634748
  H      -6.390212     -5.137141      3.426994
  H      -4.616968     -3.466371      3.828510
  H      -5.078603      4.936165      5.800320
  H      -4.023531      5.761764      6.973822
  H      -4.745105      7.297434      5.297854
  H      -2.997870      7.071238      5.068135
  H      -6.993290      5.463515      1.856996
  H      -3.237803      4.844783     -0.679355
  H      -0.775254      5.028982     -0.263510
  H       0.060958      5.813489      1.946166
  H      -1.520359      6.372780      3.756518
  H      -7.195479      1.812604      6.249738
  H      -6.807094      2.834215      4.847550
  H      -5.526530      0.635071      4.023711
  H      -6.660725     -0.196337      5.087122
  H      -8.157737      3.016927      1.040314
  H     -10.880305     -0.673783      0.677888
  H     -11.126950     -2.803413      1.971314
  H      -9.765241     -3.189562      4.012846
  H      -8.081405     -1.543991      4.726595
  N      -4.009207      2.706050      3.363716
  N      -4.329003      2.787990      2.199717
  H      -3.587001      3.078136      1.529956
89
Coordinates from ORCA-job orca E -6140.440410690619
  N      -2.491008      0.810189      4.853436
  Mo     -3.486463      2.499353      5.114166
  N      -5.170651      2.176228      6.001633
  C      -5.067319      2.152432      7.469105
  C      -3.759002      1.514178      7.915509
  N      -2.606606      2.132467      7.196603
  C      -1.468607      1.195205      7.031181
  C      -1.809267      0.161360      5.975560
  C      -2.151670      3.422002      7.803677
  C      -1.907603      4.417527      6.664371
  N      -3.056628      4.344210      5.769107
  H      -0.876222     -0.314811      5.628782
  H      -2.431051     -0.651860      6.398622
  H      -0.617112      1.793044      6.674055
  H      -1.191212      0.739462      7.996843
  H      -1.776580      5.437145      7.062317
  H      -0.978776      4.162722      6.128508
  H      -2.935580      3.792819      8.477852
  H      -1.241334      3.253282      8.400480
  H      -5.905213      1.582803      7.902049
  H      -5.140987      3.182804      7.864488
  H      -3.770001      0.446429      7.660165
  H      -3.628372      1.608700      9.006338
  C      -2.309238      0.095212      3.581994
  C      -3.202376     -1.158729      3.445827
  C      -4.290930     -1.060046      2.395171
  N      -4.324163      0.009615      1.618823
  C      -5.318736      0.103076      0.691979
  N      -6.248032     -0.788059      0.433046
  C      -6.236778     -1.913579      1.211463
  C      -7.229070     -2.898702      1.000979
  C      -7.275052     -4.015238      1.808507
  C      -6.322247     -4.200705      2.836630
  C      -5.331444     -3.262019      3.052858
  C      -5.267027     -2.098119      2.248193
  C      -4.069633      5.377771      5.934211
  C      -3.952373      6.572840      4.962326
  C      -4.275181      6.179274      3.549032
  N      -5.566094      5.999510      3.283698
  C      -5.903690      5.617385      2.024382
  N      -5.090265      5.403236      1.008599
  C      -3.755864      5.544333      1.267614
  C      -2.824623      5.208476      0.253852
  C      -1.468868      5.291836      0.502696
  C      -0.993403      5.718559      1.765319
  C      -1.879071      6.037046      2.775288
  C      -3.277150      5.946254      2.556495
  C      -6.494588      1.948721      5.417624
  C      -6.533343      0.713438      4.504105
  C      -7.547948      0.836399      3.395317
  N      -7.442661      1.927373      2.648574
  C      -8.304966      2.069407      1.610919
  N      -9.234447      1.219128      1.222778
  C      -9.354722      0.079725      1.967119
  C     -10.308856     -0.894640      1.583162
  C     -10.449928     -2.052193      2.319622
  C      -9.664862     -2.272191      3.475312
  C      -8.721623     -1.347273      3.867481
  C      -8.532300     -0.157653      3.118675
  H      -2.539810      0.763543      2.744913
  H      -1.247290     -0.190560      3.500415
  H      -3.682632     -1.369695      4.415420
  H      -2.596970     -2.053620      3.226607
  H      -5.327858      1.026013      0.105160
  H      -7.961036     -2.726656      0.211583
  H      -8.069490     -4.750771      1.668528
  H      -6.372860     -5.092995      3.462503
  H      -4.598258     -3.419833      3.844917
  H      -5.068895      4.937629      5.788438
  H      -4.022458      5.765091      6.967140
  H      -4.715028      7.299567      5.279727
  H      -2.970260      7.053521      5.055573
  H      -6.972333      5.456768      1.845177
  H      -3.216010      4.859105     -0.701884
  H      -0.754430      5.027864     -0.278742
  H       0.081198      5.790876      1.938578
  H      -1.500634      6.348278      3.749070
  H      -7.216250      1.819641      6.239452
  H      -6.802447      2.830822      4.836228
  H      -5.550469      0.623912      4.017988
  H      -6.681321     -0.200907      5.090914
  H      -8.196538      2.998285      1.039209
  H     -10.908807     -0.700686      0.693227
  H     -11.160955     -2.817596      2.005019
  H      -9.795511     -3.191883      4.047476
  H      -8.107178     -1.544264      4.745748
  N      -4.027841      2.714946      3.373270
  N      -4.348422      2.790778      2.208698
  H      -3.605579      3.090080      1.542932
89
Coordinates from ORCA-job orca E -6140.442794634954
  N      -2.455442      0.846840      4.835953
  Mo     -3.499177      2.496965      5.120064
  N      -5.178344      2.150487      6.009691
  C      -5.084261      2.108652      7.477195
  C      -3.769296      1.480958      7.917292
  N      -2.624367      2.119839      7.204945
  C      -1.475126      1.196460      7.036433
  C      -1.792782      0.179145      5.959133
  C      -2.186829      3.408393      7.823640
  C      -1.915110      4.404019      6.691529
  N      -3.045701      4.334709      5.772250
  H      -0.851494     -0.286061      5.619500
  H      -2.418472     -0.644197      6.355176
  H      -0.624186      1.807027      6.700692
  H      -1.205170      0.724786      7.996442
  H      -1.786614      5.422174      7.093289
  H      -0.977906      4.143936      6.173259
  H      -2.990314      3.778458      8.474792
  H      -1.292725      3.241887      8.445450
  H      -5.915597      1.522417      7.900440
  H      -5.173445      3.132864      7.885451
  H      -3.769573      0.416047      7.649282
  H      -3.640787      1.562215      9.009570
  C      -2.281836      0.129439      3.564006
  C      -3.173737     -1.125554      3.432238
  C      -4.262375     -1.033105      2.380493
  N      -4.283400      0.022417      1.584323
  C      -5.277002      0.109219      0.655526
  N      -6.215817     -0.776876      0.412279
  C      -6.213832     -1.889674      1.208700
  C      -7.211379     -2.872268      1.010059
  C      -7.264130     -3.977866      1.832138
  C      -6.314949     -4.152996      2.865722
  C      -5.320532     -3.216064      3.071734
  C      -5.247301     -2.064491      2.250132
  C      -4.060967      5.370060      5.925400
  C      -3.931987      6.562965      4.951728
  C      -4.258438      6.172081      3.538658
  N      -5.550719      5.996658      3.276699
  C      -5.893268      5.624432      2.015598
  N      -5.083303      5.415797      0.995109
  C      -3.747828      5.550090      1.251827
  C      -2.820060      5.218067      0.233182
  C      -1.463238      5.291628      0.479911
  C      -0.983271      5.705001      1.745233
  C      -1.865093      6.021808      2.759024
  C      -3.264287      5.941084      2.542427
  C      -6.501697      1.936957      5.417555
  C      -6.549793      0.697187      4.509928
  C      -7.565608      0.820964      3.402796
  N      -7.457832      1.909476      2.652403
  C      -8.315022      2.047024      1.609860
  N      -9.244263      1.195804      1.221722
  C      -9.371910      0.062723      1.973756
  C     -10.331639     -0.908700      1.595981
  C     -10.484530     -2.057608      2.343538
  C      -9.703698     -2.273301      3.502946
  C      -8.753186     -1.352500      3.888115
  C      -8.553570     -0.170637      3.129394
  H      -2.515334      0.798577      2.728591
  H      -1.220076     -0.155430      3.476411
  H      -3.651961     -1.336193      4.402713
  H      -2.566383     -2.019202      3.212864
  H      -5.277581      1.021030      0.051491
  H      -7.940471     -2.708145      0.216234
  H      -8.059689     -4.713325      1.698621
  H      -6.371122     -5.036416      3.503682
  H      -4.589914     -3.367007      3.867593
  H      -5.060951      4.933407      5.772068
  H      -4.021627      5.759367      6.957579
  H      -4.686274      7.299422      5.266508
  H      -2.944094      7.031352      5.045402
  H      -6.962543      5.466623      1.838142
  H      -3.215496      4.880326     -0.724846
  H      -0.752096      5.029679     -0.305199
  H       0.092061      5.768429      1.917851
  H      -1.483052      6.323615      3.734295
  H      -7.234094      1.823321      6.232001
  H      -6.790535      2.818780      4.826278
  H      -5.567893      0.602543      4.022238
  H      -6.701052     -0.212775      5.102393
  H      -8.201877      2.972163      1.033184
  H     -10.928680     -0.717923      0.703341
  H     -11.203797     -2.818234      2.036000
  H      -9.844055     -3.185633      4.084639
  H      -8.142851     -1.545694      4.770072
  N      -4.049860      2.714122      3.381107
  N      -4.377693      2.781919      2.218027
  H      -3.641984      3.088462      1.546918
89
Coordinates from ORCA-job orca E -6140.444906855319
  N      -2.416234      0.890840      4.812892
  Mo     -3.513199      2.497984      5.119737
  N      -5.188270      2.118034      6.009800
  C      -5.106075      2.051504      7.476388
  C      -3.782501      1.438476      7.911021
  N      -2.648303      2.105228      7.208322
  C      -1.482312      1.202577      7.036872
  C      -1.770246      0.203878      5.934456
  C      -2.235287      3.392514      7.843821
  C      -1.934572      4.392023      6.722680
  N      -3.042417      4.326189      5.775181
  H      -0.819047     -0.245975      5.601602
  H      -2.396501     -0.632129      6.301121
  H      -0.635291      1.831394      6.726829
  H      -1.219553      0.713939      7.990204
  H      -1.814062      5.408368      7.130594
  H      -0.986814      4.130724      6.224998
  H      -3.061496      3.757971      8.468566
  H      -1.360555      3.228901      8.493509
  H      -5.929523      1.443502      7.884023
  H      -5.216617      3.066360      7.902473
  H      -3.767159      0.377648      7.627029
  H      -3.655377      1.503694      9.004511
  C      -2.253224      0.176835      3.537625
  C      -3.139424     -1.082045      3.410451
  C      -4.235206     -0.993338      2.365462
  N      -4.252100      0.051412      1.554599
  C      -5.252380      0.134414      0.633220
  N      -6.202036     -0.745710      0.410170
  C      -6.201075     -1.849300      1.218994
  C      -7.204345     -2.829495      1.036420
  C      -7.254615     -3.928479      1.867377
  C      -6.299443     -4.097289      2.896565
  C      -5.301179     -3.161865      3.088166
  C      -5.228126     -2.018593      2.254942
  C      -4.062556      5.360467      5.909287
  C      -3.914876      6.548595      4.932685
  C      -4.230695      6.154732      3.517781
  N      -5.520867      5.976632      3.247563
  C      -5.854179      5.606742      1.983737
  N      -5.037727      5.405020      0.966592
  C      -3.704223      5.541332      1.231833
  C      -2.768976      5.222512      0.215194
  C      -1.414304      5.296724      0.471017
  C      -0.943370      5.699068      1.743215
  C      -1.831797      6.007595      2.753393
  C      -3.229643      5.926963      2.527495
  C      -6.511395      1.917485      5.410487
  C      -6.570635      0.676472      4.503405
  C      -7.598805      0.800232      3.407893
  N      -7.505179      1.891384      2.659223
  C      -8.370815      2.024562      1.623424
  N      -9.298620      1.168927      1.241815
  C      -9.416906      0.036899      1.996194
  C     -10.381552     -0.934775      1.631477
  C     -10.529984     -2.079903      2.385214
  C      -9.736779     -2.293732      3.536534
  C      -8.779664     -1.373838      3.907685
  C      -8.586890     -0.194119      3.143838
  H      -2.496290      0.848633      2.707100
  H      -1.190814     -0.102043      3.439383
  H      -3.609033     -1.297547      4.383789
  H      -2.528674     -1.971583      3.183993
  H      -5.251069      1.037533      0.016309
  H      -7.937688     -2.670377      0.245553
  H      -8.051037     -4.664339      1.743061
  H      -6.353885     -4.975049      3.542355
  H      -4.565735     -3.308794      3.880222
  H      -5.060511      4.924390      5.740779
  H      -4.040509      5.752796      6.940588
  H      -4.665359      7.293254      5.236887
  H      -2.923174      7.006830      5.034065
  H      -6.921714      5.447266      1.798296
  H      -3.158359      4.897007     -0.749770
  H      -0.698007      5.044247     -0.312407
  H       0.130624      5.762363      1.923793
  H      -1.456323      6.303780      3.732820
  H      -7.250444      1.814027      6.220233
  H      -6.787021      2.800419      4.814960
  H      -5.593651      0.583092      4.005512
  H      -6.716102     -0.232438      5.098640
  H      -8.266829      2.950122      1.045767
  H     -10.988530     -0.745223      0.745339
  H     -11.257535     -2.837637      2.090418
  H      -9.874028     -3.202629      4.124177
  H      -8.160993     -1.564586      4.784280
  N      -4.063142      2.726530      3.383853
  N      -4.395821      2.795855      2.221732
  H      -3.668531      3.112342      1.548478
89
Coordinates from ORCA-job orca E -6140.446713716508
  N      -2.385754      0.920133      4.803630
  Mo     -3.527689      2.491912      5.123684
  N      -5.194552      2.087178      6.026094
  C      -5.119229      2.003537      7.491074
  C      -3.786796      1.405170      7.918693
  N      -2.666027      2.092351      7.215052
  C      -1.486038      1.207669      7.042462
  C      -1.752417      0.221031      5.924447
  C      -2.271619      3.381145      7.856801
  C      -1.946049      4.377192      6.739666
  N      -3.035981      4.312783      5.770901
  H      -0.794413     -0.218460      5.597099
  H      -2.378826     -0.622675      6.272039
  H      -0.643753      1.850594      6.749968
  H      -1.227141      0.708601      7.991252
  H      -1.830927      5.393857      7.147660
  H      -0.991018      4.111132      6.259057
  H      -3.115799      3.748197      8.456026
  H      -1.414452      3.222320      8.530831
  H      -5.934843      1.378146      7.887997
  H      -5.247236      3.010677      7.930532
  H      -3.759616      0.346831      7.625865
  H      -3.654153      1.462089      9.011913
  C      -2.231055      0.204714      3.528018
  C      -3.115819     -1.055348      3.401985
  C      -4.207761     -0.971290      2.352837
  N      -4.209895      0.059933      1.524303
  C      -5.205855      0.137339      0.598540
  N      -6.164494     -0.736089      0.386819
  C      -6.175523     -1.828113      1.210787
  C      -7.184139     -2.804471      1.036035
  C      -7.243883     -3.893454      1.879284
  C      -6.294404     -4.054733      2.914920
  C      -5.292406     -3.122396      3.100225
  C      -5.208279     -1.989940      2.253070
  C      -4.059112      5.347253      5.893317
  C      -3.896187      6.537453      4.921568
  C      -4.215463      6.153254      3.505076
  N      -5.507548      5.985847      3.235978
  C      -5.845978      5.628926      1.970655
  N      -5.032961      5.430799      0.949905
  C      -3.697787      5.555729      1.213435
  C      -2.767069      5.238387      0.192431
  C      -1.411705      5.301089      0.445457
  C      -0.935139      5.688975      1.719987
  C      -1.818778      5.995348      2.734733
  C      -3.217658      5.927146      2.511282
  C      -6.516934      1.903478      5.420229
  C      -6.585447      0.657585      4.520665
  C      -7.611453      0.784384      3.424230
  N      -7.505926      1.870049      2.668819
  C      -8.360697      2.000012      1.624256
  N      -9.289981      1.146994      1.240881
  C      -9.424308      0.023370      2.005074
  C     -10.395020     -0.943001      1.642244
  C     -10.562037     -2.077893      2.407220
  C      -9.780664     -2.287314      3.567396
  C      -8.816501     -1.373710      3.935844
  C      -8.605684     -0.204194      3.161429
  H      -2.475236      0.877782      2.698802
  H      -1.168693     -0.073077      3.425963
  H      -3.586905     -1.270481      4.374377
  H      -2.502386     -1.943289      3.176510
  H      -5.194262      1.029672     -0.033900
  H      -7.912811     -2.651256      0.239702
  H      -8.042476     -4.627423      1.758865
  H      -6.356462     -4.924215      3.571076
  H      -4.561593     -3.263927      3.897411
  H      -5.056468      4.914031      5.713153
  H      -4.048301      5.737131      6.925546
  H      -4.636974      7.291150      5.227122
  H      -2.898133      6.980700      5.026223
  H      -6.914824      5.477015      1.785843
  H      -3.162354      4.923657     -0.773476
  H      -0.699268      5.049905     -0.341822
  H       0.139574      5.741611      1.899394
  H      -1.438857      6.279653      3.715967
  H      -7.265786      1.818219      6.223184
  H      -6.773404      2.784759      4.814213
  H      -5.608643      0.557029      4.023397
  H      -6.736606     -0.246906      5.121116
  H      -8.244868      2.919495      1.039146
  H     -10.992826     -0.756583      0.749270
  H     -11.296812     -2.829862      2.115841
  H      -9.932841     -3.187621      4.164430
  H      -8.206616     -1.561284      4.819244
  N      -4.093896      2.719173      3.390735
  N      -4.445205      2.781619      2.233361
  H      -3.733375      3.100206      1.545435
89
Coordinates from ORCA-job orca E -6140.448235760464
  N      -2.351640      0.957758      4.786993
  Mo     -3.541059      2.490312      5.122564
  N      -5.202966      2.050346      6.025640
  C      -5.137725      1.940144      7.488447
  C      -3.796071      1.360307      7.911935
  N      -2.688842      2.076165      7.216753
  C      -1.489772      1.216691      7.042389
  C      -1.727245      0.245908      5.904261
  C      -2.322089      3.365509      7.872701
  C      -1.969414      4.363170      6.765904
  N      -3.036429      4.302623      5.771110
  H      -0.760230     -0.177545      5.582018
  H      -2.349485     -0.609666      6.229266
  H      -0.655715      1.879602      6.772721
  H      -1.234278      0.704896      7.985154
  H      -1.864268      5.379324      7.177695
  H      -1.004414      4.096958      6.306114
  H      -3.187875      3.728264      8.443029
  H      -1.486711      3.211528      8.574958
  H      -5.944056      1.290950      7.865898
  H      -5.290406      2.935223      7.947388
  H      -3.749894      0.306528      7.604883
  H      -3.662539      1.404779      9.005560
  C      -2.205388      0.246487      3.508251
  C      -3.085701     -1.016901      3.383527
  C      -4.182683     -0.937353      2.339428
  N      -4.181465      0.082206      1.496429
  C      -5.183112      0.154252      0.576728
  N      -6.151457     -0.713170      0.384753
  C      -6.164111     -1.795078      1.221694
  C      -7.179298     -2.767942      1.064874
  C      -7.236656     -3.849133      1.918207
  C      -6.280368     -4.004294      2.948571
  C      -5.273536     -3.074330      3.117852
  C      -5.189894     -1.951003      2.258291
  C      -4.063144      5.337036      5.873437
  C      -3.877171      6.526003      4.905020
  C      -4.185916      6.144746      3.485308
  N      -5.476343      5.979531      3.207155
  C      -5.807038      5.625618      1.939518
  N      -4.987795      5.430656      0.923087
  C      -3.654043      5.554906      1.194817
  C      -2.717610      5.249165      0.175751
  C      -1.364062      5.312466      0.436411
  C      -0.894771      5.689799      1.716916
  C      -1.783991      5.987727      2.729236
  C      -3.181530      5.920285      2.497463
  C      -6.524509      1.884113      5.411641
  C      -6.603671      0.637989      4.512669
  C      -7.642715      0.764300      3.427996
  N      -7.549962      1.852500      2.674731
  C      -8.414013      1.980495      1.637762
  N      -9.343086      1.124409      1.261209
  C      -9.468533      0.000705      2.026986
  C     -10.444431     -0.964809      1.675840
  C     -10.606382     -2.097371      2.445217
  C      -9.812338     -2.306543      3.596959
  C      -8.842104     -1.394359      3.952973
  C      -8.637926     -0.226158      3.174904
  H      -2.455393      0.922263      2.682983
  H      -1.142273     -0.026426      3.398877
  H      -3.551299     -1.236985      4.357239
  H      -2.468548     -1.900904      3.152701
  H      -5.168304      1.036352     -0.070014
  H      -7.912551     -2.619993      0.271703
  H      -8.036930     -4.582840      1.808648
  H      -6.340914     -4.867365      3.613305
  H      -4.537633     -3.211390      3.911132
  H      -5.057522      4.905240      5.673452
  H      -4.073820      5.725162      6.906315
  H      -4.612341      7.288368      5.202818
  H      -2.874976      6.956793      5.020438
  H      -6.874849      5.474144      1.747855
  H      -3.108113      4.945131     -0.795597
  H      -0.646980      5.070335     -0.349528
  H       0.178904      5.742040      1.902655
  H      -1.409477      6.265827      3.714342
  H      -7.280088      1.810791      6.209683
  H      -6.766277      2.766975      4.802357
  H      -5.632459      0.538169      4.003856
  H      -6.747441     -0.266856      5.114499
  H      -8.307130      2.901124      1.052428
  H     -11.052191     -0.778093      0.789638
  H     -11.348942     -2.846174      2.165460
  H      -9.961088     -3.204551      4.198314
  H      -8.223585     -1.581023      4.830613
  N      -4.108161      2.728858      3.392416
  N      -4.469853      2.795325      2.238524
  H      -3.765080      3.117391      1.545702
89
Coordinates from ORCA-job orca E -6140.449512153117
  N      -2.326400      0.987716      4.776433
  Mo     -3.555209      2.486379      5.125348
  N      -5.210155      2.015871      6.031880
  C      -5.150560      1.881497      7.491981
  C      -3.799443      1.321154      7.909801
  N      -2.706867      2.062766      7.219595
  C      -1.490479      1.227603      7.042605
  C      -1.704500      0.268516      5.889923
  C      -2.366235      3.354300      7.884572
  C      -1.990819      4.351106      6.785483
  N      -3.038653      4.292905      5.769870
  H      -0.730002     -0.139920      5.570720
  H      -2.319830     -0.597987      6.198739
  H      -0.665895      1.908272      6.789570
  H      -1.234356      0.706915      7.980199
  H      -1.893912      5.367597      7.198374
  H      -1.017891      4.084245      6.343452
  H      -3.251032      3.713566      8.427268
  H      -1.551491      3.206958      8.612405
  H      -5.945982      1.209085      7.851911
  H      -5.327170      2.864219      7.968752
  H      -3.734602      0.271667      7.591406
  H      -3.663427      1.356960      9.003354
  C      -2.185999      0.279793      3.495201
  C      -3.059456     -0.988231      3.371005
  C      -4.157890     -0.914770      2.328541
  N      -4.152874      0.095109      1.473913
  C      -5.156718      0.161431      0.556140
  N      -6.132275     -0.700900      0.378851
  C      -6.147808     -1.774153      1.226724
  C      -7.168582     -2.743352      1.083487
  C      -7.225019     -3.818337      1.944645
  C      -6.263942     -3.969508      2.971121
  C      -5.253142     -3.041864      3.128793
  C      -5.169254     -1.925503      2.260052
  C      -4.066675      5.328565      5.854239
  C      -3.856666      6.517651      4.891522
  C      -4.161679      6.144303      3.468567
  N      -5.452289      5.992569      3.184105
  C      -5.781120      5.646393      1.914084
  N      -4.959579      5.449480      0.899786
  C      -3.625777      5.562439      1.176682
  C      -2.688262      5.261361      0.157401
  C      -1.335320      5.315874      0.422540
  C      -0.867737      5.679068      1.707768
  C      -1.758110      5.973693      2.720114
  C      -3.155188      5.916496      2.483526
  C      -6.531896      1.869383      5.412970
  C      -6.623124      0.622303      4.517564
  C      -7.669255      0.750986      3.439669
  N      -7.578095      1.838950      2.685924
  C      -8.443365      1.966077      1.649880
  N      -9.372637      1.109532      1.275164
  C      -9.498839     -0.012314      2.043771
  C     -10.477594     -0.976116      1.696321
  C     -10.641838     -2.105997      2.469214
  C      -9.845965     -2.314538      3.619848
  C      -8.872443     -1.404193      3.971700
  C      -8.666697     -0.238327      3.190723
  H      -2.441259      0.957012      2.672665
  H      -1.121983      0.012398      3.380167
  H      -3.521964     -1.213467      4.344794
  H      -2.436636     -1.867555      3.137306
  H      -5.137715      1.034549     -0.102669
  H      -7.904987     -2.598999      0.292536
  H      -8.026981     -4.551349      1.843623
  H      -6.324141     -4.827549      3.642340
  H      -4.514047     -3.175907      3.919544
  H      -5.058494      4.899824      5.634862
  H      -4.097514      5.713391      6.887958
  H      -4.581512      7.290992      5.186318
  H      -2.848581      6.931943      5.015182
  H      -6.849544      5.505870      1.717940
  H      -3.077742      4.969895     -0.818347
  H      -0.616940      5.077980     -0.363499
  H       0.205657      5.723483      1.896981
  H      -1.384720      6.242013      3.708348
  H      -7.293602      1.811646      6.206753
  H      -6.756976      2.752986      4.798843
  H      -5.656223      0.518315      4.001122
  H      -6.764931     -0.281834      5.121175
  H      -8.336967      2.885520      1.062842
  H     -11.086640     -0.789571      0.810998
  H     -11.389208     -2.851720      2.194178
  H      -9.996780     -3.210218      4.224167
  H      -8.252637     -1.590377      4.848563
  N      -4.131779      2.731807      3.398896
  N      -4.510228      2.800431      2.250125
  H      -3.812086      3.118163      1.548900
89
Coordinates from ORCA-job orca E -6140.450611849599
  N      -2.301721      1.019020      4.763224
  Mo     -3.569515      2.482200      5.126912
  N      -5.216388      1.977000      6.033896
  C      -5.160719      1.815278      7.490766
  C      -3.798660      1.278969      7.902233
  N      -2.722870      2.050297      7.219079
  C      -1.487719      1.243086      7.038727
  C      -1.676958      0.295511      5.872188
  C      -2.413612      3.344518      7.893591
  C      -2.020054      4.343978      6.804490
  N      -3.048551      4.285558      5.768748
  H      -0.694083     -0.094131      5.555041
  H      -2.280888     -0.584381      6.165423
  H      -0.674914      1.942899      6.801277
  H      -1.228042      0.714426      7.970812
  H      -1.934742      5.360505      7.219810
  H      -1.038528      4.081361      6.379513
  H      -3.318376      3.695225      8.408295
  H      -1.619891      3.205855      8.646335
  H      -5.941413      1.115642      7.831131
  H      -5.365474      2.782579      7.987544
  H      -3.711006      0.234993      7.571240
  H      -3.661444      1.305603      8.995875
  C      -2.163488      0.316377      3.478754
  C      -3.029919     -0.956264      3.354383
  C      -4.131202     -0.888057      2.314833
  N      -4.123258      0.112191      1.449032
  C      -5.131050      0.173816      0.534620
  N      -6.115714     -0.681406      0.374626
  C      -6.134240     -1.745161      1.234341
  C      -7.163267     -2.708134      1.108111
  C      -7.218455     -3.776643      1.977441
  C      -6.249871     -3.925826      2.997183
  C      -5.232571     -3.002784      3.139987
  C      -5.148629     -1.893970      2.261527
  C      -4.077409      5.322784      5.832386
  C      -3.840421      6.512006      4.876296
  C      -4.136324      6.146800      3.448928
  N      -5.425834      6.008408      3.153819
  C      -5.748051      5.666437      1.880811
  N      -4.920221      5.463316      0.872737
  C      -3.587615      5.565927      1.159533
  C      -2.645078      5.265667      0.144816
  C      -1.293760      5.311409      0.419647
  C      -0.832902      5.663945      1.710342
  C      -1.728392      5.958942      2.718188
  C      -3.124056      5.912449      2.471253
  C      -6.538960      1.847768      5.412004
  C      -6.643440      0.599406      4.520928
  C      -7.698358      0.730855      3.451494
  N      -7.610571      1.819864      2.698893
  C      -8.480548      1.948623      1.666759
  N      -9.411843      1.092674      1.295393
  C      -9.536269     -0.029050      2.064823
  C     -10.519582     -0.990019      1.722625
  C     -10.683487     -2.118998      2.497102
  C      -9.881330     -2.329942      3.643047
  C      -8.903344     -1.422178      3.989580
  C      -8.698799     -0.256766      3.207651
  H      -2.424472      0.995319      2.659416
  H      -1.098333      0.055369      3.358477
  H      -3.488656     -1.186904      4.328592
  H      -2.401933     -1.831122      3.117342
  H      -5.107171      1.037223     -0.136843
  H      -7.905022     -2.565724      0.321702
  H      -8.023861     -4.507360      1.887654
  H      -6.309419     -4.778760      3.675024
  H      -4.488021     -3.135568      3.925862
  H      -5.065420      4.897081      5.590094
  H      -4.131849      5.704344      6.866392
  H      -4.555626      7.296392      5.165527
  H      -2.827194      6.909626      5.011792
  H      -6.816301      5.535708      1.676954
  H      -3.029129      4.983842     -0.835945
  H      -0.570921      5.074823     -0.362773
  H       0.239501      5.700319      1.907061
  H      -1.360006      6.219926      3.710293
  H      -7.304936      1.805488      6.202888
  H      -6.748971      2.731578      4.793338
  H      -5.682163      0.490379      3.994939
  H      -6.782189     -0.303989      5.126612
  H      -8.376159      2.868290      1.079652
  H     -11.133404     -0.801354      0.841010
  H     -11.437168     -2.860588      2.227930
  H     -10.032097     -3.224807      4.248711
  H      -8.279419     -1.609792      4.863309
  N      -4.156856      2.735571      3.405884
  N      -4.553460      2.808463      2.263223
  H      -3.860706      3.120183      1.553641
89
Coordinates from ORCA-job orca E -6140.451567810209
  N      -2.285237      1.050503      4.746108
  Mo     -3.586218      2.480851      5.126355
  N      -5.222830      1.942176      6.035883
  C      -5.166576      1.751301      7.488694
  C      -3.792567      1.240218      7.890534
  N      -2.735823      2.041818      7.213427
  C      -1.483153      1.263086      7.027298
  C      -1.650947      0.326005      5.848930
  C      -2.458294      3.338132      7.896807
  C      -2.054212      4.344161      6.818810
  N      -3.066042      4.282800      5.766457
  H      -0.660443     -0.043042      5.530808
  H      -2.239955     -0.568008      6.129550
  H      -0.683167      1.981069      6.801880
  H      -1.216260      0.727637      7.953394
  H      -1.982547      5.359872      7.238412
  H      -1.064679      4.090569      6.407295
  H      -3.381256      3.676468      8.386995
  H      -1.682859      3.208577      8.670176
  H      -5.929710      1.023743      7.810604
  H      -5.398831      2.701069      8.006790
  H      -3.682298      0.202711      7.546237
  H      -3.652537      1.257252      8.983989
  C      -2.149688      0.353804      3.458255
  C      -3.006698     -0.925272      3.335067
  C      -4.112374     -0.863801      2.299964
  N      -4.105003      0.128344      1.424787
  C      -5.116857      0.183313      0.513905
  N      -6.107503     -0.667487      0.369666
  C      -6.125598     -1.722894      1.239645
  C      -7.159633     -2.682446      1.128719
  C      -7.210229     -3.746115      2.004272
  C      -6.233400     -3.892373      3.016488
  C      -5.212602     -2.971179      3.145957
  C      -5.132564     -1.867769      2.260353
  C      -4.094712      5.321424      5.809239
  C      -3.828373      6.510948      4.861203
  C      -4.109512      6.153008      3.428670
  N      -5.396517      6.030654      3.116791
  C      -5.706251      5.691268      1.839864
  N      -4.867739      5.477875      0.842661
  C      -3.537775      5.567884      1.145719
  C      -2.585578      5.264655      0.140971
  C      -1.237423      5.299294      0.432356
  C      -0.789502      5.642786      1.729987
  C      -1.694588      5.942102      2.727952
  C      -3.087391      5.908423      2.463796
  C      -6.547855      1.827876      5.416087
  C      -6.666157      0.577806      4.530273
  C      -7.730201      0.712417      3.470113
  N      -7.647398      1.803843      2.720358
  C      -8.522921      1.934997      1.693214
  N      -9.455425      1.079329      1.324257
  C      -9.575530     -0.044158      2.091861
  C     -10.560509     -1.004228      1.752407
  C     -10.720056     -2.135317      2.524820
  C      -9.910983     -2.349568      3.665264
  C      -8.931541     -1.442267      4.009133
  C      -8.731881     -0.274535      3.229581
  H      -2.419959      1.034088      2.642961
  H      -1.083361      0.101325      3.330555
  H      -3.459317     -1.162140      4.310500
  H      -2.372493     -1.794462      3.093500
  H      -5.090578      1.037628     -0.169083
  H      -7.907409     -2.542570      0.347571
  H      -8.017065     -4.476402      1.924963
  H      -6.289375     -4.741610      3.699219
  H      -4.461956     -3.102118      3.926252
  H      -5.077538      4.898930      5.541173
  H      -4.174552      5.699938      6.842710
  H      -4.534685      7.306044      5.142661
  H      -2.810820      6.891675      5.011843
  H      -6.773304      5.573148      1.622923
  H      -2.959046      4.991681     -0.846500
  H      -0.506691      5.061092     -0.342163
  H       0.280720      5.669493      1.939569
  H      -1.335945      6.197223      3.725108
  H      -7.315181      1.800196      6.206496
  H      -6.745730      2.710974      4.792977
  H      -5.710763      0.463901      3.994369
  H      -6.801423     -0.324537      5.138449
  H      -8.421785      2.855928      1.107749
  H     -11.179606     -0.812928      0.875107
  H     -11.477039     -2.874644      2.258902
  H     -10.058333     -3.246164      4.269209
  H      -8.302527     -1.632083      4.878713
  N      -4.188943      2.743319      3.411101
  N      -4.606670      2.822579      2.275744
  H      -3.919402      3.123304      1.556141
89
Coordinates from ORCA-job orca E -6140.452417357701
  N      -2.274970      1.083662      4.724511
  Mo     -3.604973      2.482571      5.123092
  N      -5.229487      1.912246      6.036642
  C      -5.168413      1.691430      7.484718
  C      -3.782030      1.206305      7.874598
  N      -2.746087      2.038358      7.202748
  C      -1.476901      1.288660      7.008805
  C      -1.625746      0.361199      5.820122
  C      -2.500198      3.336235      7.894729
  C      -2.093094      4.352119      6.828099
  N      -3.090704      4.285346      5.761826
  H      -0.628211      0.014768      5.498386
  H      -2.196757     -0.547546      6.090451
  H      -0.690909      2.024507      6.792621
  H      -1.199637      0.747855      7.928709
  H      -2.037488      5.366320      7.253509
  H      -1.095807      4.112187      6.427117
  H      -3.439315      3.658814      8.364806
  H      -1.739646      3.215848      8.684326
  H      -5.912073      0.936469      7.789526
  H      -5.426473      2.622307      8.024402
  H      -3.649713      0.176026      7.516579
  H      -3.637526      1.213481      8.967606
  C      -2.142796      0.392774      3.433387
  C      -2.991954     -0.891805      3.311230
  C      -4.103941     -0.835054      2.282541
  N      -4.100495      0.152146      1.401685
  C      -5.117040      0.201040      0.495086
  N      -6.111460     -0.647364      0.364079
  C      -6.125887     -1.697218      1.240892
  C      -7.161696     -2.656313      1.141830
  C      -7.204138     -3.718550      2.019631
  C      -6.218735     -3.862253      3.023900
  C      -5.197475     -2.940192      3.143195
  C      -5.124841     -1.838868      2.254300
  C      -4.118405      5.325523      5.783226
  C      -3.821646      6.515784      4.844661
  C      -4.079842      6.162437      3.406560
  N      -5.361997      6.054673      3.070954
  C      -5.651511      5.712435      1.789841
  N      -4.796549      5.484195      0.809805
  C      -3.471446      5.563200      1.136676
  C      -2.503673      5.251654      0.149492
  C      -1.160911      5.276026      0.465451
  C      -0.733908      5.616649      1.770947
  C      -1.654426      5.925275      2.751791
  C      -3.042340      5.903671      2.461884
  C      -6.558110      1.809030      5.422348
  C      -6.689924      0.555782      4.543577
  C      -7.764692      0.691284      3.494117
  N      -7.691573      1.786463      2.748693
  C      -8.574745      1.918866      1.728236
  N      -9.506941      1.061370      1.362364
  C      -9.617699     -0.065595      2.126446
  C     -10.602397     -1.027266      1.790639
  C     -10.752238     -2.162273      2.559339
  C      -9.932625     -2.379549      3.691754
  C      -8.953702     -1.470262      4.032194
  C      -8.764750     -0.297972      3.256859
  H      -2.423054      1.074716      2.622835
  H      -1.075623      0.148373      3.297248
  H      -3.436864     -1.135568      4.288450
  H      -2.352809     -1.755502      3.062798
  H      -5.091249      1.048910     -0.196052
  H      -7.915851     -2.518685      0.366355
  H      -8.009786     -4.450907      1.947949
  H      -6.268096     -4.710634      3.708268
  H      -4.439998     -3.069880      3.917101
  H      -5.094387      4.905996      5.487117
  H      -4.225410      5.701014      6.815359
  H      -4.521953      7.320004      5.114795
  H      -2.801793      6.881794      5.014903
  H      -6.715778      5.604314      1.554161
  H      -2.860281      4.982545     -0.845303
  H      -0.417881      5.031970     -0.295469
  H       0.332583      5.634429      1.999846
  H      -1.311850      6.179230      3.754889
  H      -7.324248      1.795127      6.214385
  H      -6.747036      2.689906      4.793917
  H      -5.740881      0.437560      3.996890
  H      -6.819806     -0.344799      5.155636
  H      -8.480320      2.842476      1.145583
  H     -11.229608     -0.833759      0.919575
  H     -11.510879     -2.901318      2.297154
  H     -10.072177     -3.279516      4.292618
  H      -8.316908     -1.661787      4.895769
  N      -4.226368      2.751645      3.416509
  N      -4.667056      2.836341      2.289934
  H      -3.987157      3.121511      1.557046
89
Coordinates from ORCA-job orca E -6140.453200249326
  N      -2.275920      1.115999      4.695025
  Mo     -3.626119      2.489952      5.113298
  N      -5.236925      1.893247      6.035071
  C      -5.166318      1.644322      7.477713
  C      -3.768101      1.181860      7.852397
  N      -2.753112      2.040829      7.183174
  C      -1.470647      1.317476      6.977980
  C      -1.606971      0.397928      5.781504
  C      -2.533767      3.338508      7.883676
  C      -2.132373      4.367292      6.828171
  N      -3.120850      4.293765      5.753359
  H      -0.604459      0.073394      5.452419
  H      -2.159056     -0.524190      6.045662
  H      -0.698464      2.068981      6.766550
  H      -1.180015      0.772620      7.891311
  H      -2.093543      5.378694      7.261666
  H      -1.128896      4.144769      6.432404
  H      -3.484790      3.643883      8.341476
  H      -1.782104      3.225617      8.682823
  H      -5.891098      0.865785      7.769129
  H      -5.444291      2.557419      8.037370
  H      -3.618440      0.158736      7.481075
  H      -3.616054      1.179444      8.944397
  C      -2.150218      0.430213      3.400936
  C      -2.989335     -0.861513      3.282494
  C      -4.110070     -0.812258      2.262901
  N      -4.117405      0.172766      1.379359
  C      -5.139884      0.212809      0.478933
  N      -6.132537     -0.639049      0.358881
  C      -6.136278     -1.686057      1.239215
  C      -7.168222     -2.650276      1.150014
  C      -7.196172     -3.713432      2.027284
  C      -6.200948     -3.851580      3.022534
  C      -5.184444     -2.923355      3.133460
  C      -5.125974     -1.821351      2.244326
  C      -4.147324      5.334551      5.757185
  C      -3.822112      6.527331      4.830436
  C      -4.047166      6.174751      3.386713
  N      -5.321123      6.077529      3.018590
  C      -5.580133      5.726840      1.733306
  N      -4.701749      5.482094      0.777907
  C      -3.384739      5.555012      1.137550
  C      -2.393993      5.234306      0.176469
  C      -1.059721      5.253388      0.526421
  C      -0.664299      5.596758      1.841113
  C      -1.607653      5.915275      2.796666
  C      -2.987658      5.901028      2.471097
  C      -6.570734      1.798261      5.431035
  C      -6.715835      0.541617      4.559489
  C      -7.803250      0.675668      3.522909
  N      -7.746580      1.776607      2.784356
  C      -8.640126      1.908506      1.773155
  N      -9.569303      1.046217      1.410821
  C      -9.663535     -0.086633      2.168368
  C     -10.643847     -1.053929      1.835998
  C     -10.775538     -2.196167      2.597275
  C      -9.941017     -2.415844      3.718244
  C      -8.966678     -1.500498      4.055553
  C      -8.797052     -0.320153      3.288137
  H      -2.443887      1.112903      2.595697
  H      -1.082528      0.195095      3.253512
  H      -3.422829     -1.112839      4.262840
  H      -2.344203     -1.718144      3.025213
  H      -5.120732      1.056649     -0.217415
  H      -7.929832     -2.517160      0.381125
  H      -7.996686     -4.451840      1.961834
  H      -6.238600     -4.700911      3.706390
  H      -4.419260     -3.049143      3.900305
  H      -5.114915      4.917274      5.432427
  H      -4.281231      5.705599      6.787764
  H      -4.521470      7.336962      5.085758
  H      -2.803137      6.883493      5.025046
  H      -6.638953      5.625323      1.471409
  H      -2.725632      4.964306     -0.826748
  H      -0.298821      5.002925     -0.214406
  H       0.396082      5.609590      2.096942
  H      -1.289445      6.172684      3.806824
  H      -7.332752      1.796086      6.227231
  H      -6.754984      2.676131      4.797607
  H      -5.773531      0.421732      4.001173
  H      -6.837824     -0.357220      5.175730
  H      -8.557415      2.836213      1.195210
  H     -11.282374     -0.858970      0.973597
  H     -11.531989     -2.938480      2.338181
  H     -10.065855     -3.321986      4.312964
  H      -8.318430     -1.693229      4.910249
  N      -4.271899      2.765932      3.415368
  N      -4.738518      2.857356      2.299222
  H      -4.068564      3.122322      1.549974
89
Coordinates from ORCA-job orca E -6140.453955755479
  N      -2.275837      1.149564      4.661945
  Mo     -3.645451      2.497774      5.100240
  N      -5.241695      1.877074      6.030423
  C      -5.159020      1.603444      7.467710
  C      -3.749350      1.164308      7.827702
  N      -2.755432      2.048493      7.159686
  C      -1.460566      1.351571      6.942486
  C      -1.585622      0.438216      5.739794
  C      -2.561633      3.346242      7.867528
  C      -2.173091      4.388914      6.821454
  N      -3.155315      4.305481      5.740779
  H      -0.578531      0.136663      5.402752
  H      -2.117384     -0.497118      5.999221
  H      -0.703410      2.118837      6.733340
  H      -1.154565      0.805083      7.849852
  H      -2.153790      5.397222      7.263252
  H      -1.163738      4.187953      6.428618
  H      -3.522279      3.632127      8.318114
  H      -1.814822      3.241763      8.672390
  H      -5.864562      0.803324      7.748249
  H      -5.455044      2.500192      8.044214
  H      -3.583115      0.147878      7.445272
  H      -3.589059      1.154467      8.918528
  C      -2.154895      0.468285      3.365305
  C      -2.987167     -0.827999      3.248431
  C      -4.117115     -0.781495      2.238669
  N      -4.135103      0.204219      1.355867
  C      -5.164358      0.239897      0.462821
  N      -6.156345     -0.614006      0.351715
  C      -6.149810     -1.660804      1.232336
  C      -7.179027     -2.628758      1.150923
  C      -7.193427     -3.694969      2.024849
  C      -6.188260     -3.831284      3.010428
  C      -5.175258     -2.898565      3.114800
  C      -5.129756     -1.793985      2.227948
  C      -4.182260      5.345050      5.729360
  C      -3.832547      6.541701      4.815498
  C      -4.018923      6.185172      3.367767
  N      -5.282161      6.096811      2.962843
  C      -5.505663      5.729542      1.675567
  N      -4.600694      5.462112      0.750901
  C      -3.294142      5.531822      1.147813
  C      -2.277598      5.195070      0.219933
  C      -0.954287      5.210588      0.608913
  C      -0.595698      5.565067      1.931422
  C      -1.564906      5.899717      2.854998
  C      -2.934564      5.891568      2.487928
  C      -6.581280      1.787083      5.437858
  C      -6.741500      0.524303      4.577425
  C      -7.840764      0.655262      3.552586
  N      -7.800040      1.760219      2.818766
  C      -8.703344      1.889441      1.815868
  N      -9.630139      1.022050      1.459019
  C      -9.708571     -0.114839      2.212480
  C     -10.685952     -1.087507      1.886629
  C     -10.800125     -2.234956      2.642939
  C      -9.949648     -2.455571      3.751823
  C      -8.978607     -1.534475      4.083151
  C      -8.828200     -0.347746      3.321516
  H      -2.459277      1.152330      2.565106
  H      -1.086946      0.240501      3.208593
  H      -3.409465     -1.087218      4.231613
  H      -2.338563     -1.678814      2.980532
  H      -5.152132      1.082675     -0.235168
  H      -7.948318     -2.497252      0.389330
  H      -7.989949     -4.438092      1.964138
  H      -6.215027     -4.683212      3.691671
  H      -4.402117     -3.023149      3.873900
  H      -5.139962      4.927892      5.377193
  H      -4.342706      5.710399      6.758251
  H      -4.534886      7.353828      5.053596
  H      -2.817214      6.892999      5.036477
  H      -6.557360      5.631727      1.384241
  H      -2.580573      4.916545     -0.789927
  H      -0.173347      4.948264     -0.106618
  H       0.456815      5.574241      2.218379
  H      -1.275570      6.166847      3.871332
  H      -7.337562      1.798979      6.239473
  H      -6.762052      2.659719      4.796832
  H      -5.805921      0.398588      4.008706
  H      -6.857583     -0.370504      5.200707
  H      -8.630966      2.819641      1.240085
  H     -11.336412     -0.892476      1.033127
  H     -11.555398     -2.980473      2.389163
  H     -10.060051     -3.366536      4.342143
  H      -8.318264     -1.727177      4.928653
  N      -4.318292      2.772904      3.414524
  N      -4.812807      2.866296      2.310656
  H      -4.157836      3.107448      1.540453
89
Coordinates from ORCA-job orca E -6140.454672930540
  N      -2.282204      1.178363      4.627169
  Mo     -3.662780      2.509442      5.083542
  N      -5.246221      1.872607      6.023623
  C      -5.150562      1.578936      7.455928
  C      -3.731458      1.157524      7.801764
  N      -2.754794      2.060206      7.132627
  C      -1.451785      1.383777      6.902427
  C      -1.571740      0.474114      5.696498
  C      -2.577661      3.356406      7.847215
  C      -2.206687      4.412669      6.808861
  N      -3.188126      4.319945      5.727772
  H      -0.562233      0.191380      5.350467
  H      -2.086089     -0.471187      5.954833
  H      -0.707578      2.163198      6.691608
  H      -1.130605      0.837127      7.804468
  H      -2.204902      5.416995      7.259875
  H      -1.193791      4.233179      6.414384
  H      -3.542796      3.625206      8.298755
  H      -1.829638      3.257741      8.651658
  H      -5.840229      0.762585      7.729214
  H      -5.458596      2.462762      8.045837
  H      -3.554751      0.146106      7.411058
  H      -3.562137      1.142059      8.891142
  C      -2.165410      0.501077      3.328316
  C      -2.990790     -0.799542      3.213331
  C      -4.128086     -0.757890      2.211828
  N      -4.156482      0.227527      1.328666
  C      -5.190453      0.256154      0.441125
  N      -6.179133     -0.602495      0.336666
  C      -6.162356     -1.648168      1.218455
  C      -7.186880     -2.621673      1.143718
  C      -7.188685     -3.689017      2.016379
  C      -6.176121     -3.820079      2.995081
  C      -5.168330     -2.881302      3.093797
  C      -5.135128     -1.775754      2.207460
  C      -4.214337      5.359264      5.707614
  C      -3.845172      6.561080      4.806529
  C      -3.993264      6.198842      3.356551
  N      -5.244742      6.121463      2.914677
  C      -5.433635      5.734884      1.627963
  N      -4.503954      5.439982      0.735969
  C      -3.208773      5.506612      1.169201
  C      -2.168355      5.149957      0.276179
  C      -0.857015      5.161546      0.703539
  C      -0.534662      5.530231      2.031589
  C      -1.527965      5.884160      2.921690
  C      -2.886079      5.882524      2.513776
  C      -6.591650      1.783772      5.443632
  C      -6.765956      0.513648      4.595767
  C      -7.875144      0.639344      3.580659
  N      -7.851119      1.747422      2.850643
  C      -8.763205      1.871643      1.855179
  N      -9.687111      0.998588      1.504717
  C      -9.749237     -0.141319      2.254929
  C     -10.722996     -1.119997      1.936239
  C     -10.818501     -2.272402      2.687502
  C      -9.951508     -2.492918      3.783599
  C      -8.984589     -1.565192      4.108556
  C      -8.854670     -0.372235      3.352914
  H      -2.478725      1.186277      2.532346
  H      -1.097462      0.279280      3.163907
  H      -3.402896     -1.064711      4.199198
  H      -2.338537     -1.644814      2.936719
  H      -5.185890      1.097377     -0.259021
  H      -7.961880     -2.494391      0.387223
  H      -7.980235     -4.437641      1.959840
  H      -6.192844     -4.672920      3.675468
  H      -4.389451     -3.001483      3.847662
  H      -5.163858      4.943409      5.333386
  H      -4.394965      5.717911      6.735559
  H      -4.552493      7.373167      5.028103
  H      -2.834948      6.910761      5.052568
  H      -6.477200      5.642934      1.307208
  H      -2.443500      4.860960     -0.738717
  H      -0.057518      4.884913      0.014413
  H       0.508995      5.535397      2.349316
  H      -1.267275      6.163132      3.942551
  H      -7.341179      1.808918      6.251344
  H      -6.772156      2.649954      4.794376
  H      -5.835819      0.381338      4.019294
  H      -6.877780     -0.375734      5.227526
  H      -8.701007      2.802872      1.280073
  H     -11.385445     -0.925795      1.091836
  H     -11.571706     -3.021931      2.439316
  H     -10.046400     -3.408542      4.369382
  H      -8.311833     -1.757132      4.944397
  N      -4.362547      2.784322      3.406978
  N      -4.884153      2.881244      2.316136
  H      -4.245618      3.094465      1.524260
89
Coordinates from ORCA-job orca E -6140.455385067077
  N      -2.287323      1.216416      4.590143
  Mo     -3.681878      2.524409      5.069340
  N      -5.252297      1.870913      6.018115
  C      -5.141162      1.556574      7.445062
  C      -3.712646      1.154003      7.776188
  N      -2.754142      2.076309      7.106633
  C      -1.442614      1.422649      6.861181
  C      -1.556085      0.518227      5.650201
  C      -2.593226      3.370336      7.829313
  C      -2.242919      4.440499      6.797368
  N      -3.225247      4.338310      5.716996
  H      -0.543889      0.257403      5.294873
  H      -2.050954     -0.438297      5.905372
  H      -0.713819      2.216234      6.648848
  H      -1.104520      0.876393      7.757350
  H      -2.259728      5.440567      7.257501
  H      -1.226955      4.284000      6.400622
  H      -3.560812      3.620611      8.286220
  H      -1.841059      3.277403      8.630639
  H      -5.814053      0.723923      7.710838
  H      -5.461099      2.426774      8.048719
  H      -3.524438      0.148019      7.376955
  H      -3.533794      1.132418      8.863931
  C      -2.172710      0.546575      3.287323
  C      -2.991532     -0.757276      3.168497
  C      -4.135990     -0.713926      2.175475
  N      -4.173146      0.275654      1.297006
  C      -5.211904      0.303960      0.415398
  N      -6.199060     -0.557018      0.313417
  C      -6.174085     -1.605748      1.191301
  C      -7.196415     -2.581936      1.119154
  C      -7.188669     -3.653672      1.986319
  C      -6.169036     -3.786296      2.957595
  C      -5.163756     -2.844759      3.054308
  C      -5.139883     -1.734766      2.172958
  C      -4.248760      5.379364      5.684128
  C      -3.860902      6.582115      4.789820
  C      -3.967908      6.205181      3.340677
  N      -5.205258      6.137650      2.859189
  C      -5.357874      5.719059      1.578098
  N      -4.403687      5.384730      0.725822
  C      -3.121844      5.450588      1.197194
  C      -2.057741      5.060674      0.347147
  C      -0.760641      5.070494      0.815627
  C      -0.476453      5.468702      2.144009
  C      -1.493686      5.854331      2.992850
  C      -2.838118      5.856887      2.541288
  C      -6.603661      1.778632      5.451808
  C      -6.792419      0.496837      4.623820
  C      -7.908640      0.613043      3.614865
  N      -7.898602      1.720027      2.883018
  C      -8.816463      1.834398      1.891498
  N      -9.737553      0.954745      1.550183
  C      -9.786264     -0.184019      2.303216
  C     -10.757215     -1.169019      1.995225
  C     -10.836820     -2.322256      2.747021
  C      -9.955183     -2.538104      3.832498
  C      -8.991757     -1.603349      4.147833
  C      -8.879879     -0.408162      3.392820
  H      -2.493263      1.235149      2.497060
  H      -1.104326      0.331632      3.116937
  H      -3.393612     -1.032312      4.155802
  H      -2.336710     -1.596527      2.879566
  H      -5.213913      1.147508     -0.282229
  H      -7.976910     -2.453621      0.368409
  H      -7.977841     -4.404885      1.931298
  H      -6.178333     -4.642571      3.633883
  H      -4.379428     -2.965547      3.802416
  H      -5.191026      4.964377      5.292031
  H      -4.447606      5.735545      6.709683
  H      -4.575493      7.393207      4.989313
  H      -2.857912      6.934940      5.060397
  H      -6.391868      5.631575      1.226387
  H      -2.303291      4.750148     -0.668983
  H       0.057319      4.769722      0.158938
  H       0.556667      5.471495      2.494724
  H      -1.263390      6.156400      4.014446
  H      -7.345019      1.820184      6.266484
  H      -6.785981      2.635151      4.790907
  H      -5.866723      0.350847      4.043109
  H      -6.903755     -0.382723      5.269350
  H      -8.761836      2.763328      1.311784
  H     -11.429931     -0.979205      1.157887
  H     -11.588368     -3.076273      2.507031
  H     -10.036506     -3.455347      4.417892
  H      -8.308052     -1.791335      4.975770
  N      -4.408407      2.796109      3.404481
  N      -4.958778      2.895218      2.328785
  H      -4.342721      3.084788      1.513430
89
Coordinates from ORCA-job orca E -6140.456096585320
  N      -2.291269      1.239867      4.566350
  Mo     -3.693341      2.536054      5.057735
  N      -5.257714      1.873092      6.010122
  C      -5.138001      1.545150      7.433512
  C      -3.704371      1.153339      7.756775
  N      -2.755635      2.087052      7.088433
  C      -1.439141      1.446999      6.834352
  C      -1.548002      0.545843      5.620986
  C      -2.602012      3.377638      7.818354
  C      -2.267051      4.457749      6.791614
  N      -3.251076      4.350213      5.713266
  H      -0.534211      0.298631      5.260577
  H      -2.030956     -0.417061      5.874920
  H      -0.720070      2.249180      6.620963
  H      -1.091384      0.901326      7.727200
  H      -2.297367      5.454003      7.259297
  H      -1.249434      4.317858      6.392824
  H      -3.568637      3.616129      8.283338
  H      -1.844102      3.286641      8.614514
  H      -5.800965      0.702724      7.693218
  H      -5.465159      2.406396      8.046154
  H      -3.509716      0.150686      7.352226
  H      -3.520394      1.127174      8.843524
  C      -2.173814      0.576314      3.260584
  C      -2.992308     -0.726860      3.136560
  C      -4.137400     -0.681670      2.144902
  N      -4.173462      0.306366      1.264402
  C      -5.210891      0.332398      0.381533
  N      -6.199084     -0.527967      0.281011
  C      -6.176194     -1.573684      1.162373
  C      -7.199706     -2.549076      1.092954
  C      -7.192690     -3.618763      1.962658
  C      -6.173209     -3.749865      2.934347
  C      -5.167204     -2.809102      3.028742
  C      -5.142103     -1.701373      2.144370
  C      -4.268213      5.396720      5.672048
  C      -3.865195      6.600169      4.782744
  C      -3.946531      6.219069      3.333465
  N      -5.173722      6.172021      2.824137
  C      -5.306156      5.737982      1.546459
  N      -4.340028      5.369471      0.721177
  C      -3.067284      5.421947      1.218154
  C      -1.991615      5.005030      0.395758
  C      -0.704469      5.003388      0.891017
  C      -0.442151      5.416022      2.219457
  C      -1.471064      5.827741      3.041496
  C      -2.805892      5.842959      2.562205
  C      -6.611902      1.773666      5.451828
  C      -6.810466      0.478601      4.645879
  C      -7.928170      0.583335      3.637118
  N      -7.925679      1.686010      2.899111
  C      -8.845545      1.789980      1.908163
  N      -9.766535      0.906444      1.577304
  C      -9.808990     -0.227483      2.337934
  C     -10.782045     -1.214374      2.043101
  C     -10.854760     -2.363995      2.801011
  C      -9.962119     -2.575036      3.878559
  C      -8.997356     -1.637474      4.181919
  C      -8.894761     -0.444328      3.422426
  H      -2.492307      1.268869      2.472902
  H      -1.105203      0.361825      3.091298
  H      -3.392621     -1.004856      4.123714
  H      -2.337356     -1.564608      2.843377
  H      -5.211860      1.173488     -0.319284
  H      -7.979732     -2.422300      0.341446
  H      -7.981826     -4.369933      1.908874
  H      -6.183318     -4.604399      3.612816
  H      -4.383021     -2.928122      3.777246
  H      -5.208330      4.986799      5.270199
  H      -4.475155      5.751983      6.696360
  H      -4.583784      7.410451      4.969372
  H      -2.866960      6.953449      5.070404
  H      -6.333463      5.665177      1.172892
  H      -2.220161      4.686591     -0.622106
  H       0.122598      4.683217      0.255219
  H       0.583459      5.409732      2.591514
  H      -1.257827      6.141669      4.063161
  H      -7.348522      1.831274      6.270005
  H      -6.795985      2.619526      4.778165
  H      -5.886188      0.316445      4.066832
  H      -6.926345     -0.388558      5.307323
  H      -8.793457      2.713722      1.320233
  H     -11.462079     -1.028668      1.210755
  H     -11.609243     -3.118639      2.572023
  H     -10.037173     -3.490043      4.468294
  H      -8.306672     -1.821223      5.005062
  N      -4.435125      2.807807      3.397838
  N      -5.004785      2.911037      2.333920
  H      -4.404025      3.071437      1.500795
89
Coordinates from ORCA-job orca E -6140.456835945028
  N      -2.298098      1.276540      4.537221
  Mo     -3.710196      2.555488      5.046827
  N      -5.266736      1.877298      6.002975
  C      -5.135038      1.532358      7.421592
  C      -3.695922      1.151646      7.733172
  N      -2.759851      2.100471      7.068433
  C      -1.437408      1.477187      6.802199
  C      -1.540960      0.583646      5.582814
  C      -2.613322      3.385150      7.809673
  C      -2.295406      4.477205      6.789488
  N      -3.282127      4.366594      5.714199
  H      -0.525841      0.352682      5.215601
  H      -2.010209     -0.387058      5.832581
  H      -0.730124      2.290003      6.590015
  H      -1.078671      0.930009      7.689688
  H      -2.339089      5.468958      7.265649
  H      -1.276713      4.354472      6.388010
  H      -3.577185      3.609947      8.286740
  H      -1.847220      3.294551      8.598009
  H      -5.787323      0.679395      7.673803
  H      -5.468514      2.382138      8.046804
  H      -3.493364      0.154415      7.319045
  H      -3.505225      1.116948      8.818476
  C      -2.181155      0.623925      3.226026
  C      -2.994584     -0.681485      3.094933
  C      -4.141820     -0.632561      2.106516
  N      -4.176489      0.356655      1.226871
  C      -5.211949      0.383530      0.342507
  N      -6.201235     -0.475539      0.240590
  C      -6.181254     -1.520850      1.122149
  C      -7.206847     -2.494197      1.052223
  C      -7.202322     -3.563990      1.921580
  C      -6.183244     -3.697689      2.893300
  C      -5.175237     -2.759325      2.988225
  C      -5.147681     -1.650977      2.104513
  C      -4.289984      5.420124      5.658690
  C      -3.871200      6.617456      4.766847
  C      -3.920935      6.222575      3.320043
  N      -5.134942      6.187007      2.778665
  C      -5.241719      5.727005      1.508160
  N      -4.261592      5.320272      0.717391
  C      -3.000708      5.366441      1.244270
  C      -1.910550      4.915860      0.458986
  C      -0.636274      4.909462      0.986414
  C      -0.401475      5.350297      2.310570
  C      -1.444723      5.794397      3.096672
  C      -2.767245      5.814868      2.584771
  C      -6.623517      1.767436      5.455719
  C      -6.829830      0.456700      4.677679
  C      -7.947151      0.545018      3.667527
  N      -7.949353      1.638606      2.916902
  C      -8.868622      1.727253      1.924011
  N      -9.789026      0.838513      1.606880
  C      -9.827515     -0.286308      2.381558
  C     -10.801490     -1.276660      2.102429
  C     -10.868860     -2.418766      2.872123
  C      -9.968284     -2.618839      3.945075
  C      -9.003500     -1.676722      4.234047
  C      -8.908359     -0.489978      3.464147
  H      -2.502336      1.321428      2.443893
  H      -1.111845      0.414819      3.054371
  H      -3.389933     -0.967187      4.081773
  H      -2.338005     -1.515028      2.793603
  H      -5.211055      1.223888     -0.359272
  H      -7.986018     -2.365753      0.300273
  H      -7.992861     -4.313386      1.867061
  H      -6.195708     -4.552193      3.571601
  H      -4.391648     -2.879855      3.736908
  H      -5.229447      5.015117      5.250782
  H      -4.503230      5.781423      6.679579
  H      -4.598364      7.424485      4.932259
  H      -2.880878      6.978483      5.072029
  H      -6.259909      5.662845      1.109036
  H      -2.117075      4.578217     -0.557464
  H       0.201977      4.564393      0.379070
  H       0.614415      5.340471      2.708058
  H      -1.252137      6.130544      4.115240
  H      -7.354447      1.841723      6.277956
  H      -6.812470      2.600785      4.768251
  H      -5.906823      0.274349      4.102448
  H      -6.951852     -0.394231      5.358976
  H      -8.817458      2.642620      1.322950
  H     -11.486334     -1.099575      1.272271
  H     -11.624910     -3.175556      2.656198
  H     -10.038193     -3.528476      4.543500
  H      -8.307933     -1.852120      5.054870
  N      -4.470473      2.831837      3.393376
  N      -5.063442      2.942140      2.343428
  H      -4.481579      3.078652      1.492753
89
Coordinates from ORCA-job orca E -6140.457624883222
  N      -2.295813      1.311769      4.523659
  Mo     -3.721892      2.572171      5.044262
  N      -5.273802      1.875400      5.997734
  C      -5.135442      1.516993      7.412801
  C      -3.692892      1.147106      7.718517
  N      -2.767014      2.110531      7.060977
  C      -1.437519      1.502712      6.789358
  C      -1.531260      0.618048      5.563042
  C      -2.628437      3.389624      7.813022
  C      -2.321706      4.490872      6.798990
  N      -3.307424      4.378897      5.723389
  H      -0.513917      0.400756      5.193810
  H      -1.989977     -0.359422      5.806136
  H      -0.739885      2.325102      6.582676
  H      -1.073439      0.953431      7.673260
  H      -2.377419      5.479440      7.280658
  H      -1.300930      4.381230      6.399093
  H      -3.590220      3.602703      8.299402
  H      -1.856361      3.299143      8.595582
  H      -5.779283      0.655092      7.656473
  H      -5.476308      2.356123      8.048474
  H      -3.480296      0.155574      7.295478
  H      -3.500001      1.104281      8.803194
  C      -2.174428      0.671746      3.206699
  C      -2.987872     -0.632404      3.063292
  C      -4.131759     -0.573878      2.071936
  N      -4.153605      0.415185      1.191411
  C      -5.182203      0.448336      0.299593
  N      -6.178369     -0.402490      0.193216
  C      -6.173471     -1.445541      1.077300
  C      -7.207743     -2.409822      1.003547
  C      -7.217564     -3.478122      1.874551
  C      -6.204937     -3.619466      2.851981
  C      -5.188775     -2.690482      2.950631
  C      -5.146295     -1.583664      2.065435
  C      -4.303045      5.441791      5.649303
  C      -3.867325      6.627815      4.750020
  C      -3.901517      6.225576      3.304801
  N      -5.106129      6.216868      2.741386
  C      -5.203070      5.743656      1.474993
  N      -4.221517      5.295753      0.708085
  C      -2.968796      5.317132      1.255528
  C      -1.876746      4.827983      0.495507
  C      -0.612104      4.798027      1.045050
  C      -0.388812      5.253183      2.366053
  C      -1.433667      5.735027      3.127326
  C      -2.746702      5.779760      2.593583
  C      -6.630015      1.752532      5.455449
  C      -6.840237      0.424426      4.708829
  C      -7.952466      0.494655      3.691991
  N      -7.949395      1.573957      2.921771
  C      -8.863714      1.647036      1.922972
  N      -9.787393      0.756552      1.621296
  C      -9.831831     -0.353841      2.417013
  C     -10.811700     -1.343106      2.155624
  C     -10.884529     -2.471892      2.944423
  C      -9.982258     -2.659375      4.018263
  C      -9.012796     -1.717023      4.291032
  C      -8.913793     -0.542851      3.503070
  H      -2.491830      1.376099      2.429338
  H      -1.104250      0.464564      3.037729
  H      -3.385444     -0.924152      4.047438
  H      -2.331992     -1.464876      2.757510
  H      -5.169266      1.286275     -0.405093
  H      -7.981183     -2.275772      0.246717
  H      -8.014299     -4.220547      1.816497
  H      -6.229399     -4.472534      3.531745
  H      -4.410504     -2.816905      3.703853
  H      -5.245033      5.043836      5.240374
  H      -4.517416      5.815538      6.665453
  H      -4.597281      7.435483      4.900314
  H      -2.880584      6.990887      5.064579
  H      -6.215311      5.701413      1.057908
  H      -2.073062      4.481837     -0.520206
  H       0.227571      4.423549      0.457405
  H       0.619821      5.225350      2.780819
  H      -1.248548      6.082873      4.143389
  H      -7.359643      1.845070      6.277405
  H      -6.821207      2.571693      4.751959
  H      -5.917067      0.217868      4.142093
  H      -6.972992     -0.407176      5.411933
  H      -8.806022      2.550234      1.303939
  H     -11.496593     -1.175653      1.323510
  H     -11.646217     -3.227183      2.743586
  H     -10.055781     -3.558886      4.631369
  H      -8.317682     -1.882854      5.114312
  N      -4.493549      2.851533      3.396241
  N      -5.105440      2.966003      2.358163
  H      -4.537168      3.080231      1.494579
89
Coordinates from ORCA-job orca E -6140.458427773655
  N      -2.297200      1.356743      4.514892
  Mo     -3.739001      2.596318      5.047947
  N      -5.282080      1.873123      6.001038
  C      -5.134581      1.502996      7.412349
  C      -3.687884      1.146436      7.709387
  N      -2.775701      2.126262      7.057889
  C      -1.438819      1.534667      6.779723
  C      -1.524389      0.660670      5.545450
  C      -2.645515      3.400065      7.820351
  C      -2.350906      4.510231      6.812680
  N      -3.335665      4.396918      5.737058
  H      -0.505651      0.456019      5.173000
  H      -1.972979     -0.323492      5.780943
  H      -0.750593      2.366331      6.579475
  H      -1.069110      0.982157      7.659098
  H      -2.416892      5.496256      7.298380
  H      -1.328361      4.412273      6.413935
  H      -3.605110      3.600686      8.316176
  H      -1.866802      3.310406      8.596412
  H      -5.768596      0.631662      7.648783
  H      -5.482753      2.330484      8.059361
  H      -3.463911      0.161808      7.275975
  H      -3.491088      1.095462      8.793142
  C      -2.172507      0.734172      3.189768
  C      -2.986914     -0.567936      3.028191
  C      -4.124216     -0.496740      2.029922
  N      -4.127455      0.492896      1.149392
  C      -5.144713      0.534433      0.244872
  N      -6.149074     -0.305776      0.129426
  C      -6.165283     -1.346945      1.015196
  C      -7.209243     -2.300488      0.931562
  C      -7.237993     -3.369387      1.801398
  C      -6.236257     -3.521209      2.788498
  C      -5.211433     -2.602998      2.897066
  C      -5.148986     -1.496144      2.013068
  C      -4.315129      5.471505      5.639413
  C      -3.857773      6.636998      4.725072
  C      -3.878838      6.218521      3.284300
  N      -5.073202      6.238413      2.699397
  C      -5.163082      5.747994      1.438755
  N      -4.184124      5.252518      0.698081
  C      -2.940751      5.244765      1.266684
  C      -1.851731      4.707470      0.535025
  C      -0.598019      4.648833      1.107161
  C      -0.382849      5.123088      2.422599
  C      -1.424759      5.652312      3.156083
  C      -2.726660      5.726340      2.599781
  C      -6.636777      1.731210      5.464014
  C      -6.844581      0.384146      4.751502
  C      -7.948606      0.431679      3.724217
  N      -7.935211      1.492767      2.929819
  C      -8.841215      1.548488      1.922390
  N      -9.768728      0.656768      1.636424
  C      -9.823788     -0.435465      2.457260
  C     -10.809497     -1.423305      2.213192
  C     -10.891917     -2.535401      3.024752
  C      -9.992645     -2.707014      4.103815
  C      -9.019000     -1.764404      4.361255
  C      -8.911489     -0.606544      3.551098
  H      -2.486337      1.448389      2.420142
  H      -1.101642      0.529127      3.021985
  H      -3.389746     -0.868447      4.007578
  H      -2.331374     -1.398889      2.717626
  H      -5.113985      1.369861     -0.462396
  H      -7.973298     -2.158485      0.166692
  H      -8.041079     -4.104175      1.734572
  H      -6.276523     -4.374236      3.467600
  H      -4.442011     -2.738131      3.657952
  H      -5.261825      5.082672      5.232623
  H      -4.527081      5.866446      6.647981
  H      -4.587195      7.449384      4.853769
  H      -2.873088      7.000236      5.046108
  H      -6.168753      5.729299      1.003807
  H      -2.039889      4.349131     -0.478015
  H       0.239415      4.237057      0.541625
  H       0.617535      5.073194      2.855074
  H      -1.243949      6.015173      4.167791
  H      -7.367277      1.840361      6.283642
  H      -6.832034      2.533874      4.743059
  H      -5.919992      0.154559      4.196342
  H      -6.988073     -0.426509      5.476878
  H      -8.773336      2.437189      1.283038
  H     -11.490880     -1.268033      1.375804
  H     -11.659105     -3.288982      2.838822
  H     -10.073318     -3.593606      4.734632
  H      -8.328239     -1.917864      5.190696
  N      -4.528808      2.880059      3.409988
  N      -5.164991      2.998224      2.386854
  H      -4.610268      3.097499      1.511641
89
Coordinates from ORCA-job orca E -6140.459251192907
  N      -2.306260      1.401729      4.506722
  Mo     -3.758904      2.624238      5.053034
  N      -5.291333      1.877199      6.008439
  C      -5.133388      1.497284      7.415959
  C      -3.682285      1.152631      7.702814
  N      -2.783231      2.146135      7.054447
  C      -1.441299      1.567870      6.768049
  C      -1.523580      0.703417      5.526851
  C      -2.659755      3.416014      7.824700
  C      -2.376200      4.534052      6.823270
  N      -3.360803      4.419982      5.747868
  H      -0.504748      0.509225      5.149087
  H      -1.963310     -0.286501      5.755724
  H      -0.760640      2.406736      6.572350
  H      -1.064953      1.012004      7.642355
  H      -2.449107      5.517494      7.313160
  H      -1.352553      4.445931      6.424167
  H      -3.618046      3.605747      8.327291
  H      -1.875709      3.327247      8.595431
  H      -5.757957      0.617830      7.647880
  H      -5.486861      2.314771      8.072756
  H      -3.449946      0.174135      7.260091
  H      -3.480129      1.095235      8.785368
  C      -2.182011      0.796439      3.173724
  C      -2.994121     -0.505484      2.994514
  C      -4.125805     -0.425699      1.990469
  N      -4.119152      0.568754      1.115094
  C      -5.126994      0.615366      0.200009
  N      -6.132671     -0.221742      0.072682
  C      -6.159794     -1.266192      0.954192
  C      -7.206208     -2.216241      0.858229
  C      -7.244236     -3.290192      1.721575
  C      -6.249311     -3.450772      2.714120
  C      -5.222776     -2.536024      2.835063
  C      -5.151938     -1.423284      1.959185
  C      -4.322050      5.507880      5.629507
  C      -3.837488      6.652352      4.702823
  C      -3.849409      6.215779      3.267680
  N      -5.032812      6.269171      2.662946
  C      -5.120550      5.759682      1.409611
  N      -4.149780      5.211554      0.695660
  C      -2.916218      5.170142      1.283971
  C      -1.837178      4.577783      0.581198
  C      -0.595007      4.486084      1.173976
  C      -0.381897      4.981934      2.481735
  C      -1.414704      5.564492      3.187401
  C      -2.704700      5.671984      2.609987
  C      -6.645760      1.719183      5.477489
  C      -6.852147      0.355860      4.795625
  C      -7.949735      0.382899      3.759443
  N      -7.929488      1.428513      2.944894
  C      -8.828693      1.467957      1.930725
  N      -9.756612      0.572831      1.656329
  C      -9.817303     -0.504709      2.496330
  C     -10.800187     -1.497581      2.261605
  C     -10.883883     -2.598657      3.088097
  C      -9.989866     -2.752881      4.174108
  C      -9.020498     -1.803816      4.424042
  C      -8.911195     -0.657681      3.597937
  H      -2.496675      1.520391      2.413555
  H      -1.110885      0.595404      3.002850
  H      -3.399907     -0.818040      3.968955
  H      -2.335737     -1.331529      2.676929
  H      -5.085835      1.452368     -0.505013
  H      -7.964405     -2.067199      0.088889
  H      -8.049595     -4.021777      1.645633
  H      -6.297163     -4.307513      3.388019
  H      -4.459554     -2.678102      3.601003
  H      -5.273236      5.130640      5.222719
  H      -4.531587      5.922759      6.630500
  H      -4.558297      7.475707      4.810363
  H      -2.851632      7.007334      5.029786
  H      -6.119032      5.769309      0.958086
  H      -2.021692      4.205430     -0.427355
  H       0.235072      4.031808      0.630577
  H       0.609785      4.906449      2.930338
  H      -1.234246      5.943866      4.193135
  H      -7.376822      1.844059      6.294655
  H      -6.843741      2.505731      4.740070
  H      -5.925912      0.108528      4.251305
  H      -7.003837     -0.436780      5.539148
  H      -8.754202      2.344595      1.275483
  H     -11.476769     -1.356106      1.417891
  H     -11.647654     -3.357164      2.908701
  H     -10.071331     -3.631117      4.816414
  H      -8.333776     -1.944175      5.259218
  N      -4.569131      2.911811      3.426635
  N      -5.228773      3.031854      2.417582
  H      -4.685442      3.109784      1.531943
89
Coordinates from ORCA-job orca E -6140.460155594760
  N      -2.320946      1.455712      4.503830
  Mo     -3.785376      2.658265      5.064643
  N      -5.300469      1.877054      6.023383
  C      -5.129760      1.493093      7.427885
  C      -3.672800      1.164992      7.703275
  N      -2.789938      2.172643      7.054856
  C      -1.444053      1.607394      6.758400
  C      -1.527076      0.753284      5.509808
  C      -2.674743      3.441220      7.829630
  C      -2.404213      4.566925      6.835062
  N      -3.388735      4.450555      5.759647
  H      -0.509212      0.568216      5.124673
  H      -1.958792     -0.242445      5.730221
  H      -0.769821      2.452486      6.566931
  H      -1.059577      1.047518      7.626488
  H      -2.481840      5.547997      7.328725
  H      -1.379587      4.488725      6.434152
  H      -3.633179      3.618742      8.336478
  H      -1.885685      3.355367      8.595457
  H      -5.741983      0.604992      7.660017
  H      -5.489825      2.301952      8.091668
  H      -3.431274      0.192874      7.251962
  H      -3.464114      1.104076      8.784547
  C      -2.199020      0.873919      3.160491
  C      -3.013673     -0.423337      2.953772
  C      -4.132893     -0.327646      1.936564
  N      -4.106125      0.672808      1.068183
  C      -5.099805      0.731703      0.137108
  N      -6.111207     -0.095720     -0.007225
  C      -6.159612     -1.144135      0.868793
  C      -7.214524     -2.082908      0.756053
  C      -7.272955     -3.162140      1.612030
  C      -6.289622     -3.339433      2.613125
  C      -5.255330     -2.435612      2.750525
  C      -5.165693     -1.316970      1.884412
  C      -4.326943      5.555119      5.616822
  C      -3.808692      6.668566      4.669893
  C      -3.813468      6.199815      3.245401
  N      -4.985593      6.278583      2.622087
  C      -5.073475      5.735901      1.382327
  N      -4.113453      5.130269      0.701313
  C      -2.890145      5.063180      1.308916
  C      -1.826558      4.406199      0.643184
  C      -0.596476      4.287980      1.256284
  C      -0.380606      4.823216      2.548291
  C      -1.400081      5.468301      3.218770
  C      -2.677986      5.600058      2.620404
  C      -6.654063      1.695624      5.497129
  C      -6.852967      0.311047      4.854073
  C      -7.937330      0.308991      3.800391
  N      -7.900361      1.329440      2.954135
  C      -8.788042      1.346273      1.929411
  N      -9.718657      0.448573      1.670241
  C      -9.792971     -0.605252      2.538451
  C     -10.773103     -1.604002      2.316678
  C     -10.865312     -2.685137      3.168303
  C      -9.985415     -2.812019      4.269353
  C      -9.020838     -1.855475      4.509025
  C      -8.901186     -0.730648      3.655231
  H      -2.512642      1.612773      2.414224
  H      -1.128588      0.673750      2.984578
  H      -3.429304     -0.751788      3.918981
  H      -2.352963     -1.244708      2.628744
  H      -5.038694      1.571369     -0.563398
  H      -7.963428     -1.919997     -0.019679
  H      -8.086267     -3.883953      1.524536
  H      -6.353643     -4.199964      3.280855
  H      -4.502558     -2.590991      3.524449
  H      -5.283900      5.190710      5.213077
  H      -4.530890      5.998875      6.606440
  H      -4.512929      7.509682      4.746791
  H      -2.819220      7.010424      5.000547
  H      -6.064083      5.767808      0.915059
  H      -2.010709      4.005365     -0.354184
  H       0.222193      3.783012      0.740938
  H       0.602387      4.728331      3.012339
  H      -1.216491      5.878323      4.211813
  H      -7.389101      1.838878      6.307788
  H      -6.853354      2.458994      4.736665
  H      -5.920732      0.045375      4.329472
  H      -7.016726     -0.459189      5.618214
  H      -8.700452      2.204197      1.251562
  H     -11.438877     -1.484552      1.460949
  H     -11.624657     -3.450023      2.997190
  H     -10.074017     -3.674768      4.931488
  H      -8.344717     -1.973920      5.356260
  N      -4.624641      2.947962      3.456744
  N      -5.312487      3.064777      2.463670
  H      -4.776521      3.120889      1.570015
89
Coordinates from ORCA-job orca E -6140.461019277541
  N      -2.337909      1.511437      4.493127
  Mo     -3.813086      2.690531      5.073524
  N      -5.307791      1.877980      6.038108
  C      -5.122201      1.490029      7.439132
  C      -3.658310      1.180575      7.702034
  N      -2.793192      2.201985      7.050639
  C      -1.444340      1.653099      6.740177
  C      -1.528104      0.808222      5.484616
  C      -2.687805      3.469290      7.829566
  C      -2.433085      4.603281      6.841258
  N      -3.419358      4.483563      5.766217
  H      -0.511067      0.638126      5.090273
  H      -1.946927     -0.194920      5.697048
  H      -0.779814      2.506405      6.550220
  H      -1.047019      1.090940      7.601012
  H      -2.516918      5.580275      7.341556
  H      -1.408153      4.537791      6.437076
  H      -3.646613      3.633478      8.340165
  H      -1.893869      3.387719      8.590782
  H      -5.719454      0.592409      7.673232
  H      -5.489282      2.291411      8.108026
  H      -3.409164      0.213742      7.244055
  H      -3.440619      1.118171      8.781397
  C      -2.216166      0.953314      3.140266
  C      -3.027889     -0.341122      2.908455
  C      -4.137854     -0.233460      1.882802
  N      -4.101798      0.774941      1.023720
  C      -5.086570      0.841693      0.082724
  N      -6.097644      0.016667     -0.076752
  C      -6.156211     -1.037664      0.791840
  C      -7.214217     -1.970902      0.666376
  C      -7.284343     -3.054541      1.516206
  C      -6.308275     -3.242683      2.522232
  C      -5.270536     -2.344470      2.671450
  C      -5.171347     -1.220383      1.813854
  C      -4.333043      5.605989      5.600463
  C      -3.776671      6.690449      4.638332
  C      -3.775769      6.185677      3.226615
  N      -4.932810      6.297799      2.580728
  C      -5.025067      5.719160      1.357880
  N      -4.083207      5.046057      0.715846
  C      -2.872949      4.946508      1.345409
  C      -1.832343      4.218317      0.721116
  C      -0.617471      4.067537      1.356884
  C      -0.394753      4.641441      2.631325
  C      -1.393531      5.355632      3.262235
  C      -2.656309      5.519513      2.639985
  C      -6.662291      1.675267      5.518742
  C      -6.856852      0.273721      4.907874
  C      -7.929126      0.249905      3.840109
  N      -7.880594      1.252224      2.972142
  C      -8.760542      1.252493      1.940961
  N      -9.692356      0.352545      1.691834
  C      -9.774311     -0.685333      2.577405
  C     -10.748061     -1.691892      2.362132
  C     -10.841739     -2.761357      3.227976
  C      -9.973203     -2.867362      4.340304
  C      -9.016723     -1.901858      4.575693
  C      -8.892988     -0.790429      3.704447
  H      -2.531893      1.705262      2.408138
  H      -1.146051      0.757413      2.958580
  H      -3.449074     -0.686549      3.865246
  H      -2.362116     -1.154653      2.573715
  H      -5.015740      1.686573     -0.610645
  H      -7.958085     -1.798366     -0.112139
  H      -8.103006     -3.769683      1.421803
  H      -6.381486     -4.106275      3.184972
  H      -4.524549     -2.507907      3.450243
  H      -5.293898      5.255808      5.194972
  H      -4.534362      6.072702      6.579874
  H      -4.457023      7.552659      4.685638
  H      -2.782538      7.012406      4.975449
  H      -6.005296      5.780059      0.872672
  H      -2.020653      3.788827     -0.263260
  H       0.183966      3.506923      0.872923
  H       0.577067      4.521531      3.112786
  H      -1.204695      5.796197      4.240919
  H      -7.398229      1.835042      6.325379
  H      -6.863825      2.416755      4.738207
  H      -5.918288     -0.004974      4.401759
  H      -7.031943     -0.478473      5.687059
  H      -8.664474      2.096946      1.248104
  H     -11.405573     -1.589820      1.497794
  H     -11.592757     -3.534776      3.058843
  H     -10.063658     -3.721025      5.013846
  H      -8.348105     -2.003193      5.431031
  N      -4.684375      2.977830      3.482730
  N      -5.398844      3.087751      2.506204
  H      -4.876042      3.120491      1.602113
89
Coordinates from ORCA-job orca E -6140.461777022677
  N      -2.364812      1.534275      4.476295
  Mo     -3.834837      2.709575      5.072572
  N      -5.320475      1.883633      6.035275
  C      -5.130538      1.487754      7.432895
  C      -3.663334      1.181259      7.690492
  N      -2.802036      2.207849      7.040745
  C      -1.455585      1.666187      6.718396
  C      -1.543298      0.829336      5.457471
  C      -2.699558      3.469315      7.828638
  C      -2.446487      4.613183      6.852136
  N      -3.432598      4.502363      5.773610
  H      -0.527673      0.669719      5.055128
  H      -1.954819     -0.177777      5.664420
  H      -0.794793      2.523116      6.530538
  H      -1.050082      1.098724      7.572095
  H      -2.531251      5.582493      7.366520
  H      -1.421199      4.555075      6.447160
  H      -3.660841      3.627771      8.336055
  H      -1.907423      3.382479      8.591168
  H      -5.721853      0.586331      7.666091
  H      -5.499455      2.286740      8.103468
  H      -3.417016      0.216516      7.227038
  H      -3.440874      1.114322      8.768246
  C      -2.246922      0.984756      3.120451
  C      -3.050808     -0.312488      2.887340
  C      -4.159135     -0.214644      1.861180
  N      -4.134143      0.793137      1.000687
  C      -5.115855      0.841772      0.055038
  N      -6.111499     -0.000720     -0.108767
  C      -6.158794     -1.053292      0.763302
  C      -7.203069     -2.000754      0.637984
  C      -7.265210     -3.078558      1.496010
  C      -6.291809     -3.248508      2.507415
  C      -5.265724     -2.336586      2.655158
  C      -5.177827     -1.216167      1.791729
  C      -4.321301      5.645152      5.598162
  C      -3.730649      6.721645      4.641036
  C      -3.726088      6.205800      3.233148
  N      -4.873462      6.340453      2.574190
  C      -4.968341      5.750832      1.357864
  N      -4.037714      5.046161      0.733488
  C      -2.833973      4.929367      1.372747
  C      -1.803769      4.177550      0.761060
  C      -0.592115      4.019444      1.400666
  C      -0.363859      4.607358      2.667828
  C      -1.354927      5.340510      3.288869
  C      -2.614371      5.513249      2.661206
  C      -6.676224      1.674038      5.515857
  C      -6.870803      0.266928      4.913576
  C      -7.945780      0.237386      3.849178
  N      -7.908859      1.238458      2.978451
  C      -8.802440      1.235073      1.959556
  N      -9.733229      0.331444      1.720537
  C      -9.798019     -0.708504      2.603036
  C     -10.759636     -1.727429      2.391656
  C     -10.830466     -2.802290      3.252204
  C      -9.955015     -2.900162      4.359806
  C      -9.010817     -1.922451      4.592375
  C      -8.905968     -0.807845      3.721677
  H      -2.569918      1.739091      2.394541
  H      -1.177677      0.793162      2.930566
  H      -3.469882     -0.662311      3.842984
  H      -2.377542     -1.119134      2.550493
  H      -5.055384      1.687588     -0.638053
  H      -7.946620     -1.841322     -0.143393
  H      -8.077958     -3.801009      1.406077
  H      -6.357892     -4.107685      3.176281
  H      -4.521425     -2.485377      3.437983
  H      -5.282748      5.311508      5.181843
  H      -4.526394      6.114008      6.575532
  H      -4.385826      7.602286      4.679269
  H      -2.732625      7.018203      4.989786
  H      -5.940614      5.834259      0.861874
  H      -1.998525      3.737170     -0.217187
  H       0.202095      3.441739      0.925286
  H       0.605747      4.482050      3.151910
  H      -1.163228      5.794539      4.260322
  H      -7.410444      1.841012      6.322160
  H      -6.878117      2.405054      4.726140
  H      -5.929123     -0.008289      4.410502
  H      -7.044445     -0.482854      5.694742
  H      -8.719150      2.078910      1.265924
  H     -11.424168     -1.632693      1.532060
  H     -11.567308     -3.588423      3.081094
  H     -10.028896     -3.757676      5.030156
  H      -8.334167     -2.016516      5.441870
  N      -4.716817      3.012025      3.486076
  N      -5.436294      3.128856      2.513851
  H      -4.920382      3.135894      1.604964
89
Coordinates from ORCA-job orca E -6140.462495879676
  N      -2.372142      1.554978      4.475015
  Mo     -3.847544      2.721955      5.078003
  N      -5.335773      1.881907      6.028060
  C      -5.148558      1.472569      7.422639
  C      -3.682534      1.165375      7.680437
  N      -2.822579      2.201059      7.044389
  C      -1.471670      1.667233      6.721310
  C      -1.551358      0.843325      5.452116
  C      -2.723583      3.452329      7.847374
  C      -2.463951      4.603733      6.881351
  N      -3.442795      4.505449      5.795848
  H      -0.534647      0.690038      5.050559
  H      -1.960562     -0.166134      5.651514
  H      -0.813571      2.528333      6.545412
  H      -1.069171      1.091964      7.571037
  H      -2.555129      5.568873      7.402879
  H      -1.435356      4.549183      6.485273
  H      -3.685409      3.606875      8.354614
  H      -1.934296      3.358015      8.612061
  H      -5.740177      0.568280      7.644214
  H      -5.519467      2.263456      8.101777
  H      -3.431377      0.206443      7.206808
  H      -3.462002      1.086620      8.757846
  C      -2.253096      1.015482      3.115265
  C      -3.058562     -0.281846      2.882307
  C      -4.163502     -0.184200      1.853213
  N      -4.128196      0.817403      0.985775
  C      -5.102293      0.862851      0.032715
  N      -6.102837      0.025740     -0.129964
  C      -6.163502     -1.018356      0.751023
  C      -7.214450     -1.959406      0.627681
  C      -7.287266     -3.031230      1.492124
  C      -6.319235     -3.201331      2.508708
  C      -5.287844     -2.295453      2.655406
  C      -5.188452     -1.180418      1.785673
  C      -4.301990      5.665683      5.595863
  C      -3.687996      6.726973      4.637509
  C      -3.687111      6.222509      3.225231
  N      -4.830550      6.379079      2.563653
  C      -4.934458      5.794755      1.345392
  N      -4.018799      5.070175      0.721958
  C      -2.817490      4.933095      1.360967
  C      -1.798601      4.164331      0.748858
  C      -0.586101      3.995309      1.384297
  C      -0.346139      4.585747      2.647554
  C      -1.327090      5.329523      3.271444
  C      -2.586954      5.515789      2.649233
  C      -6.685789      1.664626      5.503622
  C      -6.875828      0.246679      4.928184
  C      -7.940134      0.196431      3.855758
  N      -7.895788      1.181222      2.968212
  C      -8.783019      1.162759      1.943721
  N      -9.715244      0.258404      1.716577
  C      -9.786396     -0.767478      2.616025
  C     -10.749685     -1.786759      2.415057
  C     -10.826424     -2.849575      3.290111
  C      -9.954053     -2.933749      4.401256
  C      -9.009535     -1.953909      4.624533
  C      -8.899780     -0.851046      3.740263
  H      -2.574016      1.773497      2.392538
  H      -1.183493      0.825218      2.925183
  H      -3.481354     -0.626519      3.838033
  H      -2.386857     -1.091907      2.550901
  H      -5.032864      1.701908     -0.667772
  H      -7.952722     -1.801036     -0.158854
  H      -8.103407     -3.749459      1.401889
  H      -6.393970     -4.056017      3.182407
  H      -4.547776     -2.444673      3.442118
  H      -5.268294      5.350998      5.175203
  H      -4.503689      6.145765      6.568424
  H      -4.336423      7.613080      4.676294
  H      -2.688210      7.012543      4.990167
  H      -5.903126      5.899577      0.846028
  H      -2.003106      3.721891     -0.226512
  H       0.199727      3.406736      0.908356
  H       0.624318      4.452289      3.127813
  H      -1.125311      5.784717      4.240532
  H      -7.424711      1.846380      6.303023
  H      -6.884543      2.382787      4.701235
  H      -5.930850     -0.044213      4.440340
  H      -7.061176     -0.485127      5.723809
  H      -8.694821      1.994399      1.235563
  H     -11.410736     -1.701947      1.551759
  H     -11.565144     -3.635983      3.128246
  H     -10.032369     -3.781551      5.083325
  H      -8.337695     -2.037685      5.478940
  N      -4.718116      3.044050      3.488055
  N      -5.437711      3.175809      2.519120
  H      -4.928899      3.157220      1.605902
89
Coordinates from ORCA-job orca E -6140.463129628652
  N      -2.387501      1.587756      4.457358
  Mo     -3.867021      2.739741      5.076146
  N      -5.343771      1.877719      6.022149
  C      -5.149226      1.457835      7.412891
  C      -3.679807      1.161397      7.664026
  N      -2.831515      2.210371      7.033843
  C      -1.477225      1.693158      6.700475
  C      -1.554344      0.877752      5.425768
  C      -2.742747      3.455436      7.847305
  C      -2.489154      4.617548      6.892681
  N      -3.464746      4.522224      5.803923
  H      -0.538252      0.739418      5.017477
  H      -1.951629     -0.137310      5.620300
  H      -0.828710      2.562195      6.528692
  H      -1.065060      1.114963      7.543630
  H      -2.591833      5.575673      7.425176
  H      -1.458665      4.577539      6.499629
  H      -3.707463      3.599473      8.352048
  H      -1.955889      3.359983      8.614409
  H      -5.731848      0.546606      7.629260
  H      -5.524716      2.240951      8.098405
  H      -3.422159      0.208316      7.181864
  H      -3.454326      1.075891      8.739855
  C      -2.271188      1.056123      3.094765
  C      -3.065142     -0.248359      2.862478
  C      -4.173949     -0.157395      1.837383
  N      -4.156360      0.852537      0.978822
  C      -5.136036      0.894066      0.031312
  N      -6.126383      0.045569     -0.133762
  C      -6.171334     -1.005091      0.740571
  C      -7.214725     -1.954380      0.618372
  C      -7.274417     -3.029864      1.479258
  C      -6.299252     -3.196898      2.489440
  C      -5.274519     -2.283283      2.634482
  C      -5.189228     -1.163540      1.769258
  C      -4.300635      5.695382      5.583072
  C      -3.653636      6.740340      4.629915
  C      -3.646887      6.226727      3.221293
  N      -4.776464      6.406412      2.541863
  C      -4.877148      5.816809      1.326037
  N      -3.972800      5.062146      0.722017
  C      -2.783909      4.902054      1.378203
  C      -1.772474      4.109632      0.783253
  C      -0.569429      3.925769      1.432335
  C      -0.332856      4.520862      2.693966
  C      -1.307428      5.285058      3.302494
  C      -2.556378      5.490876      2.664433
  C      -6.693902      1.656277      5.501042
  C      -6.884895      0.234551      4.935742
  C      -7.951472      0.179882      3.867260
  N      -7.915659      1.164312      2.978897
  C      -8.812619      1.144317      1.962710
  N      -9.744042      0.237840      1.743086
  C      -9.802047     -0.791569      2.639270
  C     -10.759829     -1.816527      2.441241
  C     -10.823252     -2.883171      3.312497
  C      -9.943353     -2.964880      4.417934
  C      -9.004466     -1.979057      4.638689
  C      -8.907361     -0.872592      3.757151
  H      -2.604714      1.814070      2.378196
  H      -1.200889      0.878316      2.895992
  H      -3.482204     -0.598335      3.818701
  H      -2.387117     -1.051818      2.527876
  H      -5.081011      1.739937     -0.661977
  H      -7.959463     -1.798457     -0.162552
  H      -8.086352     -3.753185      1.391583
  H      -6.363130     -4.055016      3.159873
  H      -4.528368     -2.430066      3.415889
  H      -5.264970      5.394670      5.148384
  H      -4.510330      6.183027      6.550263
  H      -4.283298      7.640192      4.659390
  H      -2.652554      7.005217      4.994321
  H      -5.831960      5.951282      0.807476
  H      -1.976746      3.662188     -0.190005
  H       0.211100      3.320209      0.969035
  H       0.630307      4.374834      3.185182
  H      -1.109824      5.743614      4.271163
  H      -7.430693      1.845328      6.300924
  H      -6.893237      2.367353      4.692582
  H      -5.939670     -0.059564      4.449890
  H      -7.070408     -0.492474      5.735567
  H      -8.735047      1.976454      1.254189
  H     -11.427597     -1.733264      1.582942
  H     -11.556390     -3.674997      3.151467
  H     -10.011634     -3.815389      5.097712
  H      -8.327141     -2.060627      5.488936
  N      -4.741655      3.070694      3.490372
  N      -5.463473      3.205028      2.523786
  H      -4.963637      3.159623      1.606556
89
Coordinates from ORCA-job orca E -6140.463636679234
  N      -2.411934      1.608582      4.452970
  Mo     -3.890697      2.752972      5.085378
  N      -5.354790      1.863581      6.023200
  C      -5.157411      1.438653      7.412236
  C      -3.685961      1.151268      7.660290
  N      -2.847517      2.211620      7.035891
  C      -1.490985      1.708247      6.693119
  C      -1.568527      0.899902      5.414293
  C      -2.767329      3.450238      7.859546
  C      -2.512830      4.622479      6.918266
  N      -3.482630      4.533487      5.824497
  H      -0.554053      0.773123      4.998542
  H      -1.956577     -0.119110      5.606250
  H      -0.849392      2.583085      6.525515
  H      -1.070880      1.126306      7.529920
  H      -2.626906      5.572823      7.462824
  H      -1.479415      4.595367      6.531480
  H      -3.737073      3.588208      8.356355
  H      -1.987511      3.350744      8.633380
  H      -5.733857      0.523029      7.625711
  H      -5.536443      2.217882      8.100078
  H      -3.422444      0.203171      7.171343
  H      -3.457163      1.060446      8.734955
  C      -2.297002      1.080782      3.089213
  C      -3.081239     -0.230271      2.861654
  C      -4.187620     -0.149517      1.833164
  N      -4.182863      0.864009      0.978482
  C      -5.163411      0.897664      0.031245
  N      -6.143778      0.038433     -0.136494
  C      -6.178694     -1.013697      0.736771
  C      -7.215499     -1.969989      0.616016
  C      -7.267472     -3.044281      1.479000
  C      -6.290671     -3.203811      2.488783
  C      -5.271454     -2.283643      2.631465
  C      -5.194043     -1.164736      1.764457
  C      -4.286234      5.723692      5.576100
  C      -3.603157      6.747031      4.626708
  C      -3.602048      6.233938      3.217990
  N      -4.727595      6.427185      2.535587
  C      -4.829481      5.846481      1.315342
  N      -3.932943      5.083059      0.710757
  C      -2.748095      4.908625      1.369620
  C      -1.737693      4.116931      0.769755
  C      -0.533886      3.929624      1.416295
  C      -0.296940      4.514504      2.682562
  C      -1.270414      5.274663      3.297156
  C      -2.518517      5.489368      2.659841
  C      -6.703143      1.637612      5.500361
  C      -6.890866      0.214408      4.937282
  C      -7.957183      0.159622      3.870263
  N      -7.926138      1.144282      2.981880
  C      -8.834907      1.127826      1.975522
  N      -9.768841      0.222919      1.762953
  C      -9.816490     -0.811580      2.653766
  C     -10.773068     -1.837957      2.457548
  C     -10.828012     -2.908849      3.324095
  C      -9.940288     -2.992788      4.423267
  C      -9.002716     -2.005142      4.642355
  C      -8.913528     -0.894466      3.764869
  H      -2.643066      1.836018      2.376709
  H      -1.226337      0.914669      2.882232
  H      -3.501401     -0.576117      3.818053
  H      -2.397517     -1.032481      2.535744
  H      -5.119339      1.747089     -0.658330
  H      -7.962770     -1.820372     -0.163824
  H      -8.075067     -3.772645      1.393269
  H      -6.347956     -4.061520      3.160467
  H      -4.522812     -2.424792      3.411660
  H      -5.249345      5.440402      5.127440
  H      -4.502515      6.222810      6.536206
  H      -4.206690      7.664783      4.655636
  H      -2.597162      6.981283      4.997600
  H      -5.776385      6.004713      0.789241
  H      -1.947533      3.672743     -0.204037
  H       0.246142      3.326692      0.948430
  H       0.666734      4.364978      3.171957
  H      -1.074728      5.725319      4.270290
  H      -7.441087      1.829593      6.298736
  H      -6.900672      2.344498      4.687738
  H      -5.943484     -0.079064      4.454961
  H      -7.077919     -0.512265      5.736999
  H      -8.768067      1.961455      1.268182
  H     -11.448001     -1.752173      1.605011
  H     -11.560090     -3.702139      3.164077
  H     -10.002338     -3.845903      5.100519
  H      -8.320811     -2.087894      5.488875
  N      -4.761231      3.100448      3.500437
  N      -5.473452      3.240426      2.528293
  H      -4.972032      3.175826      1.613561
89
Coordinates from ORCA-job orca E -6140.464055118618
  N      -2.425615      1.642547      4.432645
  Mo     -3.906222      2.778405      5.077217
  N      -5.359254      1.865107      6.010789
  C      -5.154151      1.428256      7.395017
  C      -3.679308      1.152562      7.635747
  N      -2.852938      2.226225      7.018557
  C      -1.493042      1.737036      6.667243
  C      -1.570744      0.936130      5.384095
  C      -2.778905      3.458147      7.852153
  C      -2.534771      4.641776      6.923911
  N      -3.502951      4.553351      5.829681
  H      -0.557694      0.819806      4.961604
  H      -1.949313     -0.087456      5.571608
  H      -0.859387      2.618365      6.502857
  H      -1.064539      1.153241      7.498469
  H      -2.660632      5.584790      7.478602
  H      -1.499765      4.631273      6.539177
  H      -3.748739      3.585155      8.351937
  H      -1.996805      3.356081      8.623255
  H      -5.721574      0.505203      7.600536
  H      -5.538877      2.196388      8.092042
  H      -3.408155      0.212088      7.137014
  H      -3.446437      1.053848      8.708890
  C      -2.319746      1.119869      3.066767
  C      -3.103101     -0.191541      2.839732
  C      -4.212560     -0.110746      1.814021
  N      -4.211546      0.903248      0.959704
  C      -5.190560      0.932052      0.010494
  N      -6.167209      0.068619     -0.157954
  C      -6.198177     -0.983555      0.715245
  C      -7.230440     -1.944751      0.593863
  C      -7.278076     -3.019435      1.456861
  C      -6.300547     -3.174902      2.466475
  C      -5.285055     -2.250540      2.608850
  C      -5.213376     -1.130641      1.743004
  C      -4.286507      5.753808      5.569182
  C      -3.572512      6.761543      4.624862
  C      -3.558524      6.238354      3.220870
  N      -4.669340      6.448898      2.520176
  C      -4.764833      5.858791      1.304311
  N      -3.876666      5.068370      0.722162
  C      -2.705116      4.876548      1.399696
  C      -1.703817      4.057722      0.823127
  C      -0.513161      3.852606      1.488092
  C      -0.281670      4.445592      2.751783
  C      -1.247752      5.232438      3.344362
  C      -2.482066      5.465718      2.686823
  C      -6.707896      1.631918      5.490785
  C      -6.895266      0.201655      4.942663
  C      -7.962577      0.131307      3.875267
  N      -7.939670      1.107146      2.976535
  C      -8.851539      1.075388      1.972954
  N      -9.782169      0.163995      1.773365
  C      -9.820809     -0.861781      2.674477
  C     -10.773167     -1.894366      2.492295
  C     -10.817369     -2.958342      3.368099
  C      -9.922238     -3.028708      4.462099
  C      -8.989093     -2.034011      4.667864
  C      -8.911630     -0.929962      3.781296
  H      -2.674555      1.876629      2.360207
  H      -1.250588      0.957880      2.849986
  H      -3.521228     -0.538044      3.797037
  H      -2.419707     -0.993350      2.512304
  H      -5.148254      1.780945     -0.680130
  H      -7.978087     -1.798384     -0.186148
  H      -8.082535     -3.751635      1.371234
  H      -6.354413     -4.032733      3.138222
  H      -4.535600     -2.388684      3.388873
  H      -5.247846      5.483434      5.109612
  H      -4.507236      6.260951      6.524215
  H      -4.161006      7.689342      4.638150
  H      -2.568144      6.981811      5.008723
  H      -5.700670      6.030152      0.763509
  H      -1.909357      3.607798     -0.148659
  H       0.260858      3.229550      1.036988
  H       0.671759      4.281300      3.256264
  H      -1.057061      5.687518      4.316111
  H      -7.447705      1.831356      6.285596
  H      -6.905411      2.330415      4.671327
  H      -5.947813     -0.098856      4.464788
  H      -7.083292     -0.515066      5.751248
  H      -8.790577      1.900488      1.255842
  H     -11.453158     -1.819220      1.642833
  H     -11.546727     -3.756074      3.219596
  H      -9.974748     -3.876998      5.146160
  H      -8.301520     -2.106731      5.510840
  N      -4.789739      3.132740      3.500030
  N      -5.510409      3.274776      2.533072
  H      -5.014820      3.182474      1.616724
89
Coordinates from ORCA-job orca E -6140.464447824020
  N      -2.441257      1.652716      4.419373
  Mo     -3.917588      2.790015      5.071172
  N      -5.369063      1.866848      5.997205
  C      -5.163772      1.420145      7.378493
  C      -3.688488      1.146439      7.618015
  N      -2.865351      2.226881      7.008659
  C      -1.503582      1.744890      6.652975
  C      -1.581020      0.947894      5.367467
  C      -2.794784      3.451850      7.852041
  C      -2.550587      4.643821      6.934961
  N      -3.513227      4.560020      5.836093
  H      -0.568790      0.837124      4.941477
  H      -1.954685     -0.077849      5.553247
  H      -0.874179      2.629692      6.490908
  H      -1.071298      1.159766      7.481322
  H      -2.686956      5.580462      7.498159
  H      -1.512976      4.644568      6.557091
  H      -3.766315      3.574229      8.349824
  H      -2.015584      3.344039      8.625332
  H      -5.729426      0.494286      7.575991
  H      -5.550945      2.181973      8.081049
  H      -3.413824      0.210189      7.113411
  H      -3.455587      1.041124      8.690526
  C      -2.342346      1.126431      3.054684
  C      -3.123385     -0.188035      2.837272
  C      -4.238632     -0.113840      1.817023
  N      -4.255983      0.906751      0.970990
  C      -5.242088      0.931657      0.029390
  N      -6.210328      0.058700     -0.138711
  C      -6.222750     -1.000485      0.726202
  C      -7.245266     -1.972319      0.605286
  C      -7.273468     -3.054560      1.459633
  C      -6.285663     -3.207512      2.459657
  C      -5.279622     -2.272904      2.601520
  C      -5.227946     -1.144845      1.744737
  C      -4.278143      5.769451      5.563261
  C      -3.539571      6.771528      4.632251
  C      -3.515718      6.256472      3.225663
  N      -4.618688      6.478094      2.516295
  C      -4.706508      5.896797      1.295708
  N      -3.817182      5.106548      0.715063
  C      -2.652564      4.904467      1.401202
  C      -1.647206      4.089715      0.825062
  C      -0.462540      3.876451      1.497823
  C      -0.241484      4.454860      2.770138
  C      -1.210909      5.238016      3.361868
  C      -2.438756      5.481565      2.695603
  C      -6.717657      1.637395      5.476264
  C      -6.908955      0.204699      4.937692
  C      -7.981669      0.126944      3.876373
  N      -7.973198      1.102702      2.977610
  C      -8.890433      1.060792      1.978803
  N      -9.814486      0.141634      1.786024
  C      -9.838807     -0.883814      2.688217
  C     -10.785190     -1.922932      2.513364
  C     -10.815340     -2.987022      3.389714
  C      -9.909948     -3.051135      4.475561
  C      -8.982538     -2.049456      4.674153
  C      -8.921085     -0.943943      3.788340
  H      -2.705946      1.879777      2.348809
  H      -1.274274      0.968621      2.830181
  H      -3.537944     -0.529744      3.798061
  H      -2.440223     -0.990844      2.512352
  H      -5.214555      1.785655     -0.655623
  H      -8.000607     -1.828845     -0.167819
  H      -8.069471     -3.795913      1.374040
  H      -6.324174     -4.071410      3.124653
  H      -4.521807     -2.408834      3.373785
  H      -5.235018      5.509633      5.088610
  H      -4.509149      6.277413      6.515529
  H      -4.117598      7.705980      4.644314
  H      -2.536769      6.978291      5.027651
  H      -5.634787      6.080943      0.746256
  H      -1.845302      3.650655     -0.153307
  H       0.315080      3.258092      1.046434
  H       0.707032      4.283121      3.281379
  H      -1.028752      5.681263      4.340706
  H      -7.458184      1.844638      6.268464
  H      -6.911382      2.332453      4.652879
  H      -5.963673     -0.101017      4.458757
  H      -7.094787     -0.505968      5.752152
  H      -8.841339      1.884270      1.259191
  H     -11.472321     -1.852404      1.669283
  H     -11.541558     -3.788819      3.247963
  H      -9.949822     -3.900236      5.159499
  H      -8.287362     -2.118525      5.511142
  N      -4.792801      3.155781      3.492034
  N      -5.504232      3.304699      2.519268
  H      -5.008127      3.185693      1.606634
89
Coordinates from ORCA-job orca E -6140.464797014198
  N      -2.469025      1.683995      4.410588
  Mo     -3.942426      2.815096      5.080152
  N      -5.378249      1.861836      6.001357
  C      -5.164732      1.409254      7.379174
  C      -3.686435      1.146444      7.610207
  N      -2.877976      2.240822      7.006403
  C      -1.513000      1.775912      6.637513
  C      -1.592684      0.984864      5.347980
  C      -2.816569      3.457082      7.862751
  C      -2.579175      4.660390      6.959452
  N      -3.535327      4.579501      5.854470
  H      -0.583293      0.887146      4.911935
  H      -1.952868     -0.046297      5.531046
  H      -0.894429      2.668454      6.475754
  H      -1.068302      1.191192      7.459503
  H      -2.729133      5.589224      7.532306
  H      -1.538755      4.677351      6.589160
  H      -3.790328      3.568805      8.358796
  H      -2.039144      3.345223      8.637297
  H      -5.723532      0.478573      7.573268
  H      -5.554525      2.163877      8.088040
  H      -3.404158      0.217405      7.096768
  H      -3.448363      1.035014      8.680972
  C      -2.381384      1.159733      3.044380
  C      -3.158039     -0.158191      2.831991
  C      -4.273904     -0.091755      1.810872
  N      -4.311741      0.939277      0.978532
  C      -5.299917      0.958747      0.038803
  N      -6.253412      0.071562     -0.138124
  C      -6.246052     -0.997851      0.714016
  C      -7.254739     -1.983213      0.586213
  C      -7.264681     -3.074299      1.429662
  C      -6.271362     -3.223289      2.424956
  C      -5.278032     -2.275953      2.572865
  C      -5.246058     -1.138212      1.727940
  C      -4.268605      5.802113      5.552757
  C      -3.490862      6.776753      4.625045
  C      -3.464951      6.255719      3.220330
  N      -4.559254      6.492294      2.502475
  C      -4.644235      5.914760      1.279363
  N      -3.760016      5.115583      0.703821
  C      -2.605701      4.893777      1.401259
  C      -1.606183      4.066598      0.832158
  C      -0.431095      3.834313      1.515065
  C      -0.213539      4.405499      2.791499
  C      -1.177034      5.201097      3.376281
  C      -2.394989      5.464636      2.699167
  C      -6.727271      1.628571      5.483251
  C      -6.915475      0.193998      4.950931
  C      -7.989031      0.110238      3.890693
  N      -7.989283      1.087692      2.994133
  C      -8.908046      1.040359      1.996724
  N      -9.825927      0.114948      1.804029
  C      -9.841120     -0.912598      2.704480
  C     -10.780665     -1.957848      2.529442
  C     -10.801436     -3.024060      3.403762
  C      -9.892926     -3.083765      4.487153
  C      -8.972390     -2.075682      4.686228
  C      -8.920657     -0.967653      3.802808
  H      -2.760498      1.911099      2.344103
  H      -1.315148      1.010586      2.806128
  H      -3.575187     -0.495332      3.793705
  H      -2.473129     -0.961975      2.513997
  H      -5.287629      1.820743     -0.636478
  H      -8.014860     -1.842958     -0.182822
  H      -8.050182     -3.826118      1.339432
  H      -6.295660     -4.094111      3.081595
  H      -4.515823     -2.408475      3.341457
  H      -5.221529      5.556417      5.063052
  H      -4.506939      6.326641      6.494142
  H      -4.041503      7.727869      4.624999
  H      -2.486400      6.957564      5.029109
  H      -5.564420      6.114951      0.721478
  H      -1.800480      3.634145     -0.149907
  H       0.342598      3.207665      1.068277
  H       0.727439      4.218032      3.311172
  H      -0.997515      5.637465      4.358701
  H      -7.469484      1.837110      6.273595
  H      -6.921677      2.320551      4.657314
  H      -5.970272     -0.113114      4.473041
  H      -7.100160     -0.513598      5.768244
  H      -8.866878      1.865211      1.278052
  H     -11.469922     -1.890427      1.686809
  H     -11.522687     -3.830563      3.262436
  H      -9.924298     -3.934694      5.169329
  H      -8.275190     -2.142544      5.521590
  N      -4.818090      3.190085      3.503911
  N      -5.517978      3.339319      2.522079
  H      -5.009244      3.197803      1.619410
89
Coordinates from ORCA-job orca E -6140.465115029961
  N      -2.487678      1.700389      4.382712
  Mo     -3.953366      2.833758      5.066480
  N      -5.382257      1.866144      5.984426
  C      -5.161748      1.400547      7.356545
  C      -3.681306      1.142166      7.579409
  N      -2.881511      2.247054      6.982902
  C      -1.515327      1.795216      6.602544
  C      -1.597411      1.007791      5.311256
  C      -2.824882      3.452910      7.853873
  C      -2.598897      4.669447      6.966103
  N      -3.550574      4.591008      5.856881
  H      -0.590422      0.920958      4.867241
  H      -1.946226     -0.027555      5.493195
  H      -0.906601      2.694262      6.438915
  H      -1.059534      1.212080      7.419501
  H      -2.762757      5.588858      7.550393
  H      -1.557182      4.704912      6.600846
  H      -3.797708      3.551753      8.354350
  H      -2.044522      3.335956      8.624611
  H      -5.715663      0.465399      7.542872
  H      -5.552748      2.145715      8.074729
  H      -3.396214      0.218912      7.057193
  H      -3.438806      1.022753      8.648274
  C      -2.415926      1.169343      3.018299
  C      -3.196886     -0.147972      2.821359
  C      -4.317599     -0.090529      1.804566
  N      -4.369553      0.939462      0.971484
  C      -5.359951      0.946767      0.034098
  N      -6.304196      0.049235     -0.139333
  C      -6.283443     -1.018581      0.714622
  C      -7.282448     -2.014352      0.591591
  C      -7.279147     -3.103728      1.437127
  C      -6.282089     -3.240332      2.430645
  C      -5.297530     -2.283133      2.573611
  C      -5.279188     -1.147006      1.725872
  C      -4.270812      5.820074      5.548078
  C      -3.471667      6.791003      4.635977
  C      -3.425271      6.268700      3.231848
  N      -4.506048      6.510854      2.495766
  C      -4.571621      5.936703      1.269700
  N      -3.679047      5.138742      0.706217
  C      -2.538536      4.910278      1.423692
  C      -1.529437      4.086091      0.867347
  C      -0.368288      3.845822      1.570958
  C      -0.174231      4.406525      2.855988
  C      -1.146407      5.201367      3.427185
  C      -2.349865      5.473787      2.728151
  C      -6.732965      1.633804      5.470387
  C      -6.923355      0.197568      4.945713
  C      -8.002689      0.105208      3.892121
  N      -8.022390      1.084923      2.998358
  C      -8.945562      1.025101      2.005408
  N      -9.853134      0.088791      1.817468
  C      -9.851044     -0.938713      2.718039
  C     -10.783494     -1.991842      2.552543
  C     -10.787276     -3.057506      3.427823
  C      -9.867000     -3.109618      4.501465
  C      -8.952874     -2.093874      4.691155
  C      -8.920430     -0.984797      3.808171
  H      -2.803052      1.917094      2.318677
  H      -1.352845      1.017907      2.768337
  H      -3.612348     -0.473332      3.788188
  H      -2.516180     -0.957890      2.510324
  H      -5.358292      1.807182     -0.643275
  H      -8.045734     -1.883531     -0.175954
  H      -8.056297     -3.864267      1.349728
  H      -6.296179     -4.109802      3.089370
  H      -4.532120     -2.405539      3.340667
  H      -5.216851      5.581161      5.042398
  H      -4.521182      6.343198      6.487053
  H      -4.015438      7.745955      4.625718
  H      -2.472697      6.966409      5.055909
  H      -5.481171      6.142175      0.696598
  H      -1.703652      3.663142     -0.122698
  H       0.412766      3.221193      1.134264
  H       0.755465      4.211702      3.392913
  H      -0.983600      5.630797      4.415695
  H      -7.473765      1.846569      6.261122
  H      -6.928681      2.323214      4.642714
  H      -5.980388     -0.111434      4.464504
  H      -7.103031     -0.505903      5.767743
  H      -8.917900      1.849779      1.286234
  H     -11.481441     -1.930278      1.716668
  H     -11.504710     -3.869021      3.295358
  H      -9.883837     -3.960581      5.184094
  H      -8.247106     -2.155133      5.519688
  N      -4.826740      3.216396      3.490607
  N      -5.514262      3.369278      2.500333
  H      -4.999181      3.199378      1.606073
89
Coordinates from ORCA-job orca E -6140.465402962071
  N      -2.512358      1.726543      4.361573
  Mo     -3.970932      2.857107      5.065109
  N      -5.388904      1.870667      5.980487
  C      -5.159664      1.393860      7.346880
  C      -3.676566      1.140710      7.558612
  N      -2.888074      2.257563      6.968342
  C      -1.521291      1.822071      6.573295
  C      -1.605636      1.040511      5.278626
  C      -2.837517      3.452554      7.854775
  C      -2.624129      4.683049      6.983918
  N      -3.567978      4.608008      5.867027
  H      -0.601286      0.969203      4.825713
  H      -1.939551     -0.000538      5.456544
  H      -0.924893      2.729181      6.407870
  H      -1.051335      1.240732      7.383474
  H      -2.803839      5.592427      7.579371
  H      -1.580349      4.738097      6.626630
  H      -3.809473      3.536041      8.359439
  H      -2.053813      3.331167      8.621260
  H      -5.708020      0.454471      7.528308
  H      -5.550429      2.130537      8.073969
  H      -3.389297      0.223644      7.026776
  H      -3.427237      1.013613      8.624994
  C      -2.455920      1.194142      2.997287
  C      -3.240987     -0.121871      2.811177
  C      -4.365187     -0.072629      1.797805
  N      -4.439930      0.963673      0.974320
  C      -5.433883      0.960442      0.040376
  N      -6.361838      0.047238     -0.137278
  C      -6.319332     -1.026382      0.708748
  C      -7.301207     -2.038464      0.581923
  C      -7.275735     -3.133892      1.419098
  C      -6.273179     -3.259982      2.408593
  C      -5.304505     -2.287229      2.554791
  C      -5.308865     -1.145009      1.714857
  C      -4.262931      5.848669      5.541487
  C      -3.434874      6.802828      4.638849
  C      -3.377816      6.275334      3.236405
  N      -4.448941      6.523647      2.488911
  C      -4.505630      5.947671      1.262908
  N      -3.612444      5.144298      0.709384
  C      -2.482568      4.907051      1.440273
  C      -1.473497      4.075365      0.895549
  C      -0.323926      3.823145      1.613871
  C      -0.140649      4.381739      2.901625
  C      -1.112158      5.186201      3.460311
  C      -2.304334      5.469238      2.746684
  C      -6.741086      1.637653      5.469804
  C      -6.936330      0.198074      4.956292
  C      -8.014595      0.097313      3.901977
  N      -8.043905      1.075579      3.006501
  C      -8.964472      1.002605      2.011622
  N      -9.861866      0.056602      1.824223
  C      -9.851439     -0.967832      2.727887
  C     -10.774437     -2.029914      2.565680
  C     -10.768805     -3.092761      3.444218
  C      -9.847811     -3.133903      4.517686
  C      -8.942609     -2.109590      4.704275
  C      -8.920634     -1.002472      3.818346
  H      -2.849542      1.941804      2.301568
  H      -1.396374      1.040627      2.734622
  H      -3.656035     -0.438325      3.781408
  H      -2.563499     -0.936749      2.506259
  H      -5.450915      1.826577     -0.629298
  H      -8.069344     -1.915250     -0.182072
  H      -8.039431     -3.907473      1.328471
  H      -6.270188     -4.134069      3.061320
  H      -4.534338     -2.401290      3.318350
  H      -5.204259      5.621561      5.022281
  H      -4.519933      6.378647      6.474763
  H      -3.960444      7.767683      4.616062
  H      -2.438827      6.963641      5.071344
  H      -5.408142      6.158196      0.680973
  H      -1.637284      3.655292     -0.097417
  H       0.456628      3.191250      1.186773
  H       0.779914      4.177296      3.450644
  H      -0.955890      5.615870      4.449765
  H      -7.480545      1.858819      6.259726
  H      -6.935894      2.321748      4.637703
  H      -5.993800     -0.117913      4.478797
  H      -7.118889     -0.498619      5.783459
  H      -8.943362      1.825248      1.290170
  H     -11.472914     -1.977089      1.729615
  H     -11.479436     -3.910828      3.314888
  H      -9.856806     -3.982768      5.203084
  H      -8.236357     -2.162091      5.533031
  N      -4.844307      3.241279      3.489928
  N      -5.513393      3.391280      2.486060
  H      -4.990684      3.172264      1.606073
89
Coordinates from ORCA-job orca E -6140.465654728599
  N      -2.532825      1.749984      4.345081
  Mo     -3.987116      2.877476      5.064297
  N      -5.395340      1.875732      5.978848
  C      -5.158428      1.385892      7.338803
  C      -3.672931      1.138136      7.539829
  N      -2.895190      2.266053      6.956005
  C      -1.527643      1.845835      6.549978
  C      -1.612384      1.069912      5.252196
  C      -2.850379      3.451388      7.855729
  C      -2.646892      4.693604      7.000035
  N      -3.583185      4.622387      5.876397
  H      -0.610054      1.013145      4.792557
  H      -1.932764      0.023985      5.426574
  H      -0.941832      2.759926      6.384637
  H      -1.046105      1.265205      7.353908
  H      -2.841106      5.593787      7.604933
  H      -1.601261      4.765398      6.650365
  H      -3.821779      3.521700      8.363316
  H      -2.064047      3.326648      8.618919
  H      -5.700718      0.441753      7.513527
  H      -5.549369      2.112776      8.075642
  H      -3.383902      0.227552      6.997857
  H      -3.416199      1.003071      8.603455
  C      -2.487905      1.216529      2.981096
  C      -3.278349     -0.097718      2.805749
  C      -4.402174     -0.055752      1.792390
  N      -4.489160      0.982346      0.972180
  C      -5.482181      0.969495      0.036787
  N      -6.397397      0.045028     -0.145604
  C      -6.344436     -1.029414      0.698892
  C      -7.315471     -2.051316      0.569297
  C      -7.280567     -3.146749      1.406076
  C      -6.278947     -3.262906      2.397630
  C      -5.320236     -2.280738      2.546073
  C      -5.334489     -1.138142      1.706708
  C      -4.255262      5.872540      5.535683
  C      -3.404426      6.810022      4.639432
  C      -3.340062      6.274812      3.239619
  N      -4.400633      6.532648      2.480640
  C      -4.449898      5.956654      1.254079
  N      -3.558415      5.146087      0.709227
  C      -2.439067      4.898161      1.452162
  C      -1.430072      4.060590      0.916342
  C      -0.290074      3.798483      1.646551
  C      -0.115660      4.354876      2.936469
  C      -1.086331      5.166896      3.485621
  C      -2.269655      5.458156      2.761060
  C      -6.747864      1.641663      5.470722
  C      -6.946017      0.198699      4.968571
  C      -8.022013      0.090239      3.913357
  N      -8.062933      1.070129      3.019657
  C      -8.985196      0.989127      2.026619
  N      -9.872725      0.034216      1.839110
  C      -9.849586     -0.992240      2.739904
  C     -10.761553     -2.063771      2.577098
  C     -10.743123     -3.128328      3.453144
  C      -9.819955     -3.162101      4.525028
  C      -8.925514     -2.128500      4.712391
  C      -8.916611     -1.019261      3.828632
  H      -2.882444      1.965010      2.287248
  H      -1.431244      1.057957      2.709675
  H      -3.694727     -0.403810      3.778828
  H      -2.604020     -0.918153      2.508876
  H      -5.508925      1.837148     -0.630439
  H      -8.083517     -1.935097     -0.195892
  H      -8.036117     -3.928022      1.313308
  H      -6.268548     -4.137073      3.050155
  H      -4.550663     -2.387050      3.311310
  H      -5.193618      5.657052      5.006280
  H      -4.515504      6.408575      6.464627
  H      -3.915880      7.782229      4.605367
  H      -2.411478      6.959880      5.082705
  H      -5.341310      6.181074      0.660460
  H      -1.585882      3.643762     -0.079365
  H       0.490161      3.161237      1.226826
  H       0.797913      4.143576      3.494586
  H      -0.935681      5.597235      4.475663
  H      -7.486090      1.871607      6.259526
  H      -6.941622      2.319572      4.633195
  H      -6.002945     -0.123377      4.495812
  H      -7.132196     -0.491470      5.800227
  H      -8.975076      1.813284      1.306931
  H     -11.462334     -2.016425      1.742611
  H     -11.445236     -3.953699      3.323510
  H      -9.819011     -4.012251      5.208870
  H      -8.217508     -2.174776      5.539923
  N      -4.862211      3.264434      3.489575
  N      -5.516364      3.414351      2.476301
  H      -4.997699      3.135826      1.609824
89
Coordinates from ORCA-job orca E -6140.465932838299
  N      -2.555725      1.772155      4.332100
  Mo     -4.005813      2.896229      5.067658
  N      -5.402308      1.879503      5.983869
  C      -5.157218      1.378808      7.337705
  C      -3.669044      1.137614      7.527042
  N      -2.902580      2.275369      6.947110
  C      -1.535151      1.869040      6.529838
  C      -1.621879      1.097969      5.229201
  C      -2.862989      3.452990      7.857516
  C      -2.670064      4.705547      7.015636
  N      -3.598557      4.636956      5.885674
  H      -0.621869      1.054918      4.762716
  H      -1.929161      0.047515      5.400346
  H      -0.958797      2.789104      6.363818
  H      -1.041879      1.289230      7.327332
  H      -2.879246      5.596734      7.628983
  H      -1.622865      4.794633      6.673550
  H      -3.833762      3.510640      8.367850
  H      -2.073777      3.326400      8.617356
  H      -5.692866      0.429957      7.507135
  H      -5.548080      2.096567      8.083521
  H      -3.378651      0.233082      6.975873
  H      -3.403501      0.996361      8.587676
  C      -2.521253      1.239514      2.967982
  C      -3.318977     -0.071242      2.801222
  C      -4.442263     -0.034605      1.787848
  N      -4.544242      1.007642      0.974289
  C      -5.537020      0.986152      0.037707
  N      -6.437689      0.049586     -0.151412
  C      -6.371524     -1.028123      0.688138
  C      -7.329109     -2.061605      0.552777
  C      -7.281302     -3.159874      1.385312
  C      -6.279998     -3.266852      2.377964
  C      -5.333749     -2.273474      2.531329
  C      -5.361007     -1.128216      1.696189
  C      -4.245929      5.896800      5.528191
  C      -3.371963      6.814611      4.636814
  C      -3.302774      6.270103      3.240624
  N      -4.356828      6.531000      2.474029
  C      -4.400227      5.953285      1.247876
  N      -3.508924      5.138270      0.710136
  C      -2.396832      4.885166      1.461797
  C      -1.387248      4.043809      0.933541
  C      -0.253524      3.777382      1.672117
  C      -0.086323      4.333363      2.963119
  C      -1.057744      5.149448      3.505030
  C      -2.234422      5.445277      2.771729
  C      -6.755356      1.644369      5.477937
  C      -6.956749      0.198434      4.985323
  C      -8.027656      0.083470      3.925821
  N      -8.075962      1.063593      3.032328
  C      -8.997454      0.974943      2.038818
  N      -9.875790      0.012085      1.849900
  C      -9.843274     -1.015621      2.748581
  C     -10.745098     -2.095484      2.583986
  C     -10.717878     -3.160380      3.459162
  C      -9.795222     -3.186852      4.531782
  C      -8.910650     -2.145148      4.720843
  C      -8.911405     -1.034846      3.838191
  H      -2.914789      1.990583      2.276553
  H      -1.467838      1.074102      2.688198
  H      -3.737363     -0.367245      3.776721
  H      -2.648548     -0.897665      2.512291
  H      -5.576238      1.858092     -0.623186
  H      -8.097402     -1.951856     -0.213080
  H      -8.026071     -3.950780      1.287565
  H      -6.259464     -4.143172      3.027288
  H      -4.564093     -2.372905      3.297374
  H      -5.181997      5.693376      4.990166
  H      -4.507751      6.440343      6.452371
  H      -3.866657      7.795095      4.591104
  H      -2.381630      6.951483      5.089894
  H      -5.285194      6.183752      0.647082
  H      -1.537824      3.627255     -0.063084
  H       0.527185      3.136891      1.258267
  H       0.822527      4.119089      3.527809
  H      -0.912988      5.580579      4.495572
  H      -7.492360      1.882349      6.265592
  H      -6.947953      2.316706      4.635579
  H      -6.012085     -0.130942      4.520201
  H      -7.149994     -0.485585      5.820325
  H      -8.996045      1.800131      1.320437
  H     -11.446063     -2.053631      1.749379
  H     -11.412663     -3.991797      3.328774
  H      -9.787670     -4.037204      5.215272
  H      -8.203347     -2.184587      5.549280
  N      -4.882085      3.282396      3.491865
  N      -5.515305      3.430226      2.465485
  H      -5.004329      3.076034      1.620185
89
Coordinates from ORCA-job orca E -6140.466221698093
  N      -2.590498      1.811791      4.318164
  Mo     -4.036967      2.920190      5.081861
  N      -5.406955      1.878267      6.007912
  C      -5.141150      1.374490      7.356672
  C      -3.648074      1.153179      7.528222
  N      -2.904450      2.303448      6.942919
  C      -1.537511      1.914513      6.503000
  C      -1.635418      1.146170      5.200016
  C      -2.870052      3.477152      7.858825
  C      -2.697478      4.736421      7.022357
  N      -3.629292      4.663515      5.895316
  H      -0.642485      1.115006      4.717709
  H      -1.927645      0.091536      5.372902
  H      -0.973767      2.841656      6.331940
  H      -1.026465      1.337922      7.291392
  H      -2.916075      5.620679      7.643219
  H      -1.652466      4.842736      6.678722
  H      -3.837331      3.522898      8.376820
  H      -2.074479      3.353838      8.612627
  H      -5.663566      0.418154      7.525571
  H      -5.533335      2.082859      8.110769
  H      -3.350438      0.254888      6.970705
  H      -3.368802      1.011551      8.585331
  C      -2.567259      1.288427      2.949831
  C      -3.358114     -0.026347      2.777791
  C      -4.489946      0.004434      1.771734
  N      -4.621747      1.056017      0.973544
  C      -5.616442      1.024838      0.038942
  N      -6.494707      0.069552     -0.160680
  C      -6.401228     -1.017191      0.664719
  C      -7.339443     -2.067714      0.523544
  C      -7.267929     -3.172127      1.346335
  C      -6.259132     -3.270360      2.332718
  C      -5.329697     -2.261437      2.489828
  C      -5.384616     -1.107713      1.667464
  C      -4.250550      5.928494      5.509355
  C      -3.348474      6.813863      4.611932
  C      -3.271645      6.240975      3.227339
  N      -4.313764      6.498619      2.443398
  C      -4.348227      5.899025      1.226995
  N      -3.453978      5.072878      0.711406
  C      -2.356946      4.817556      1.483998
  C      -1.347532      3.958893      0.982467
  C      -0.227620      3.691313      1.740770
  C      -0.074862      4.260753      3.027924
  C      -1.045741      5.093753      3.544084
  C      -2.206956      5.394843      2.787685
  C      -6.762867      1.635917      5.513249
  C      -6.954577      0.194820      5.008447
  C      -8.031442      0.084843      3.954305
  N      -8.098448      1.081179      3.081845
  C      -9.023230      1.000004      2.090848
  N      -9.889986      0.029420      1.887668
  C      -9.839416     -1.015217      2.767084
  C     -10.728328     -2.103073      2.586455
  C     -10.680980     -3.185269      3.439962
  C      -9.750307     -3.220901      4.505171
  C      -8.877455     -2.172106      4.709228
  C      -8.899298     -1.044110      3.849833
  H      -2.979481      2.041011      2.269603
  H      -1.516145      1.136779      2.655133
  H      -3.771099     -0.328913      3.754091
  H      -2.684668     -0.848184      2.483718
  H      -5.676672      1.904287     -0.610096
  H      -8.113755     -1.965411     -0.237336
  H      -7.998979     -3.975350      1.245637
  H      -6.219776     -4.151644      2.974624
  H      -4.554925     -2.353080      3.251687
  H      -5.183649      5.730059      4.965281
  H      -4.513474      6.493660      6.420199
  H      -3.821750      7.803514      4.542200
  H      -2.359602      6.938932      5.071535
  H      -5.224488      6.126077      0.611778
  H      -1.488025      3.530223     -0.010536
  H       0.553612      3.039180      1.346283
  H       0.822643      4.043409      3.609426
  H      -0.913750      5.531474      4.533741
  H      -7.496502      1.858498      6.308501
  H      -6.969423      2.315485      4.679605
  H      -6.010702     -0.124213      4.535022
  H      -7.138356     -0.498338      5.838280
  H      -9.033533      1.837749      1.386741
  H     -11.434596     -2.053960      1.756653
  H     -11.365917     -4.022992      3.297451
  H      -9.725179     -4.085634      5.170137
  H      -8.162728     -2.221471      5.530785
  N      -4.913401      3.298997      3.504675
  N      -5.519184      3.436013      2.461193
  H      -5.014097      2.988543      1.651599
89
Coordinates from ORCA-job orca E -6140.466584380799
  N      -2.623350      1.843547      4.303416
  Mo     -4.065363      2.941580      5.090411
  N      -5.414879      1.881602      6.024613
  C      -5.133498      1.370730      7.367127
  C      -3.636704      1.163887      7.522841
  N      -2.910866      2.324342      6.935082
  C      -1.545184      1.950176      6.477526
  C      -1.650943      1.185259      5.171979
  C      -2.880741      3.493380      7.857396
  C      -2.723734      4.759650      7.028958
  N      -3.654250      4.685739      5.901073
  H      -0.663355      1.166478      4.677993
  H      -1.929091      0.126592      5.344313
  H      -0.991921      2.883222      6.303341
  H      -1.019429      1.375654      7.257680
  H      -2.953180      5.636284      7.657240
  H      -1.679604      4.882234      6.687534
  H      -3.845366      3.527787      8.381129
  H      -2.080032      3.371717      8.606053
  H      -5.644875      0.407818      7.532412
  H      -5.526378      2.068874      8.130397
  H      -3.335227      0.271520      6.957988
  H      -3.344882      1.020127      8.576274
  C      -2.609974      1.328479      2.931872
  C      -3.401836      0.014301      2.758231
  C      -4.540227      0.041447      1.758902
  N      -4.698759      1.101208      0.975518
  C      -5.695896      1.061680      0.042846
  N      -6.553582      0.090525     -0.166803
  C      -6.436034     -1.003791      0.645614
  C      -7.355752     -2.069502      0.497362
  C      -7.262084     -3.179982      1.309892
  C      -6.247630     -3.270009      2.291305
  C      -5.334716     -2.246757      2.453795
  C      -5.414033     -1.085991      1.643460
  C      -4.248127      5.957419      5.491473
  C      -3.318930      6.814499      4.594568
  C      -3.233173      6.218946      3.219967
  N      -4.263765      6.474701      2.420409
  C      -4.288521      5.859929      1.211085
  N      -3.391984      5.024745      0.714479
  C      -2.308403      4.767739      1.505008
  C      -1.297541      3.898457      1.024667
  C      -0.188997      3.631405      1.799372
  C      -0.050026      4.210333      3.083936
  C      -1.022496      5.053587      3.579979
  C      -2.171087      5.356773      2.804773
  C      -6.772363      1.634229      5.536685
  C      -6.959924      0.193726      5.031165
  C      -8.037669      0.081178      3.978123
  N      -8.120874      1.085405      3.116978
  C      -9.047391      1.002287      2.127578
  N      -9.901427      0.022099      1.916722
  C      -9.833529     -1.031606      2.784594
  C     -10.707952     -2.129547      2.594850
  C     -10.642278     -3.220562      3.436120
  C      -9.706737     -3.255152      4.497045
  C      -8.847541     -2.196834      4.709567
  C      -8.888903     -1.059409      3.863487
  H      -3.029780      2.085104      2.259932
  H      -1.561848      1.180001      2.625862
  H      -3.810467     -0.289899      3.736188
  H      -2.729149     -0.806914      2.461148
  H      -5.776086      1.948419     -0.593803
  H      -8.134775     -1.973610     -0.259534
  H      -7.979314     -3.994929      1.204327
  H      -6.190723     -4.156073      2.925332
  H      -4.555829     -2.331692      3.212178
  H      -5.178113      5.767954      4.939598
  H      -4.512084      6.537688      6.392547
  H      -3.772159      7.811834      4.503880
  H      -2.333717      6.928087      5.064835
  H      -5.155571      6.086513      0.582572
  H      -1.428530      3.461710      0.033828
  H       0.594015      2.972210      1.420320
  H       0.838614      3.992805      3.678872
  H      -0.902580      5.497198      4.568616
  H      -7.503731      1.852909      6.335078
  H      -6.985982      2.314187      4.704811
  H      -6.015505     -0.123500      4.557419
  H      -7.141796     -0.500508      5.860618
  H      -9.070577      1.846685      1.431614
  H     -11.417781     -2.081052      1.768038
  H     -11.316415     -4.065904      3.287028
  H      -9.666390     -4.127287      5.151581
  H      -8.128374     -2.246248      5.527246
  N      -4.941771      3.314388      3.510667
  N      -5.518809      3.445037      2.451159
  H      -5.026946      2.915152      1.678445
89
Coordinates from ORCA-job orca E -6140.466831253779
  N      -2.655851      1.876112      4.288383
  Mo     -4.093277      2.963385      5.098582
  N      -5.421981      1.885260      6.040451
  C      -5.124961      1.367445      7.376527
  C      -3.624717      1.175427      7.516516
  N      -2.916942      2.346032      6.926619
  C      -1.552769      1.986957      6.451536
  C      -1.666251      1.225491      5.143450
  C      -2.891171      3.510272      7.855397
  C      -2.749876      4.783378      7.035149
  N      -3.679034      4.708464      5.906367
  H      -0.684251      1.219295      4.637929
  H      -1.930073      0.162878      5.314905
  H      -1.010229      2.925930      6.274456
  H      -1.012360      1.414726      7.223276
  H      -2.990243      5.652107      7.670851
  H      -1.706827      4.922384      6.696167
  H      -3.853012      3.533197      8.384789
  H      -2.085351      3.390389      8.598886
  H      -5.625166      0.398032      7.537983
  H      -5.518438      2.055171      8.148946
  H      -3.319347      0.289144      6.944289
  H      -3.320409      1.029684      8.566147
  C      -2.652371      1.369528      2.913690
  C      -3.445089      0.055853      2.738519
  C      -4.590055      0.079009      1.746018
  N      -4.775543      1.146082      0.977583
  C      -5.774996      1.097973      0.046783
  N      -6.611800      0.111502     -0.173004
  C      -6.469989     -0.989681      0.626357
  C      -7.370903     -2.070254      0.470974
  C      -7.254865     -3.186254      1.273188
  C      -6.234852     -3.267746      2.249635
  C      -5.338757     -2.230401      2.417537
  C      -5.442686     -1.063249      1.619288
  C      -4.245010      5.986115      5.473334
  C      -3.289004      6.813987      4.577563
  C      -3.195469      6.194999      3.213764
  N      -4.214613      6.448673      2.399092
  C      -4.230919      5.817899      1.197622
  N      -3.333217      4.972865      0.720334
  C      -2.263212      4.714271      1.528362
  C      -1.252233      3.833358      1.069567
  C      -0.154923      3.567018      1.860052
  C      -0.028454      4.156576      3.141157
  C      -1.001358      5.010953      3.616843
  C      -2.137258      5.316115      2.823338
  C      -6.781004      1.632881      5.559298
  C      -6.964404      0.192958      5.053126
  C      -8.042968      0.077701      4.001121
  N      -8.142373      1.089288      3.151192
  C      -9.070662      1.004053      2.163432
  N      -9.912010      0.014566      1.945067
  C      -9.826758     -1.047644      2.801484
  C     -10.686844     -2.155245      2.602890
  C     -10.602900     -3.254457      3.432083
  C      -9.662355     -3.287776      4.488573
  C      -8.816665     -2.220321      4.709290
  C      -8.877540     -1.074108      3.876417
  H      -3.079947      2.130134      2.250265
  H      -1.607361      1.224502      2.596262
  H      -3.849301     -0.249960      3.718151
  H      -2.773052     -0.764670      2.438516
  H      -5.875320      1.991352     -0.577414
  H      -8.154550     -1.981036     -0.281958
  H      -7.957975     -4.012737      1.162669
  H      -6.160237     -4.158158      2.875756
  H      -4.555840     -2.308407      3.172461
  H      -5.171693      5.805706      4.913590
  H      -4.509515      6.581449      6.364439
  H      -3.721353      7.818449      4.465700
  H      -2.307733      6.916125      5.058533
  H      -5.088695      6.044022      0.556145
  H      -1.374800      3.387672      0.081592
  H       0.628941      2.899995      1.496639
  H       0.851390      3.939000      3.749051
  H      -0.892627      5.461287      4.603803
  H      -7.510076      1.847672      6.360818
  H      -7.001703      2.313185      4.729226
  H      -6.019428     -0.122554      4.579143
  H      -7.144459     -0.502254      5.882257
  H      -9.106755      1.854685      1.475514
  H     -11.400334     -2.107522      1.779171
  H     -11.266423     -4.107073      3.276686
  H      -9.606823     -4.166785      5.132791
  H      -8.092989     -2.269565      5.523002
  N      -4.969165      3.330168      3.516033
  N      -5.515823      3.455467      2.440834
  H      -5.044942      2.846017      1.708960
89
Coordinates from ORCA-job orca E -6140.466961272490
  N      -2.663617      1.888356      4.261786
  Mo     -4.100860      2.969439      5.081876
  N      -5.424981      1.887788      6.024687
  C      -5.120713      1.351743      7.351771
  C      -3.618594      1.166984      7.484159
  N      -2.918718      2.345908      6.902079
  C      -1.553143      1.999244      6.422530
  C      -1.663968      1.243766      5.109868
  C      -2.898851      3.503953      7.838546
  C      -2.761162      4.783204      7.027580
  N      -3.686515      4.712190      5.895868
  H      -0.683719      1.250426      4.600711
  H      -1.915939      0.177504      5.276551
  H      -1.017453      2.943040      6.249874
  H      -1.006267      1.426288      7.189298
  H      -3.010720      5.644551      7.669896
  H      -1.717656      4.932822      6.693875
  H      -3.861523      3.519616      8.366807
  H      -2.093488      3.382212      8.582361
  H      -5.613361      0.376389      7.499629
  H      -5.516920      2.025045      8.135428
  H      -3.310920      0.287917      6.902344
  H      -3.308169      1.013166      8.530783
  C      -2.668727      1.381440      2.887539
  C      -3.460955      0.066187      2.723744
  C      -4.611080      0.083898      1.738248
  N      -4.801673      1.148254      0.967128
  C      -5.805512      1.095398      0.040834
  N      -6.641666      0.107142     -0.171828
  C      -6.495154     -0.990989      0.630873
  C      -7.397067     -2.071868      0.484917
  C      -7.278302     -3.183372      1.293120
  C      -6.252707     -3.260913      2.263724
  C      -5.355076     -2.223288      2.421740
  C      -5.462776     -1.059829      1.618944
  C      -4.248787      5.991793      5.462576
  C      -3.281720      6.823720      4.581858
  C      -3.167062      6.201612      3.221481
  N      -4.171573      6.456108      2.389160
  C      -4.171327      5.819966      1.190719
  N      -3.271484      4.966032      0.732789
  C      -2.215212      4.706925      1.558418
  C      -1.197695      3.823814      1.118121
  C      -0.108754      3.565976      1.922796
  C       0.001629      4.164170      3.201102
  C      -0.979158      5.018492      3.660468
  C      -2.105965      5.317105      2.851173
  C      -6.787243      1.643170      5.548921
  C      -6.982683      0.200666      5.056028
  C      -8.068265      0.080469      4.012330
  N      -8.184432      1.091928      3.164493
  C      -9.117756      0.996474      2.182161
  N      -9.946754     -0.003618      1.966465
  C      -9.841637     -1.067320      2.818571
  C     -10.682715     -2.188671      2.617075
  C     -10.576197     -3.290572      3.439959
  C      -9.632630     -3.311933      4.494065
  C      -8.805057     -2.231024      4.717002
  C      -8.887740     -1.082643      3.889099
  H      -3.102053      2.141001      2.225536
  H      -1.626291      1.236419      2.561403
  H      -3.857994     -0.234848      3.707832
  H      -2.789601     -0.754785      2.423527
  H      -5.910064      1.986815     -0.585523
  H      -8.184960     -1.985552     -0.263778
  H      -7.984446     -4.008700      1.192529
  H      -6.176081     -4.147429      2.894987
  H      -4.568839     -2.297738      3.173452
  H      -5.169354      5.814488      4.892072
  H      -4.524676      6.580612      6.354721
  H      -3.715092      7.826903      4.464061
  H      -2.308332      6.928220      5.078204
  H      -5.015757      6.050317      0.533256
  H      -1.306807      3.374070      0.130236
  H       0.681967      2.900415      1.571903
  H       0.876370      3.955047      3.819167
  H      -0.884585      5.476011      4.645414
  H      -7.511802      1.871193      6.350807
  H      -7.005354      2.317921      4.713603
  H      -6.041563     -0.125424      4.580784
  H      -7.162579     -0.486417      5.891904
  H      -9.170313      1.847237      1.495705
  H     -11.398931     -2.149915      1.795351
  H     -11.223127     -4.154778      3.280559
  H      -9.559249     -4.193397      5.133015
  H      -8.076578     -2.271787      5.526803
  N      -4.978141      3.340489      3.498729
  N      -5.520976      3.471931      2.422791
  H      -5.061805      2.849845      1.694636
89
Coordinates from ORCA-job orca E -6140.467061396599
  N      -2.671781      1.909130      4.223137
  Mo     -4.109988      2.979967      5.059292
  N      -5.421236      1.879185      5.997504
  C      -5.104333      1.320005      7.311841
  C      -3.599427      1.149098      7.431769
  N      -2.915836      2.344811      6.865084
  C      -1.547542      2.022733      6.376899
  C      -1.654136      1.277518      5.058361
  C      -2.906861      3.488852      7.818289
  C      -2.786097      4.781995      7.028568
  N      -3.704940      4.715228      5.892913
  H      -0.677760      1.305861      4.542369
  H      -1.885038      0.205354      5.218246
  H      -1.026119      2.975628      6.210839
  H      -0.988335      1.450212      7.135088
  H      -3.055627      5.627392      7.684260
  H      -1.743548      4.957296      6.703852
  H      -3.867830      3.484485      8.349861
  H      -2.097650      3.365510      8.557637
  H      -5.585593      0.336499      7.442262
  H      -5.503098      1.972377      8.111793
  H      -3.285456      0.283631      6.833258
  H      -3.280000      0.981672      8.473613
  C      -2.689000      1.400605      2.850082
  C      -3.474556      0.079063      2.707199
  C      -4.631374      0.078577      1.730663
  N      -4.841124      1.137317      0.956680
  C      -5.851386      1.067455      0.037612
  N      -6.677948      0.069066     -0.162802
  C      -6.513194     -1.022863      0.644805
  C      -7.402590     -2.115485      0.510258
  C      -7.262175     -3.222706      1.321070
  C      -6.228748     -3.282685      2.284279
  C      -5.343207     -2.233152      2.431003
  C      -5.470855     -1.075336      1.623421
  C      -4.257540      5.999900      5.460480
  C      -3.278260      6.836822      4.600589
  C      -3.138591      6.219125      3.241310
  N      -4.128606      6.474799      2.392301
  C      -4.108979      5.839051      1.193831
  N      -3.205528      4.980110      0.752754
  C      -2.164879      4.717995      1.596772
  C      -1.143451      3.829768      1.176183
  C      -0.065578      3.575083      1.996716
  C       0.028103      4.179270      3.273265
  C      -0.958999      5.035247      3.715806
  C      -2.073744      5.332075      2.889172
  C      -6.786292      1.641772      5.528156
  C      -6.996105      0.196807      5.049365
  C      -8.082390      0.075359      4.006678
  N      -8.201557      1.084427      3.156666
  C      -9.141290      0.987654      2.180138
  N      -9.975212     -0.010289      1.974846
  C      -9.867020     -1.071851      2.829505
  C     -10.719636     -2.186977      2.643139
  C     -10.615282     -3.284218      3.472576
  C      -9.659185     -3.308048      4.515392
  C      -8.820485     -2.232689      4.723366
  C      -8.904024     -1.087399      3.891496
  H      -3.136415      2.154919      2.190547
  H      -1.650453      1.260308      2.509670
  H      -3.863087     -0.210341      3.698395
  H      -2.801151     -0.742727      2.414094
  H      -5.971369      1.954644     -0.592059
  H      -8.196286     -2.042818     -0.233696
  H      -7.955538     -4.059255      1.226479
  H      -6.135516     -4.165676      2.918194
  H      -4.549967     -2.294763      3.176533
  H      -5.171350      5.830440      4.877060
  H      -4.543639      6.580213      6.355113
  H      -3.713449      7.838830      4.478297
  H      -2.314187      6.942741      5.114535
  H      -4.939229      6.075026      0.520470
  H      -1.239989      3.375654      0.189070
  H       0.729525      2.907658      1.659599
  H       0.895367      3.974312      3.903160
  H      -0.879443      5.496651      4.700265
  H      -7.506273      1.883292      6.330389
  H      -7.002316      2.312049      4.688608
  H      -6.058201     -0.147936      4.580094
  H      -7.186630     -0.478574      5.892548
  H      -9.197825      1.836048      1.491099
  H     -11.445449     -2.145817      1.830057
  H     -11.274889     -4.141560      3.328377
  H      -9.587743     -4.185827      5.159577
  H      -8.085463     -2.273585      5.527269
  N      -4.985616      3.359008      3.475047
  N      -5.511907      3.501138      2.392601
  H      -5.057779      2.862269      1.674903
89
Coordinates from ORCA-job orca E -6140.467160555234
  N      -2.675989      1.919675      4.190255
  Mo     -4.116471      2.981253      5.035407
  N      -5.421170      1.874142      5.973776
  C      -5.096613      1.298599      7.278761
  C      -3.590140      1.137092      7.391588
  N      -2.916068      2.341991      6.833716
  C      -1.545870      2.033389      6.342183
  C      -1.648165      1.295284      5.018301
  C      -2.916860      3.479180      7.795241
  C      -2.802431      4.779015      7.015608
  N      -3.715460      4.714967      5.875117
  H      -0.673852      1.337961      4.499403
  H      -1.865929      0.219323      5.171468
  H      -1.031381      2.990959      6.181896
  H      -0.981085      1.460297      7.095802
  H      -3.082349      5.616430      7.677444
  H      -1.759975      4.966354      6.698020
  H      -3.879203      3.464705      8.324081
  H      -2.108779      3.355356      8.535812
  H      -5.569199      0.309233      7.395333
  H      -5.499004      1.935719      8.089209
  H      -3.272372      0.279857      6.783426
  H      -3.265351      0.961842      8.430428
  C      -2.702422      1.411133      2.817353
  C      -3.484459      0.086378      2.683730
  C      -4.651510      0.082577      1.719771
  N      -4.871187      1.141049      0.948406
  C      -5.894496      1.070976      0.043625
  N      -6.724355      0.073052     -0.144686
  C      -6.547908     -1.019334      0.659823
  C      -7.439251     -2.111770      0.538039
  C      -7.287106     -3.219189      1.346599
  C      -6.239368     -3.279554      2.294029
  C      -5.351873     -2.229850      2.428101
  C      -5.491635     -1.071744      1.623221
  C      -4.270082      5.999363      5.443759
  C      -3.282722      6.846758      4.602219
  C      -3.111107      6.225461      3.248398
  N      -4.082926      6.474809      2.376677
  C      -4.036854      5.831525      1.183147
  N      -3.124981      4.968140      0.768507
  C      -2.100742      4.714816      1.634937
  C      -1.066380      3.829845      1.239752
  C       0.000594      3.592224      2.079173
  C       0.071052      4.211460      3.349869
  C      -0.929678      5.063447      3.768677
  C      -2.034977      5.341553      2.922625
  C      -6.790465      1.645911      5.511939
  C      -7.016380      0.197676      5.052648
  C      -8.107961      0.071028      4.016285
  N      -8.240508      1.078944      3.167213
  C      -9.185069      0.973412      2.196082
  N     -10.010358     -0.032510      1.995084
  C      -9.887962     -1.093071      2.849124
  C     -10.728255     -2.217751      2.664746
  C     -10.607223     -3.314844      3.492171
  C      -9.647658     -3.328057      4.531941
  C      -8.820995     -2.243167      4.737767
  C      -8.920350     -1.098774      3.906540
  H      -3.160462      2.162476      2.161393
  H      -1.666858      1.275370      2.466411
  H      -3.861559     -0.202387      3.679526
  H      -2.811243     -0.733539      2.385007
  H      -6.021886      1.957598     -0.585356
  H      -8.244001     -2.038564     -0.193827
  H      -7.983005     -4.054904      1.263420
  H      -6.137021     -4.162435      2.926648
  H      -4.547616     -2.291788      3.161701
  H      -5.174823      5.828188      4.847118
  H      -4.572873      6.571543      6.338278
  H      -3.725220      7.844163      4.470480
  H      -2.330069      6.962847      5.134970
  H      -4.850745      6.065318      0.489351
  H      -1.141951      3.368669      0.253814
  H       0.806960      2.929450      1.760183
  H       0.932415      4.023384      3.992955
  H      -0.868420      5.538402      4.747741
  H      -7.505346      1.904664      6.313465
  H      -7.002593      2.308250      4.665081
  H      -6.083725     -0.164114      4.585741
  H      -7.211004     -0.464634      5.905261
  H      -9.253792      1.820662      1.506818
  H     -11.457060     -2.184618      1.854030
  H     -11.255945     -4.180334      3.348240
  H      -9.563271     -4.205962      5.174330
  H      -8.081335     -2.276383      5.537683
  N      -4.993702      3.364365      3.453143
  N      -5.517504      3.513708      2.369999
  H      -5.070263      2.870475      1.654637
89
Coordinates from ORCA-job orca E -6140.467246533748
  N      -2.676892      1.936157      4.155439
  Mo     -4.123825      2.983903      5.009006
  N      -5.418442      1.864750      5.946163
  C      -5.085904      1.274076      7.241787
  C      -3.578130      1.124376      7.347728
  N      -2.915860      2.340038      6.799797
  C      -1.543244      2.046419      6.305979
  C      -1.639683      1.318040      4.975847
  C      -2.928698      3.469116      7.770657
  C      -2.823273      4.776594      7.002725
  N      -3.729570      4.715956      5.856701
  H      -0.667284      1.376450      4.455052
  H      -1.844087      0.238158      5.120376
  H      -1.035253      3.008670      6.154003
  H      -0.974268      1.471162      7.054738
  H      -3.113834      5.605188      7.671424
  H      -1.781257      4.976564      6.692703
  H      -3.892135      3.441893      8.296799
  H      -2.121314      3.345824      8.512083
  H      -5.548612      0.278622      7.344650
  H      -5.492517      1.895540      8.062315
  H      -3.255295      0.276519      6.729112
  H      -3.247977      0.940909      8.383437
  C      -2.708318      1.431217      2.781267
  C      -3.483176      0.101254      2.652102
  C      -4.662191      0.093599      1.703213
  N      -4.894464      1.151823      0.935510
  C      -5.933671      1.081633      0.048776
  N      -6.767370      0.084072     -0.124299
  C      -6.575778     -1.009242      0.675568
  C      -7.467517     -2.102810      0.568070
  C      -7.298540     -3.211749      1.371323
  C      -6.233536     -3.272165      2.299267
  C      -5.345911     -2.220793      2.419565
  C      -5.502462     -1.061491      1.619692
  C      -4.283747      6.000956      5.425924
  C      -3.289680      6.857377      4.600028
  C      -3.084548      6.229781      3.253977
  N      -4.036726      6.470924      2.358262
  C      -3.964740      5.815799      1.172561
  N      -3.048563      4.942291      0.790126
  C      -2.042190      4.700188      1.680149
  C      -1.000790      3.809963      1.316984
  C       0.054413      3.590440      2.175706
  C       0.106823      4.235747      3.434242
  C      -0.902890      5.090970      3.823554
  C      -1.998857      5.347054      2.958447
  C      -6.791916      1.643944      5.492473
  C      -7.035128      0.192547      5.053441
  C      -8.132269      0.062146      4.023077
  N      -8.277531      1.068838      3.174894
  C      -9.231047      0.957876      2.212803
  N     -10.052758     -0.052631      2.019965
  C      -9.916571     -1.112396      2.873046
  C     -10.751226     -2.242432      2.695872
  C     -10.615102     -3.339038      3.521776
  C      -9.646451     -3.345838      4.553137
  C      -8.825499     -2.255350      4.751999
  C      -8.939725     -1.111858      3.921557
  H      -3.177308      2.179644      2.130149
  H      -1.674746      1.303891      2.421988
  H      -3.846748     -0.191364      3.651679
  H      -2.808094     -0.713548      2.343654
  H      -6.071223      1.968036     -0.578278
  H      -8.285383     -2.029525     -0.149126
  H      -7.994619     -4.048345      1.299389
  H      -6.117596     -4.156457      2.927601
  H      -4.527769     -2.283214      3.137671
  H      -5.180648      5.829701      4.817844
  H      -4.599643      6.566995      6.319946
  H      -3.741242      7.848689      4.454998
  H      -2.349690      6.987150      5.151789
  H      -4.759755      6.046991      0.456440
  H      -1.060330      3.333386      0.337195
  H       0.867200      2.924664      1.880043
  H       0.962133      4.066240      4.090489
  H      -0.855288      5.588240      4.792149
  H      -7.501754      1.920419      6.292848
  H      -7.000592      2.297463      4.637879
  H      -6.108447     -0.188672      4.590088
  H      -7.236292     -0.455238      5.915778
  H      -9.312263      1.804504      1.524287
  H     -11.487299     -2.214079      1.891556
  H     -11.258889     -4.209063      3.382898
  H      -9.550697     -4.223474      5.194308
  H      -8.078100     -2.283451      5.544893
  N      -5.004472      3.373573      3.430719
  N      -5.527330      3.532446      2.347770
  H      -5.101292      2.871244      1.636589
89
Coordinates from ORCA-job orca E -6140.467358037330
  N      -2.678768      1.949020      4.115452
  Mo     -4.130731      2.979910      4.980963
  N      -5.410719      1.845775      5.918274
  C      -5.067467      1.244151      7.205497
  C      -3.558110      1.108193      7.302724
  N      -2.910656      2.335383      6.762539
  C      -1.536599      2.059400      6.262806
  C      -1.629076      1.339661      4.926831
  C      -2.937484      3.456526      7.742469
  C      -2.843884      4.771705      6.985317
  N      -3.744152      4.712508      5.833922
  H      -0.660322      1.415867      4.401721
  H      -1.817676      0.255779      5.063335
  H      -1.037529      3.027307      6.117177
  H      -0.960607      1.483832      7.005921
  H      -3.144393      5.591632      7.660612
  H      -1.803061      4.984388      6.681461
  H      -3.902181      3.415005      8.265121
  H      -2.131256      3.335208      8.485476
  H      -5.519759      0.243077      7.298570
  H      -5.477078      1.852620      8.034331
  H      -3.230079      0.269226      6.674705
  H      -3.221281      0.918412      8.335114
  C      -2.719316      1.443474      2.741097
  C      -3.487853      0.108464      2.619373
  C      -4.683088      0.095618      1.690088
  N      -4.932315      1.151627      0.924944
  C      -5.989956      1.078411      0.060565
  N      -6.825939      0.079490     -0.093162
  C      -6.614054     -1.013547      0.702045
  C      -7.505204     -2.109312      0.614403
  C      -7.316285     -3.217369      1.414388
  C      -6.230502     -3.275296      2.318306
  C      -5.343217     -2.221356      2.419149
  C      -5.521161     -1.062208      1.623430
  C      -4.304310      5.995218      5.403154
  C      -3.308359      6.866418      4.592989
  C      -3.061141      6.233130      3.256446
  N      -3.994023      6.452881      2.334948
  C      -3.885131      5.785562      1.158691
  N      -2.952877      4.914179      0.811851
  C      -1.964863      4.696247      1.728244
  C      -0.905818      3.812232      1.402105
  C       0.134756      3.621287      2.284783
  C       0.156973      4.293691      3.530099
  C      -0.871145      5.142013      3.884154
  C      -1.955859      5.364099      2.995781
  C      -6.790836      1.636329      5.477609
  C      -7.055095      0.185460      5.051833
  C      -8.164059      0.060370      4.033330
  N      -8.324478      1.072182      3.194585
  C      -9.288661      0.962829      2.242849
  N     -10.106162     -0.051450      2.051170
  C      -9.954156     -1.116768      2.894987
  C     -10.780535     -2.252670      2.716159
  C     -10.625724     -3.355362      3.530842
  C      -9.647789     -3.361878      4.553299
  C      -8.834404     -2.266004      4.753360
  C      -8.966427     -1.117164      3.933064
  H      -3.202485      2.186805      2.094608
  H      -1.688657      1.325035      2.371457
  H      -3.835541     -0.186798      3.623683
  H      -2.812359     -0.701879      2.300251
  H      -6.141590      1.963321     -0.565221
  H      -8.338860     -2.038090     -0.084637
  H      -8.012984     -4.054800      1.359226
  H      -6.098063     -4.159540      2.943529
  H      -4.509042     -2.281594      3.118772
  H      -5.191214      5.817148      4.782699
  H      -4.637737      6.554599      6.295071
  H      -3.774081      7.848564      4.432875
  H      -2.383308      7.016412      5.164587
  H      -4.662764      6.001916      0.419105
  H      -0.938961      3.320395      0.428459
  H       0.961477      2.960939      2.016735
  H       1.004009      4.151093      4.203300
  H      -0.845659      5.662784      4.841146
  H      -7.491906      1.926866      6.280930
  H      -6.998485      2.285597      4.619395
  H      -6.137805     -0.212724      4.584139
  H      -7.257812     -0.453225      5.920698
  H      -9.383315      1.814405      1.562068
  H     -11.523917     -2.224564      1.918553
  H     -11.261375     -4.230893      3.389076
  H      -9.537587     -4.244452      5.185327
  H      -8.077764     -2.294569      5.537397
  N      -5.014402      3.375583      3.407317
  N      -5.530853      3.543472      2.322044
  H      -5.110263      2.877199      1.613914
89
Coordinates from ORCA-job orca E -6140.467455574169
  N      -2.673554      1.955818      4.075567
  Mo     -4.132375      2.970992      4.948289
  N      -5.397880      1.822119      5.887071
  C      -5.045395      1.218802      7.170543
  C      -3.535089      1.094077      7.260476
  N      -2.900448      2.329807      6.723988
  C      -1.525651      2.067027      6.219932
  C      -1.615856      1.352181      4.881047
  C      -2.938207      3.446242      7.708967
  C      -2.858210      4.766028      6.957822
  N      -3.756192      4.705252      5.804683
  H      -0.649740      1.439994      4.353122
  H      -1.794462      0.265961      5.012635
  H      -1.033410      3.039018      6.077560
  H      -0.944964      1.491993      6.959798
  H      -3.162854      5.581616      7.636535
  H      -1.819311      4.985667      6.653347
  H      -3.901968      3.391599      8.232001
  H      -2.130237      3.330161      8.450798
  H      -5.490525      0.214418      7.262399
  H      -5.455792      1.822199      8.002755
  H      -3.203202      0.260951      6.626656
  H      -3.193024      0.901442      8.290647
  C      -2.719332      1.448606      2.700898
  C      -3.483402      0.110137      2.583178
  C      -4.698421      0.096085      1.678792
  N      -4.966949      1.151346      0.919486
  C      -6.044887      1.076731      0.081001
  N      -6.883193      0.076604     -0.052776
  C      -6.647900     -1.018071      0.733518
  C      -7.535195     -2.118270      0.662542
  C      -7.320128     -3.229541      1.451157
  C      -6.211430     -3.286541      2.327273
  C      -5.328312     -2.227694      2.412650
  C      -5.533009     -1.065168      1.628051
  C      -4.330039      5.984163      5.381090
  C      -3.341938      6.875627      4.582251
  C      -3.048221      6.239591      3.256441
  N      -3.964371      6.427708      2.311291
  C      -3.816591      5.744711      1.147901
  N      -2.864672      4.880205      0.839521
  C      -1.894006      4.695870      1.781349
  C      -0.819857      3.814845      1.499343
  C       0.203734      3.655734      2.407769
  C       0.195783      4.363306      3.633931
  C      -0.848075      5.209244      3.944902
  C      -1.919847      5.391264      3.032704
  C      -6.785013      1.623190      5.462339
  C      -7.068453      0.174482      5.043677
  C      -8.191562      0.058842      4.038754
  N      -8.365733      1.077776      3.211956
  C      -9.342819      0.975264      2.272495
  N     -10.161422     -0.038649      2.082741
  C      -9.996821     -1.110648      2.915997
  C     -10.825357     -2.245668      2.740679
  C     -10.658521     -3.354106      3.545372
  C      -9.665828     -3.367883      4.553319
  C      -8.849749     -2.273172      4.749731
  C      -8.994654     -1.118328      3.940088
  H      -3.210883      2.188025      2.055856
  H      -1.689764      1.335049      2.327152
  H      -3.811989     -0.192734      3.591651
  H      -2.809455     -0.694345      2.246530
  H      -6.213567      1.961470     -0.540643
  H      -8.385539     -2.048339     -0.016346
  H      -8.012904     -4.070863      1.407733
  H      -6.057262     -4.174637      2.942120
  H      -4.476147     -2.287257      3.090360
  H      -5.210552      5.798016      4.754017
  H      -4.674333      6.535607      6.273759
  H      -3.830813      7.843345      4.404788
  H      -2.433033      7.055297      5.171194
  H      -4.578176      5.938247      0.385605
  H      -0.826634      3.301676      0.536242
  H       1.041742      2.996641      2.173607
  H       1.032319      4.249810      4.325602
  H      -0.841913      5.760947      4.884964
  H      -7.475736      1.922350      6.271533
  H      -6.995318      2.271800      4.604017
  H      -6.161589     -0.237328      4.566953
  H      -7.270440     -0.459029      5.916712
  H      -9.447475      1.833158      1.601064
  H     -11.580111     -2.211976      1.953977
  H     -11.296326     -4.228801      3.406804
  H      -9.546168     -4.255142      5.177090
  H      -8.081544     -2.307219      5.522220
  N      -5.021357      3.372119      3.381141
  N      -5.534288      3.549738      2.295241
  H      -5.121392      2.877835      1.588809
89
Coordinates from ORCA-job orca E -6140.467501783102
  N      -2.672120      1.944284      4.104019
  Mo     -4.131298      2.963193      4.968731
  N      -5.398403      1.814739      5.907863
  C      -5.052159      1.234149      7.203673
  C      -3.543093      1.102449      7.300104
  N      -2.901571      2.329828      6.752285
  C      -1.528466      2.054657      6.250088
  C      -1.623685      1.332141      4.916072
  C      -2.932939      3.455443      7.726924
  C      -2.846877      4.767349      6.962712
  N      -3.750857      4.702767      5.813922
  H      -0.655541      1.405561      4.389855
  H      -1.815889      0.249164      5.054024
  H      -1.029704      3.022398      6.101224
  H      -0.952958      1.480323      6.994526
  H      -3.137933      5.593807      7.633728
  H      -1.807605      4.971084      6.648352
  H      -3.896360      3.410271      8.251554
  H      -2.124667      3.342751      8.468917
  H      -5.505231      0.235252      7.315523
  H      -5.459638      1.857628      8.022333
  H      -3.213649      0.260420      6.676875
  H      -3.206213      0.919465      8.333763
  C      -2.708928      1.439086      2.727696
  C      -3.472445      0.102087      2.595452
  C      -4.683528      0.094941      1.684788
  N      -4.946531      1.152628      0.926767
  C      -6.019055      1.082060      0.081665
  N      -6.857008      0.082644     -0.060977
  C      -6.627089     -1.014839      0.723019
  C      -7.514710     -2.114267      0.642887
  C      -7.305638     -3.228168      1.429155
  C      -6.202324     -3.289339      2.312064
  C      -5.318976     -2.231552      2.406687
  C      -5.518314     -1.065897      1.624943
  C      -4.324570      5.981342      5.390682
  C      -3.343723      6.865855      4.574822
  C      -3.067821      6.234882      3.242478
  N      -4.000908      6.417121      2.313105
  C      -3.865831      5.738145      1.145480
  N      -2.911327      4.883052      0.819679
  C      -1.925385      4.703066      1.746568
  C      -0.854456      3.822519      1.450053
  C       0.179376      3.660772      2.346513
  C       0.185537      4.366336      3.574091
  C      -0.853970      5.212978      3.897939
  C      -1.936561      5.395953      2.999220
  C      -6.784625      1.609060      5.482451
  C      -7.055831      0.163654      5.043624
  C      -8.177091      0.056481      4.034982
  N      -8.340702      1.078256      3.209554
  C      -9.315553      0.985912      2.266886
  N     -10.141565     -0.020944      2.071657
  C      -9.988306     -1.095743      2.903270
  C     -10.826059     -2.223417      2.723798
  C     -10.672049     -3.334065      3.527951
  C      -9.682911     -3.358016      4.539123
  C      -8.857504     -2.270896      4.739623
  C      -8.989601     -1.113675      3.930968
  H      -3.193665      2.181039      2.080049
  H      -1.675392      1.325065      2.364953
  H      -3.807045     -0.210845      3.598944
  H      -2.796685     -0.698968      2.254417
  H      -6.184135      1.969113     -0.537739
  H      -8.360611     -2.041557     -0.041306
  H      -7.998681     -4.068787      1.378051
  H      -6.052437     -4.180173      2.924073
  H      -4.471414     -2.294041      3.089865
  H      -5.213820      5.794465      4.776243
  H      -4.652621      6.542634      6.283089
  H      -3.831781      7.835404      4.404484
  H      -2.425057      7.041705      5.149680
  H      -4.642364      5.924477      0.396814
  H      -0.873307      3.309153      0.487396
  H       1.013280      2.999980      2.102567
  H       1.028590      4.249113      4.257156
  H      -0.834451      5.762710      4.839227
  H      -7.477017      1.890987      6.296131
  H      -7.001108      2.266387      4.632289
  H      -6.145378     -0.233039      4.561100
  H      -7.254193     -0.483761      5.907254
  H      -9.410149      1.846704      1.597789
  H     -11.577903     -2.182099      1.934630
  H     -11.317321     -4.203012      3.386603
  H      -9.572995     -4.246828      5.162549
  H      -8.092801     -2.312879      5.515220
  N      -5.021755      3.362643      3.403290
  N      -5.537911      3.536694      2.318386
  H      -5.112217      2.874996      1.608867
89
Coordinates from ORCA-job orca E -6140.467214317347
  N      -2.641977      1.866477      4.166871
  Mo     -4.107916      2.926796      4.977885
  N      -5.411999      1.812555      5.913430
  C      -5.098880      1.239275      7.220949
  C      -3.593938      1.086445      7.344441
  N      -2.923789      2.295268      6.792767
  C      -1.545334      1.990839      6.327173
  C      -1.626048      1.248246      5.008546
  C      -2.948226      3.434199      7.749438
  C      -2.839256      4.734354      6.974502
  N      -3.730346      4.667044      5.819175
  H      -0.644220      1.291480      4.504502
  H      -1.843975      0.172748      5.165120
  H      -1.028228      2.947013      6.172898
  H      -0.994122      1.418703      7.091415
  H      -3.136119      5.568714      7.632667
  H      -1.793900      4.930773      6.671865
  H      -3.916105      3.406353      8.267407
  H      -2.146321      3.323388      8.498387
  H      -5.565717      0.246479      7.333642
  H      -5.512451      1.873163      8.028374
  H      -3.266691      0.232363      6.736582
  H      -3.275635      0.912378      8.385502
  C      -2.658071      1.334443      2.806349
  C      -3.459474      0.020094      2.698490
  C      -4.638276      0.040266      1.756879
  N      -4.833715      1.102683      0.985378
  C      -5.878225      1.068387      0.102719
  N      -6.754148      0.104953     -0.054256
  C      -6.603791     -0.987959      0.755384
  C      -7.533197     -2.050210      0.654326
  C      -7.391691     -3.167668      1.451026
  C      -6.324363     -3.263867      2.372709
  C      -5.404329     -2.241762      2.490945
  C      -5.525114     -1.079322      1.690165
  C      -4.289455      5.956518      5.409428
  C      -3.313797      6.866057      4.622810
  C      -3.071350      6.300681      3.257814
  N      -4.029205      6.536894      2.367200
  C      -3.925981      5.934473      1.157068
  N      -2.979285      5.108129      0.749314
  C      -1.960298      4.886225      1.629028
  C      -0.891477      4.045524      1.238347
  C       0.173918      3.838180      2.088084
  C       0.209126      4.452483      3.362690
  C      -0.830393      5.258015      3.779289
  C      -1.943092      5.487306      2.929635
  C      -6.783478      1.598287      5.454965
  C      -7.047376      0.140771      5.034766
  C      -8.130700      0.010186      3.986550
  N      -8.257433      1.009911      3.124741
  C      -9.207055      0.901316      2.157530
  N     -10.046860     -0.096145      1.976185
  C      -9.933704     -1.145398      2.844181
  C     -10.802631     -2.253142      2.691265
  C     -10.699668     -3.335411      3.539957
  C      -9.725149     -3.353534      4.565869
  C      -8.872904     -2.282793      4.743080
  C      -8.959497     -1.150350      3.894535
  H      -3.090116      2.077269      2.131110
  H      -1.622743      1.171753      2.469585
  H      -3.822124     -0.256941      3.702081
  H      -2.804437     -0.810539      2.387969
  H      -5.986596      1.957892     -0.525373
  H      -8.350072     -1.950229     -0.060889
  H      -8.108701     -3.985314      1.374602
  H      -6.229257     -4.156057      2.992994
  H      -4.581434     -2.335253      3.200164
  H      -5.182470      5.795555      4.792511
  H      -4.613550      6.494162      6.318124
  H      -3.805946      7.841295      4.499957
  H      -2.389643      7.018806      5.194756
  H      -4.730842      6.152990      0.449405
  H      -0.948950      3.585250      0.251707
  H       1.004581      3.203357      1.774753
  H       1.073843      4.298586      4.010491
  H      -0.789969      5.738554      4.756264
  H      -7.494368      1.899023      6.246023
  H      -6.978060      2.240858      4.588817
  H      -6.121823     -0.268114      4.592666
  H      -7.277900     -0.486633      5.904915
  H      -9.272926      1.741596      1.460568
  H     -11.542909     -2.216204      1.891203
  H     -11.376606     -4.184201      3.425891
  H      -9.656739     -4.219468      5.226050
  H      -8.128334     -2.313804      5.538655
  N      -4.987866      3.302903      3.394303
  N      -5.526104      3.458888      2.316107
  H      -5.149794      2.759161      1.594411
89
Coordinates from ORCA-job orca E -6140.467220043109
  N      -2.711781      1.929773      4.131274
  Mo     -4.147184      2.983171      5.001226
  N      -5.430234      1.851313      5.944437
  C      -5.089429      1.252472      7.233283
  C      -3.582815      1.088357      7.316719
  N      -2.921254      2.306327      6.773147
  C      -1.556882      2.010633      6.264846
  C      -1.673699      1.296134      4.934520
  C      -2.919522      3.425347      7.753137
  C      -2.811832      4.739106      7.001358
  N      -3.726855      4.707373      5.861707
  H      -0.705898      1.347922      4.404933
  H      -1.889840      0.218552      5.077919
  H      -1.042332      2.969031      6.117273
  H      -0.987742      1.421283      7.002505
  H      -3.077904      5.566735      7.680488
  H      -1.770483      4.922218      6.677986
  H      -3.878606      3.394372      8.287010
  H      -2.105329      3.293521      8.485233
  H      -5.560540      0.261239      7.342019
  H      -5.478465      1.876495      8.060336
  H      -3.276092      0.244159      6.684775
  H      -3.240733      0.892428      8.346181
  C      -2.764595      1.400115      2.769331
  C      -3.493684      0.039881      2.690173
  C      -4.696538     -0.041431      1.780292
  N      -4.998495      0.987121      0.996218
  C      -6.048459      0.848047      0.130056
  N      -6.834854     -0.192459     -0.002502
  C      -6.577303     -1.254462      0.821053
  C      -7.410752     -2.395607      0.749027
  C      -7.161721     -3.483278      1.560147
  C      -6.076230     -3.471852      2.465598
  C      -5.248157     -2.371253      2.555807
  C      -5.483555     -1.234921      1.742694
  C      -4.234982      6.019364      5.461271
  C      -3.232732      6.892378      4.668443
  C      -3.026676      6.327773      3.295791
  N      -3.982134      6.606318      2.414927
  C      -3.906849      6.016578      1.196355
  N      -2.995437      5.159544      0.773690
  C      -1.977695      4.893538      1.642916
  C      -0.947086      4.012370      1.237656
  C       0.107542      3.743677      2.083530
  C       0.172512      4.340404      3.365617
  C      -0.828078      5.187743      3.793951
  C      -1.931926      5.476084      2.951287
  C      -6.812763      1.654235      5.511325
  C      -7.082141      0.218005      5.023037
  C      -8.180836      0.138348      3.985222
  N      -8.331239      1.185354      3.184293
  C      -9.292248      1.120972      2.224461
  N     -10.117142      0.122306      1.990247
  C      -9.975035     -0.976309      2.789196
  C     -10.812934     -2.095668      2.565075
  C     -10.671057     -3.230885      3.334621
  C      -9.692750     -3.290468      4.355115
  C      -8.870986     -2.209950      4.602298
  C      -8.992888     -1.026914      3.830754
  H      -3.250100      2.120748      2.110486
  H      -1.735225      1.284984      2.397143
  H      -3.805723     -0.254577      3.704855
  H      -2.794658     -0.748851      2.365500
  H      -6.246397      1.716863     -0.504848
  H      -8.244326     -2.377847      0.046479
  H      -7.809870     -4.359242      1.510699
  H      -5.893871     -4.342972      3.096001
  H      -4.409772     -2.381800      3.252668
  H      -5.138337      5.894001      4.850759
  H      -4.527894      6.569968      6.373007
  H      -3.685889      7.887691      4.558283
  H      -2.297197      7.002977      5.231164
  H      -4.711320      6.266296      0.499271
  H      -1.031838      3.561410      0.248776
  H       0.905163      3.071299      1.762827
  H       1.027957      4.135814      4.011627
  H      -0.762501      5.653390      4.776592
  H      -7.504712      1.916954      6.332167
  H      -7.027997      2.334652      4.679682
  H      -6.162489     -0.160201      4.544357
  H      -7.294851     -0.456744      5.861603
  H      -9.381411      2.002639      1.584018
  H     -11.556817     -2.027235      1.770449
  H     -11.317265     -4.092321      3.159168
  H      -9.594286     -4.197704      4.952963
  H      -8.118751     -2.274280      5.388594
  N      -5.071577      3.413953      3.458012
  N      -5.641693      3.606336      2.402931
  H      -5.326192      2.895557      1.651290
89
Coordinates from ORCA-job orca E -6140.468587832039
  N      -2.749503      1.979532      4.135571
  Mo     -4.178018      3.011481      5.025892
  N      -5.434578      1.874598      5.992186
  C      -5.077442      1.305503      7.289888
  C      -3.568132      1.156523      7.364060
  N      -2.925217      2.373050      6.791252
  C      -1.567249      2.084806      6.259721
  C      -1.693703      1.356995      4.931701
  C      -2.928222      3.505990      7.759525
  C      -2.840233      4.813707      6.986619
  N      -3.764191      4.756529      5.850903
  H      -0.733612      1.422273      4.389355
  H      -1.894295      0.276979      5.078367
  H      -1.067986      3.049731      6.094402
  H      -0.979395      1.511115      6.995411
  H      -3.103150      5.650601      7.655427
  H      -1.803509      4.996452      6.650604
  H      -3.883826      3.472485      8.299495
  H      -2.109682      3.390190      8.489666
  H      -5.539909      0.313516      7.422903
  H      -5.465745      1.945436      8.105025
  H      -3.259398      0.301278      6.748556
  H      -3.216196      0.984418      8.394405
  C      -2.805470      1.485035      2.755798
  C      -3.558199      0.142861      2.611376
  C      -4.787176      0.117105      1.722242
  N      -5.137288      1.192119      1.023113
  C      -6.205847      1.087743      0.176251
  N      -6.966136      0.037820     -0.019986
  C      -6.659700     -1.074600      0.714770
  C      -7.469509     -2.227473      0.582167
  C      -7.182281     -3.359872      1.314816
  C      -6.074730     -3.386424      2.194288
  C      -5.266542     -2.276244      2.340518
  C      -5.547374     -1.091033      1.614282
  C      -4.261825      6.049852      5.385984
  C      -3.235402      6.856925      4.552399
  C      -3.009116      6.195264      3.221965
  N      -3.942898      6.408021      2.300526
  C      -3.834487      5.733211      1.127280
  N      -2.903692      4.859637      0.784716
  C      -1.915004      4.646775      1.702717
  C      -0.866388      3.743431      1.389091
  C       0.149600      3.520674      2.293112
  C       0.163009      4.190270      3.540924
  C      -0.847796      5.067000      3.874703
  C      -1.912693      5.313087      2.970995
  C      -6.818923      1.655503      5.566910
  C      -7.064730      0.217210      5.085758
  C      -8.179428      0.112210      4.070428
  N      -8.369635      1.155239      3.275280
  C      -9.330173      1.058958      2.318470
  N     -10.117098      0.031410      2.079013
  C      -9.934141     -1.064043      2.874773
  C     -10.721312     -2.218051      2.642098
  C     -10.530523     -3.350601      3.405158
  C      -9.556653     -3.372399      4.430890
  C      -8.780871     -2.260253      4.684543
  C      -8.949903     -1.080537      3.916357
  H      -3.289018      2.235520      2.121053
  H      -1.774741      1.376251      2.381984
  H      -3.862262     -0.203301      3.612407
  H      -2.874056     -0.636369      2.236187
  H      -6.441076      1.992919     -0.391801
  H      -8.320567     -2.180976     -0.097729
  H      -7.817418     -4.242807      1.224572
  H      -5.861024     -4.293270      2.761846
  H      -4.414283     -2.312003      3.019322
  H      -5.154797      5.888165      4.768495
  H      -4.565423      6.655518      6.258395
  H      -3.663454      7.853012      4.374823
  H      -2.303198      6.983577      5.117931
  H      -4.616898      5.938788      0.390136
  H      -0.899488      3.243977      0.419401
  H       0.959519      2.832605      2.044143
  H       0.986907      4.017146      4.235205
  H      -0.818982      5.587503      4.832047
  H      -7.508749      1.905615      6.392581
  H      -7.051376      2.329725      4.734218
  H      -6.143734     -0.137427      4.591693
  H      -7.244299     -0.463366      5.927352
  H      -9.450302      1.940202      1.681304
  H     -11.462448     -2.179322      1.842841
  H     -11.132150     -4.240821      3.217666
  H      -9.417203     -4.278651      5.022125
  H      -8.024716     -2.299512      5.468447
  N      -5.097273      3.409264      3.474936
  N      -5.628716      3.572575      2.398699
  H      -5.300431      2.830857      1.702863
89
Coordinates from ORCA-job orca E -6140.469733690044
  N      -2.737290      1.953516      4.138244
  Mo     -4.173513      2.994586      5.010303
  N      -5.447207      1.863573      5.963122
  C      -5.108012      1.282758      7.259965
  C      -3.600186      1.128583      7.348215
  N      -2.946421      2.343614      6.787636
  C      -1.582736      2.049411      6.274908
  C      -1.696447      1.324056      4.945733
  C      -2.956005      3.473357      7.758210
  C      -2.857964      4.783904      6.995070
  N      -3.766095      4.734288      5.848684
  H      -0.728431      1.382875      4.417206
  H      -1.905915      0.245374      5.090412
  H      -1.075628      3.010936      6.117699
  H      -1.007163      1.470708      7.016266
  H      -3.133795      5.615313      7.665886
  H      -1.816672      4.972795      6.675635
  H      -3.916737      3.438855      8.288921
  H      -2.144481      3.354319      8.495508
  H      -5.573470      0.290062      7.378072
  H      -5.504159      1.914664      8.077577
  H      -3.287796      0.276236      6.730510
  H      -3.258020      0.950302      8.380908
  C      -2.785491      1.454438      2.762067
  C      -3.552055      0.119773      2.632770
  C      -4.780630      0.104044      1.748963
  N      -5.114954      1.181425      1.046493
  C      -6.188988      1.091202      0.204140
  N      -6.968902      0.054040      0.018767
  C      -6.681441     -1.058113      0.761619
  C      -7.512222     -2.197117      0.639795
  C      -7.240127     -3.330555      1.377013
  C      -6.131204     -3.369825      2.253577
  C      -5.303639     -2.273267      2.389530
  C      -5.564043     -1.089586      1.654200
  C      -4.249976      6.035133      5.388698
  C      -3.221984      6.856262      4.572039
  C      -2.986713      6.209673      3.237745
  N      -3.940316      6.397860      2.331649
  C      -3.832114      5.729502      1.155616
  N      -2.879886      4.888469      0.793329
  C      -1.867337      4.708383      1.691275
  C      -0.789598      3.853955      1.347927
  C       0.260288      3.676773      2.223041
  C       0.276224      4.342231      3.472544
  C      -0.765389      5.169393      3.837459
  C      -1.863531      5.369622      2.962369
  C      -6.824788      1.646306      5.519370
  C      -7.072580      0.201716      5.053850
  C      -8.177521      0.082986      4.028736
  N      -8.370034      1.119053      3.224246
  C      -9.335340      1.014352      2.272334
  N     -10.127290     -0.013174      2.049927
  C      -9.943940     -1.100290      2.856727
  C     -10.749612     -2.247020      2.652654
  C     -10.567923     -3.367985      3.434858
  C      -9.580405     -3.386388      4.447836
  C      -8.787899     -2.279916      4.674388
  C      -8.951655     -1.110042      3.890163
  H      -3.252756      2.207024      2.118129
  H      -1.754695      1.327702      2.394901
  H      -3.855149     -0.212872      3.639010
  H      -2.879197     -0.670985      2.261655
  H      -6.409864      1.997516     -0.367901
  H      -8.363638     -2.140348     -0.038868
  H      -7.885908     -4.205311      1.289591
  H      -5.930776     -4.276696      2.825848
  H      -4.450093     -2.319953      3.066077
  H      -5.139659      5.886232      4.763679
  H      -4.559330      6.629192      6.267267
  H      -3.662215      7.848091      4.398356
  H      -2.295925      6.991591      5.145238
  H      -4.631180      5.915313      0.431501
  H      -0.826285      3.358788      0.376551
  H       1.095065      3.029331      1.948670
  H       1.127525      4.208809      4.142219
  H      -0.733506      5.691890      4.793270
  H      -7.524017      1.909727      6.333120
  H      -7.044363      2.313115      4.677279
  H      -6.148128     -0.167797      4.576447
  H      -7.266624     -0.463552      5.904604
  H      -9.457424      1.887966      1.625401
  H     -11.501824     -2.210132      1.863750
  H     -11.189977     -4.250107      3.275007
  H      -9.449058     -4.283302      5.054964
  H      -8.027159     -2.313313      5.454199
  N      -5.076137      3.396956      3.448150
  N      -5.602112      3.564528      2.370536
  H      -5.313615      2.787611      1.686750
89
Coordinates from ORCA-job orca E -6140.470221525666
  N      -2.765284      1.984422      4.119270
  Mo     -4.198504      3.011348      5.010498
  N      -5.454433      1.859820      5.964171
  C      -5.105094      1.279687      7.258416
  C      -3.595719      1.132927      7.334538
  N      -2.954425      2.354206      6.774040
  C      -1.594048      2.071645      6.246172
  C      -1.717616      1.352339      4.915467
  C      -2.964111      3.478098      7.750255
  C      -2.876240      4.793100      6.996223
  N      -3.789447      4.750770      5.854420
  H      -0.753604      1.414331      4.380040
  H      -1.925440      0.273320      5.059412
  H      -1.093696      3.036489      6.088525
  H      -1.008302      1.491665      6.978467
  H      -3.148005      5.620514      7.673588
  H      -1.837082      4.984694      6.669790
  H      -3.921788      3.434521      8.285789
  H      -2.147872      3.360041      8.482368
  H      -5.565243      0.284747      7.379637
  H      -5.497930      1.909202      8.079381
  H      -3.283281      0.284767      6.710951
  H      -3.244664      0.952979      8.364025
  C      -2.822626      1.484155      2.744350
  C      -3.581003      0.144036      2.627715
  C      -4.822069      0.113242      1.764496
  N      -5.180227      1.183517      1.062560
  C      -6.260339      1.077868      0.229735
  N      -7.027450      0.030004      0.055627
  C      -6.721672     -1.073565      0.804300
  C      -7.542574     -2.221045      0.698661
  C      -7.253014     -3.345748      1.442279
  C      -6.136899     -3.367300      2.310175
  C      -5.317576     -2.263078      2.428952
  C      -5.594621     -1.088429      1.685392
  C      -4.234156      6.062494      5.386910
  C      -3.180118      6.861031      4.582119
  C      -2.942792      6.217800      3.247093
  N      -3.890811      6.417559      2.338174
  C      -3.781836      5.755906      1.158625
  N      -2.834331      4.910266      0.796127
  C      -1.826745      4.718994      1.697282
  C      -0.760299      3.850159      1.357567
  C       0.277991      3.648456      2.241509
  C       0.291734      4.303002      3.496859
  C      -0.738810      5.146153      3.857138
  C      -1.824824      5.370700      2.973020
  C      -6.828069      1.623929      5.519314
  C      -7.053036      0.181403      5.032053
  C      -8.153660      0.062301      4.001816
  N      -8.352456      1.104981      3.206899
  C      -9.316876      1.003705      2.253546
  N     -10.106196     -0.024410      2.024371
  C      -9.918927     -1.116967      2.822876
  C     -10.730951     -2.259789      2.620526
  C     -10.550846     -3.383284      3.399491
  C      -9.553759     -3.410890      4.402905
  C      -8.754500     -2.308594      4.627460
  C      -8.921729     -1.133665      3.851459
  H      -3.293351      2.233187      2.101076
  H      -1.793685      1.358603      2.372255
  H      -3.864306     -0.190462      3.639065
  H      -2.908488     -0.641886      2.245756
  H      -6.500733      1.981305     -0.338870
  H      -8.399329     -2.177974      0.025690
  H      -7.887676     -4.228738      1.362979
  H      -5.922916     -4.267836      2.887400
  H      -4.458805     -2.296350      3.099448
  H      -5.121371      5.935463      4.753771
  H      -4.534220      6.666283      6.262107
  H      -3.597900      7.862639      4.406718
  H      -2.257584      6.975786      5.164766
  H      -4.586113      5.936761      0.439467
  H      -0.798313      3.360213      0.384037
  H       1.103462      2.987567      1.971170
  H       1.131904      4.147191      4.175661
  H      -0.706792      5.659074      4.818308
  H      -7.530707      1.864477      6.337259
  H      -7.060177      2.298836      4.687139
  H      -6.122024     -0.167825      4.552124
  H      -7.240356     -0.498008      5.873184
  H      -9.441199      1.882563      1.613922
  H     -11.490078     -2.216038      1.838607
  H     -11.182829     -4.260096      3.245877
  H      -9.422843     -4.309932      5.006980
  H      -7.989945     -2.346827      5.403374
  N      -5.119500      3.424561      3.461103
  N      -5.654874      3.596700      2.390122
  H      -5.366534      2.814650      1.692479
89
Coordinates from ORCA-job orca E -6140.470818310740
  N      -2.813581      2.004400      4.126623
  Mo     -4.234534      3.032819      5.031644
  N      -5.474384      1.883859      6.008928
  C      -5.113661      1.313695      7.304146
  C      -3.602608      1.170718      7.363682
  N      -2.972804      2.388636      6.783904
  C      -1.619158      2.107422      6.238641
  C      -1.757091      1.378067      4.915190
  C      -2.976676      3.519562      7.751258
  C      -2.898895      4.831248      6.992182
  N      -3.816195      4.783962      5.854853
  H      -0.798205      1.439604      4.370361
  H      -1.961326      0.299923      5.070521
  H      -1.125023      3.072878      6.066155
  H      -1.020251      1.534962      6.966263
  H      -3.170741      5.659907      7.668444
  H      -1.861882      5.027204      6.659577
  H      -3.930225      3.475091      8.294058
  H      -2.154941      3.409475      8.478354
  H      -5.569751      0.318311      7.436701
  H      -5.499315      1.947417      8.125140
  H      -3.295408      0.317255      6.744578
  H      -3.237802      1.002401      8.390415
  C      -2.873828      1.508288      2.750828
  C      -3.638910      0.173138      2.624274
  C      -4.879401      0.151298      1.762861
  N      -5.258554      1.237950      1.097008
  C      -6.325217      1.140760      0.245750
  N      -7.058877      0.080949      0.017068
  C      -6.741747     -1.039987      0.734825
  C      -7.539269     -2.197801      0.579430
  C      -7.245952     -3.336920      1.298774
  C      -6.146197     -3.363869      2.186894
  C      -5.345911     -2.251621      2.349614
  C      -5.629540     -1.060736      1.635056
  C      -4.211811      6.100195      5.357036
  C      -3.126127      6.856412      4.555997
  C      -2.891699      6.187177      3.233442
  N      -3.837219      6.380349      2.320975
  C      -3.732934      5.700799      1.151539
  N      -2.789537      4.846227      0.800791
  C      -1.782922      4.662639      1.704682
  C      -0.725190      3.779197      1.378751
  C       0.304566      3.571456      2.271476
  C       0.316796      4.234127      3.522488
  C      -0.704564      5.094473      3.868171
  C      -1.781285      5.325875      2.974435
  C      -6.844151      1.631247      5.564057
  C      -7.055300      0.185393      5.079326
  C      -8.153189      0.052761      4.048824
  N      -8.369707      1.096290      3.258598
  C      -9.331172      0.981991      2.303523
  N     -10.101126     -0.059266      2.068164
  C      -9.893560     -1.153185      2.859881
  C     -10.678827     -2.312618      2.646061
  C     -10.472104     -3.439666      3.413092
  C      -9.475492     -3.454059      4.417214
  C      -8.702466     -2.335575      4.653151
  C      -8.896369     -1.157670      3.888233
  H      -3.329709      2.264890      2.108599
  H      -1.845341      1.374241      2.381600
  H      -3.918160     -0.172496      3.632796
  H      -2.970814     -0.610616      2.229895
  H      -6.582271      2.061533     -0.286208
  H      -8.384506     -2.149076     -0.107411
  H      -7.865947     -4.226454      1.185096
  H      -5.929675     -4.275389      2.745333
  H      -4.500231     -2.289572      3.035993
  H      -5.093401      5.988231      4.713248
  H      -4.505550      6.726412      6.218862
  H      -3.512945      7.867165      4.361111
  H      -2.208229      6.955403      5.147836
  H      -4.546212      5.862006      0.437901
  H      -0.765967      3.278446      0.411125
  H       1.122899      2.897314      2.012672
  H       1.147900      4.070080      4.210380
  H      -0.672697      5.612474      4.826660
  H      -7.549296      1.867669      6.381236
  H      -7.083137      2.302387      4.730919
  H      -6.120115     -0.154762      4.601640
  H      -7.235311     -0.494184      5.921926
  H      -9.468825      1.861969      1.667655
  H     -11.436957     -2.279611      1.862669
  H     -11.081060     -4.330554      3.248293
  H      -9.322566     -4.356363      5.011074
  H      -7.935070     -2.363936      5.426642
  N      -5.167117      3.427074      3.481668
  N      -5.694188      3.577949      2.405819
  H      -5.427438      2.747349      1.728868
89
Coordinates from ORCA-job orca E -6140.471089031465
  N      -2.861740      2.032292      4.100031
  Mo     -4.265185      3.059274      5.030129
  N      -5.498128      1.911805      6.017098
  C      -5.130625      1.333266      7.306129
  C      -3.618632      1.188725      7.351473
  N      -2.993079      2.406269      6.766715
  C      -1.646404      2.124643      6.203842
  C      -1.798615      1.400398      4.877085
  C      -2.987692      3.535002      7.737421
  C      -2.913265      4.851259      6.985664
  N      -3.830248      4.812136      5.847683
  H      -0.843940      1.464021      4.325416
  H      -2.002861      0.321658      5.029922
  H      -1.153527      3.090340      6.028445
  H      -1.038674      1.549238      6.922028
  H      -3.186873      5.674543      7.668625
  H      -1.876890      5.052879      6.655198
  H      -3.937241      3.488495      8.287138
  H      -2.161320      3.421854      8.458933
  H      -5.585534      0.336775      7.433713
  H      -5.510273      1.960055      8.135093
  H      -3.318968      0.336092      6.727806
  H      -3.242858      1.018224      8.374002
  C      -2.936791      1.548612      2.718455
  C      -3.716443      0.221700      2.579024
  C      -4.970463      0.209966      1.735239
  N      -5.377190      1.305894      1.099805
  C      -6.452172      1.214443      0.257854
  N      -7.165477      0.147467      0.003918
  C      -6.826145     -0.984456      0.693650
  C      -7.608697     -2.149465      0.517945
  C      -7.298560     -3.298019      1.214924
  C      -6.194049     -3.327449      2.097047
  C      -5.405637     -2.208930      2.276056
  C      -5.708152     -1.007849      1.586698
  C      -4.195951      6.130421      5.333402
  C      -3.089553      6.854646      4.530964
  C      -2.835477      6.140174      3.234552
  N      -3.778848      6.281300      2.309923
  C      -3.658905      5.554004      1.170642
  N      -2.694933      4.707957      0.856255
  C      -1.691297      4.576522      1.772874
  C      -0.612468      3.704484      1.484971
  C       0.417177      3.553013      2.389004
  C       0.410592      4.265771      3.612037
  C      -0.629651      5.118252      3.919207
  C      -1.708436      5.290052      3.014546
  C      -6.862790      1.645878      5.563876
  C      -7.060087      0.192080      5.102316
  C      -8.150218      0.026912      4.069156
  N      -8.390374      1.056783      3.268337
  C      -9.351641      0.910078      2.316943
  N     -10.098724     -0.150339      2.094362
  C      -9.863508     -1.231672      2.895885
  C     -10.618793     -2.412658      2.693212
  C     -10.379077     -3.528434      3.467290
  C      -9.381350     -3.508353      4.470083
  C      -8.638585     -2.367765      4.696176
  C      -8.864096     -1.202364      3.921138
  H      -3.383769      2.319636      2.083516
  H      -1.911375      1.404965      2.343287
  H      -3.981061     -0.138492      3.586687
  H      -3.058967     -0.559866      2.163126
  H      -6.728592      2.144834     -0.246775
  H      -8.458527     -2.097116     -0.162803
  H      -7.910983     -4.191884      1.090304
  H      -5.965587     -4.245394      2.640108
  H      -4.556681     -2.248999      2.958426
  H      -5.071996      6.023614      4.681137
  H      -4.488192      6.772613      6.184327
  H      -3.464505      7.862018      4.299459
  H      -2.180765      6.966260      5.134654
  H      -4.461731      5.687234      0.438961
  H      -0.633363      3.171559      0.533459
  H       1.252508      2.889556      2.158286
  H       1.243821      4.149593      4.307104
  H      -0.607907      5.679358      4.853573
  H      -7.576565      1.889036      6.371662
  H      -7.100482      2.304261      4.720170
  H      -6.118359     -0.150704      4.639672
  H      -7.240583     -0.473068      5.956511
  H      -9.509582      1.779656      1.671609
  H     -11.377946     -2.406260      1.910109
  H     -10.961726     -4.437239      3.308378
  H      -9.201917     -4.402454      5.068952
  H      -7.866999     -2.369853      5.465975
  N      -5.190341      3.458717      3.475596
  N      -5.683355      3.605943      2.387115
  H      -5.420316      2.738990      1.737861
89
Coordinates from ORCA-job orca E -6140.471481619961
  N      -2.876019      2.042665      4.086606
  Mo     -4.277156      3.064609      5.028314
  N      -5.503582      1.910382      6.016745
  C      -5.126662      1.323832      7.299565
  C      -3.613898      1.183291      7.336510
  N      -2.995707      2.406688      6.756262
  C      -1.649995      2.135305      6.186316
  C      -1.805225      1.415178      4.857668
  C      -2.990257      3.530155      7.732754
  C      -2.919317      4.849707      6.986779
  N      -3.837171      4.815008      5.848530
  H      -0.853449      1.483289      4.301678
  H      -2.004059      0.335239      5.009499
  H      -1.163629      3.104655      6.012596
  H      -1.035443      1.560399      6.899119
  H      -3.194358      5.668790      7.674200
  H      -1.883517      5.055492      6.657185
  H      -3.938059      3.479379      8.285278
  H      -2.161492      3.415285      8.451415
  H      -5.579184      0.325844      7.423593
  H      -5.502286      1.944291      8.135040
  H      -3.314648      0.335684      6.706007
  H      -3.232421      1.007801      8.356097
  C      -2.953434      1.553627      2.707438
  C      -3.708497      0.211456      2.579837
  C      -4.970007      0.175300      1.750127
  N      -5.403048      1.265058      1.122508
  C      -6.488262      1.159002      0.295968
  N      -7.185724      0.079959      0.048246
  C      -6.817818     -1.048085      0.730315
  C      -7.584061     -2.225327      0.564524
  C      -7.247526     -3.368813      1.258131
  C      -6.132420     -3.380523      2.127152
  C      -5.359803     -2.249476      2.296471
  C      -5.689196     -1.053989      1.609910
  C      -4.193556      6.135263      5.332759
  C      -3.078967      6.853975      4.536318
  C      -2.820004      6.142470      3.238836
  N      -3.758722      6.287938      2.309882
  C      -3.628485      5.572425      1.164269
  N      -2.658527      4.734007      0.847394
  C      -1.661027      4.596062      1.770018
  C      -0.577103      3.730160      1.481240
  C       0.446316      3.572566      2.391453
  C       0.428767      4.273680      3.621047
  C      -0.615952      5.120818      3.928698
  C      -1.688211      5.299020      3.017632
  C      -6.870027      1.642836      5.569092
  C      -7.066789      0.196104      5.085924
  C      -8.169495      0.048474      4.063231
  N      -8.426782      1.096814      3.292584
  C      -9.408044      0.972493      2.358695
  N     -10.159705     -0.082572      2.126705
  C      -9.905129     -1.183684      2.894738
  C     -10.664189     -2.359837      2.679195
  C     -10.406715     -3.494528      3.419324
  C      -9.387357     -3.498368      4.400408
  C      -8.640769     -2.362859      4.639152
  C      -8.883438     -1.178662      3.898359
  H      -3.416591      2.315298      2.071176
  H      -1.927712      1.424364      2.326566
  H      -3.954491     -0.151222      3.591399
  H      -3.041477     -0.558769      2.158006
  H      -6.786363      2.086322     -0.201937
  H      -8.443400     -2.186177     -0.105126
  H      -7.847903     -4.271987      1.141950
  H      -5.883793     -4.294210      2.668650
  H      -4.502777     -2.275613      2.969523
  H      -5.067229      6.034144      4.676360
  H      -4.485376      6.778806      6.182746
  H      -3.448168      7.863442      4.304766
  H      -2.172710      6.960808      5.144946
  H      -4.424352      5.713556      0.426447
  H      -0.587929      3.208637      0.523086
  H       1.285462      2.914049      2.160342
  H       1.256958      4.152724      4.321279
  H      -0.603119      5.671761      4.869398
  H      -7.579437      1.870639      6.385146
  H      -7.117224      2.312878      4.737380
  H      -6.129232     -0.136279      4.606975
  H      -7.236805     -0.484065      5.930390
  H      -9.580901      1.857724      1.739163
  H     -11.440340     -2.334561      1.913321
  H     -10.991740     -4.399918      3.249935
  H      -9.194543     -4.407007      4.972681
  H      -7.853564     -2.382997      5.392780
  N      -5.216775      3.476019      3.484077
  N      -5.722517      3.633697      2.403119
  H      -5.499898      2.756599      1.747927
89
Coordinates from ORCA-job orca E -6140.471703621020
  N      -2.891387      2.035558      4.092389
  Mo     -4.292498      3.059953      5.031653
  N      -5.518195      1.909377      6.027891
  C      -5.139665      1.334086      7.315455
  C      -3.626961      1.192277      7.351538
  N      -3.009978      2.411730      6.762350
  C      -1.665066      2.137200      6.191824
  C      -1.822784      1.408827      4.868050
  C      -3.002717      3.541886      7.730687
  C      -2.930791      4.856304      6.975890
  N      -3.847661      4.816594      5.836392
  H      -0.870281      1.468975      4.312605
  H      -2.026103      0.330876      5.027678
  H      -1.179714      3.105679      6.011059
  H      -1.048922      1.566853      6.906876
  H      -3.205520      5.679834      7.657994
  H      -1.894434      5.059121      6.645633
  H      -3.949502      3.495565      8.285508
  H      -2.172877      3.431883      8.448935
  H      -5.594189      0.338366      7.450238
  H      -5.511868      1.962846      8.146191
  H      -3.329041      0.340391      6.726217
  H      -3.244224      1.023719      8.371829
  C      -2.961892      1.548456      2.713290
  C      -3.719012      0.209079      2.579989
  C      -4.986958      0.184541      1.761085
  N      -5.424072      1.282980      1.151237
  C      -6.513140      1.189300      0.328322
  N      -7.211859      0.113666      0.069842
  C      -6.840367     -1.023684      0.734428
  C      -7.607956     -2.198398      0.557434
  C      -7.267758     -3.351340      1.233698
  C      -6.147537     -3.375245      2.095760
  C      -5.373827     -2.246756      2.275942
  C      -5.706866     -1.042170      1.607391
  C      -4.192118      6.135994      5.310181
  C      -3.065422      6.846862      4.524336
  C      -2.792987      6.142781      3.225293
  N      -3.720531      6.297061      2.286764
  C      -3.567691      5.605552      1.129381
  N      -2.590191      4.775849      0.812973
  C      -1.605717      4.626010      1.747778
  C      -0.517037      3.764430      1.463112
  C       0.490640      3.591195      2.388290
  C       0.452133      4.272289      3.628598
  C      -0.597210      5.115675      3.931894
  C      -1.653477      5.309434      3.005734
  C      -6.881098      1.626551      5.578832
  C      -7.063581      0.179186      5.090330
  C      -8.168034      0.025620      4.069570
  N      -8.432780      1.073631      3.300985
  C      -9.418917      0.947181      2.372468
  N     -10.169754     -0.109149      2.144455
  C      -9.905712     -1.210982      2.908110
  C     -10.663342     -2.388540      2.695958
  C     -10.397918     -3.523803      3.432267
  C      -9.370819     -3.526993      4.405305
  C      -8.625402     -2.389924      4.640829
  C      -8.876998     -1.204572      3.904718
  H      -3.417889      2.313075      2.075542
  H      -1.933991      1.416176      2.338189
  H      -3.956735     -0.163507      3.590024
  H      -3.057380     -0.558300      2.144746
  H      -6.816012      2.124905     -0.150897
  H      -8.471275     -2.149851     -0.106487
  H      -7.869057     -4.252695      1.108933
  H      -5.896286     -4.296145      2.623622
  H      -4.513401     -2.282100      2.944191
  H      -5.060375      6.038172      4.646133
  H      -4.486053      6.785267      6.154919
  H      -3.427003      7.859033      4.291446
  H      -2.165042      6.948141      5.142408
  H      -4.358372      5.748000      0.386498
  H      -0.509724      3.259774      0.496008
  H       1.332855      2.935170      2.161469
  H       1.266809      4.137423      4.341956
  H      -0.600894      5.648280      4.883251
  H      -7.593315      1.843091      6.395533
  H      -7.136405      2.297375      4.750261
  H      -6.123380     -0.142493      4.608866
  H      -7.226401     -0.505453      5.932657
  H      -9.596798      1.832090      1.754172
  H     -11.445432     -2.363548      1.936152
  H     -10.982334     -4.430261      3.265954
  H      -9.171949     -4.435944      4.975021
  H      -7.834000     -2.408987      5.390215
  N      -5.238626      3.459517      3.486179
  N      -5.746066      3.606102      2.405226
  H      -5.501067      2.732443      1.744153
89
Coordinates from ORCA-job orca E -6140.471908015780
  N      -2.919909      2.049862      4.073779
  Mo     -4.312656      3.071523      5.027485
  N      -5.536942      1.919891      6.025204
  C      -5.155692      1.343248      7.311298
  C      -3.643037      1.197292      7.340984
  N      -3.026144      2.415785      6.750104
  C      -1.685087      2.140175      6.170571
  C      -1.850338      1.416786      4.844265
  C      -3.013016      3.543777      7.721136
  C      -2.939043      4.860638      6.970571
  N      -3.854096      4.826868      5.829328
  H      -0.899254      1.476200      4.286277
  H      -2.056338      0.338859      5.000804
  H      -1.199264      3.108492      5.990045
  H      -1.065651      1.566545      6.880143
  H      -3.213536      5.682013      7.655625
  H      -1.902048      5.063446      6.642626
  H      -3.958231      3.498353      8.278639
  H      -2.181826      3.429748      8.437193
  H      -5.612138      0.348584      7.446742
  H      -5.523140      1.971976      8.144193
  H      -3.350150      0.345110      6.713624
  H      -3.256072      1.026984      8.359403
  C      -2.991125      1.575276      2.690049
  C      -3.754162      0.240663      2.542297
  C      -5.024257      0.223674      1.725238
  N      -5.458996      1.321714      1.112020
  C      -6.549204      1.231096      0.290074
  N      -7.251130      0.157605      0.033459
  C      -6.882366     -0.979739      0.699247
  C      -7.653563     -2.152233      0.524229
  C      -7.316644     -3.305159      1.202040
  C      -6.195768     -3.331522      2.063289
  C      -5.418417     -2.205237      2.241533
  C      -5.748238     -1.000554      1.571462
  C      -4.180843      6.147775      5.295965
  C      -3.039652      6.844304      4.518597
  C      -2.749518      6.126821      3.230327
  N      -3.673746      6.254590      2.284635
  C      -3.502402      5.552001      1.136464
  N      -2.511648      4.731848      0.837274
  C      -1.532282      4.606448      1.780946
  C      -0.431412      3.753695      1.516237
  C       0.569852      3.602963      2.452301
  C       0.512890      4.298971      3.683615
  C      -0.548153      5.134600      3.966927
  C      -1.598532      5.304779      3.029699
  C      -6.895401      1.623351      5.570798
  C      -7.064362      0.170557      5.093620
  C      -8.169873     -0.006922      4.077388
  N      -8.449148      1.026890      3.294991
  C      -9.436782      0.875107      2.371447
  N     -10.177154     -0.192293      2.161884
  C      -9.896962     -1.280478      2.939379
  C     -10.643408     -2.468812      2.748796
  C     -10.362707     -3.589968      3.500992
  C      -9.329899     -3.568156      4.467659
  C      -8.594757     -2.420192      4.681779
  C      -8.863585     -1.248199      3.930541
  H      -3.440824      2.347947      2.057865
  H      -1.962887      1.441019      2.316317
  H      -3.991381     -0.140700      3.549180
  H      -3.095729     -0.525211      2.099609
  H      -6.850405      2.167889     -0.187732
  H      -8.516743     -2.102021     -0.139762
  H      -7.920145     -4.205018      1.078003
  H      -5.946700     -4.252608      2.591836
  H      -4.558097     -2.242101      2.909700
  H      -5.042841      6.054255      4.623311
  H      -4.477376      6.803678      6.134694
  H      -3.392571      7.855995      4.270483
  H      -2.147488      6.948283      5.147837
  H      -4.291891      5.671031      0.388214
  H      -0.407701      3.238857      0.554801
  H       1.421130      2.953478      2.241124
  H       1.322243      4.181402      4.406026
  H      -0.565337      5.678985      4.911452
  H      -7.613152      1.838733      6.383036
  H      -7.153171      2.287460      4.737589
  H      -6.120994     -0.147448      4.615724
  H      -7.220455     -0.507506      5.942655
  H      -9.627168      1.748886      1.741072
  H     -11.430018     -2.462946      1.993288
  H     -10.939384     -4.504526      3.352281
  H      -9.118634     -4.466304      5.049911
  H      -7.799565     -2.419678      5.427439
  N      -5.259938      3.479060      3.483300
  N      -5.755669      3.627507      2.399075
  H      -5.535331      2.728603      1.752236
89
Coordinates from ORCA-job orca E -6140.471956156502
  N      -2.972503      2.079995      4.048372
  Mo     -4.348011      3.106212      5.024059
  N      -5.582495      1.962746      6.020578
  C      -5.200771      1.369645      7.299234
  C      -3.688975      1.208615      7.319103
  N      -3.064489      2.425128      6.733268
  C      -1.728858      2.145598      6.143159
  C      -1.903711      1.435141      4.811025
  C      -3.037323      3.545626      7.712878
  C      -2.947598      4.868180      6.974501
  N      -3.854133      4.851758      5.826823
  H      -0.953361      1.493233      4.251521
  H      -2.115469      0.357144      4.960039
  H      -1.239181      3.112637      5.967321
  H      -1.107257      1.562765      6.843310
  H      -3.223412      5.684268      7.665952
  H      -1.906847      5.068744      6.658344
  H      -3.981904      3.506355      8.271774
  H      -2.206823      3.416673      8.427242
  H      -5.665005      0.377622      7.425622
  H      -5.558191      1.991422      8.141664
  H      -3.408142      0.358494      6.683429
  H      -3.296641      1.027338      8.333577
  C      -3.044303      1.622103      2.659960
  C      -3.795314      0.281919      2.496691
  C      -5.080104      0.261563      1.704053
  N      -5.549652      1.365893      1.128047
  C      -6.656402      1.278107      0.327534
  N      -7.341567      0.198521      0.055255
  C      -6.938440     -0.948431      0.683463
  C      -7.691601     -2.129909      0.492956
  C      -7.320921     -3.293299      1.134414
  C      -6.183021     -3.320804      1.972819
  C      -5.422773     -2.185205      2.165456
  C      -5.787020     -0.970237      1.532992
  C      -4.141287      6.176320      5.281207
  C      -2.976948      6.836680      4.508844
  C      -2.678620      6.083425      3.242603
  N      -3.614292      6.155674      2.302233
  C      -3.439148      5.413535      1.180041
  N      -2.435422      4.602503      0.901416
  C      -1.445631      4.530959      1.839530
  C      -0.329011      3.692744      1.594965
  C       0.684573      3.599203      2.525227
  C       0.625161      4.340118      3.729706
  C      -0.451125      5.162410      3.993136
  C      -1.515388      5.273603      3.062594
  C      -6.933712      1.653842      5.554104
  C      -7.088470      0.194121      5.093454
  C      -8.200652     -0.016786      4.091030
  N      -8.520000      1.002956      3.305286
  C      -9.517310      0.815401      2.398147
  N     -10.229842     -0.274099      2.207484
  C      -9.904301     -1.349404      2.985414
  C     -10.613319     -2.562310      2.808439
  C     -10.283769     -3.671470      3.558550
  C      -9.239759     -3.611551      4.511393
  C      -8.541219     -2.438768      4.712443
  C      -8.858731     -1.279259      3.961140
  H      -3.497087      2.399960      2.038144
  H      -2.016388      1.499107      2.281627
  H      -4.005710     -0.123927      3.499634
  H      -3.136393     -0.466109      2.024849
  H      -6.984318      2.222602     -0.115753
  H      -8.568807     -2.078400     -0.152192
  H      -7.911844     -4.200216      1.000617
  H      -5.906915     -4.250126      2.472500
  H      -4.548580     -2.223511      2.815031
  H      -4.996808      6.096027      4.598823
  H      -4.434001      6.845740      6.110872
  H      -3.310870      7.847326      4.231541
  H      -2.092883      6.943841      5.148503
  H      -4.234368      5.494316      0.432719
  H      -0.300751      3.143540      0.652858
  H       1.547677      2.960691      2.329473
  H       1.444818      4.268692      4.446531
  H      -0.469663      5.743731      4.914843
  H      -7.660094      1.871317      6.358431
  H      -7.189843      2.310000      4.714256
  H      -6.143439     -0.119317      4.616022
  H      -7.230974     -0.475285      5.951844
  H      -9.744947      1.678541      1.765584
  H     -11.409392     -2.585099      2.063310
  H     -10.829267     -4.605915      3.417998
  H      -8.990197     -4.500527      5.092466
  H      -7.735841     -2.409197      5.446571
  N      -5.290892      3.539349      3.478852
  N      -5.768417      3.701482      2.390748
  H      -5.538551      2.800375      1.726284
89
Coordinates from ORCA-job orca E -6140.472342235725
  N      -2.983953      2.080377      4.046891
  Mo     -4.359137      3.105488      5.023796
  N      -5.585398      1.961605      6.030555
  C      -5.195458      1.377785      7.311313
  C      -3.683202      1.220923      7.325166
  N      -3.065257      2.436706      6.730731
  C      -1.731443      2.158385      6.135706
  C      -1.911282      1.440303      4.808382
  C      -3.037374      3.562061      7.704450
  C      -2.953339      4.880515      6.958090
  N      -3.863192      4.856465      5.812918
  H      -0.963538      1.496209      4.244313
  H      -2.121406      0.362934      4.964122
  H      -1.245325      3.126076      5.952351
  H      -1.105150      1.580877      6.836086
  H      -3.226813      5.700851      7.645291
  H      -1.913907      5.079348      6.636146
  H      -3.979614      3.523572      8.267358
  H      -2.203601      3.438801      8.416031
  H      -5.657204      0.385957      7.447631
  H      -5.549590      2.005001      8.150981
  H      -3.402773      0.368577      6.692335
  H      -3.286152      1.045647      8.338910
  C      -3.056862      1.620362      2.659308
  C      -3.803005      0.277882      2.497057
  C      -5.095480      0.257552      1.717527
  N      -5.574220      1.363709      1.152366
  C      -6.686302      1.275699      0.359267
  N      -7.367051      0.194009      0.083478
  C      -6.953125     -0.955586      0.700115
  C      -7.699919     -2.140357      0.504824
  C      -7.317837     -3.306517      1.134555
  C      -6.175225     -3.333397      1.966562
  C      -5.421056     -2.194469      2.163653
  C      -5.796913     -0.976884      1.542994
  C      -4.147100      6.178286      5.258644
  C      -2.974340      6.835433      4.495807
  C      -2.663516      6.083895      3.231588
  N      -3.582687      6.169899      2.276252
  C      -3.392249      5.437531      1.150164
  N      -2.386525      4.626257      0.879898
  C      -1.414257      4.538960      1.835195
  C      -0.299939      3.694179      1.603455
  C       0.695896      3.584191      2.551107
  C       0.620927      4.315703      3.760540
  C      -0.453073      5.145159      4.011279
  C      -1.500028      5.271891      3.063038
  C      -6.936059      1.642032      5.569581
  C      -7.080882      0.186163      5.095278
  C      -8.201305     -0.017049      4.101242
  N      -8.538595      1.016752      3.342209
  C      -9.547098      0.841957      2.445341
  N     -10.254176     -0.248701      2.240482
  C      -9.911596     -1.337687      2.991947
  C     -10.615560     -2.551257      2.799543
  C     -10.269411     -3.673521      3.522308
  C      -9.212833     -3.626639      4.461957
  C      -8.518895     -2.453736      4.678108
  C      -8.853273     -1.280983      3.954911
  H      -3.514891      2.396167      2.037720
  H      -2.029101      1.501189      2.278978
  H      -4.002268     -0.135393      3.499363
  H      -3.145596     -0.464135      2.013821
  H      -7.021299      2.221195     -0.076736
  H      -8.581532     -2.089381     -0.134346
  H      -7.903188     -4.216321      0.996233
  H      -5.890127     -4.265044      2.456911
  H      -4.542618     -2.232422      2.807580
  H      -4.997487      6.096444      4.570158
  H      -4.444339      6.851619      6.083392
  H      -3.302517      7.847356      4.215668
  H      -2.096085      6.940096      5.143935
  H      -4.171530      5.533506      0.387797
  H      -0.258582      3.152958      0.657211
  H       1.557237      2.940255      2.365406
  H       1.426842      4.231427      4.491375
  H      -0.483818      5.718061      4.938142
  H      -7.660595      1.846460      6.378963
  H      -7.202093      2.302345      4.736095
  H      -6.138290     -0.113132      4.603886
  H      -7.210095     -0.494758      5.946722
  H      -9.787264      1.716302      1.833137
  H     -11.421629     -2.563692      2.064927
  H     -10.812008     -4.608103      3.370841
  H      -8.950290     -4.525623      5.021600
  H      -7.704689     -2.434508      5.402858
  N      -5.315315      3.525354      3.482982
  N      -5.802437      3.678029      2.397974
  H      -5.591904      2.762983      1.744077
89
Coordinates from ORCA-job orca E -6140.472522311480
  N      -3.016804      2.085465      4.045376
  Mo     -4.381461      3.119884      5.027314
  N      -5.614031      1.985022      6.038597
  C      -5.224291      1.408508      7.323407
  C      -3.713103      1.239062      7.333826
  N      -3.087441      2.446816      6.731538
  C      -1.758316      2.156544      6.131355
  C      -1.948846      1.436684      4.806620
  C      -3.045888      3.575171      7.700908
  C      -2.951505      4.889811      6.949489
  N      -3.861908      4.868852      5.804899
  H      -1.001689      1.481429      4.240470
  H      -2.169205      0.361905      4.966166
  H      -1.265695      3.120108      5.943164
  H      -1.133295      1.576151      6.830515
  H      -3.217506      5.715315      7.633399
  H      -1.910575      5.078295      6.625623
  H      -3.986542      3.547777      8.267180
  H      -2.211025      3.446496      8.410299
  H      -5.693573      0.421697      7.469496
  H      -5.570319      2.045043      8.159277
  H      -3.441727      0.381220      6.704485
  H      -3.314515      1.065720      8.347363
  C      -3.086253      1.634410      2.655161
  C      -3.832757      0.294268      2.478613
  C      -5.127879      0.282740      1.703699
  N      -5.607173      1.393491      1.147434
  C      -6.721505      1.313876      0.356470
  N      -7.403189      0.235044      0.072974
  C      -6.987801     -0.920307      0.677944
  C      -7.733938     -2.103515      0.471799
  C      -7.350394     -3.275588      1.089558
  C      -6.207089     -3.310060      1.920278
  C      -5.453708     -2.172604      2.128217
  C      -5.830630     -0.949375      1.519450
  C      -4.125722      6.191762      5.242562
  C      -2.937171      6.832213      4.491061
  C      -2.620622      6.076580      3.230854
  N      -3.531794      6.165643      2.268225
  C      -3.330253      5.439687      1.140142
  N      -2.322596      4.629355      0.875441
  C      -1.359516      4.536550      1.839725
  C      -0.245816      3.689175      1.616312
  C       0.738666      3.570311      2.574929
  C       0.652876      4.295969      3.787123
  C      -0.420498      5.128869      4.029556
  C      -1.456158      5.264367      3.069943
  C      -6.956797      1.644134      5.569509
  C      -7.078316      0.184378      5.099911
  C      -8.200010     -0.042100      4.112239
  N      -8.556768      0.981841      3.348609
  C      -9.564123      0.784894      2.454935
  N     -10.253610     -0.318476      2.258056
  C      -9.891491     -1.397160      3.015181
  C     -10.576789     -2.622859      2.832449
  C     -10.210904     -3.735031      3.560988
  C      -9.152514     -3.665493      4.497159
  C      -8.476580     -2.480422      4.704021
  C      -8.831445     -1.317541      3.974655
  H      -3.539784      2.415454      2.037011
  H      -2.057350      1.516011      2.277493
  H      -4.027400     -0.133419      3.475698
  H      -3.177221     -0.440621      1.982031
  H      -7.057328      2.263996     -0.068650
  H      -8.616561     -2.046938     -0.165513
  H      -7.935080     -4.184441      0.942590
  H      -5.920663     -4.246408      2.400813
  H      -4.574646     -2.216471      2.770891
  H      -4.970666      6.118072      4.546554
  H      -4.422129      6.871599      6.062296
  H      -3.248632      7.848207      4.205823
  H      -2.064817      6.926917      5.148551
  H      -4.105431      5.534773      0.373401
  H      -0.195680      3.150853      0.668862
  H       1.598870      2.922851      2.396407
  H       1.449173      4.203730      4.527407
  H      -0.461299      5.695113      4.960154
  H      -7.689455      1.840835      6.373484
  H      -7.226901      2.298212      4.732688
  H      -6.132551     -0.099991      4.605674
  H      -7.192644     -0.495897      5.954137
  H      -9.820091      1.651334      1.837971
  H     -11.384732     -2.652479      2.100365
  H     -10.739275     -4.678957      3.417173
  H      -8.874614     -4.556439      5.062241
  H      -7.662358     -2.444036      5.428269
  N      -5.342936      3.541224      3.487889
  N      -5.830648      3.689665      2.403894
  H      -5.612806      2.769667      1.746251
89
Coordinates from ORCA-job orca E -6140.472735611090
  N      -3.056228      2.092038      4.062200
  Mo     -4.407635      3.142210      5.046281
  N      -5.656158      2.024790      6.059640
  C      -5.272346      1.461244      7.353383
  C      -3.763094      1.269947      7.365360
  N      -3.120780      2.463462      6.751824
  C      -1.797439      2.151813      6.149498
  C      -1.999692      1.429287      4.828391
  C      -3.059074      3.597868      7.712808
  C      -2.943190      4.905139      6.951032
  N      -3.850639      4.886917      5.804235
  H      -1.051000      1.455212      4.263339
  H      -2.237727      0.359095      4.993426
  H      -1.292148      3.107742      5.955666
  H      -1.178636      1.566210      6.849911
  H      -3.198705      5.740442      7.626924
  H      -1.898827      5.075302      6.627786
  H      -3.999404      3.590947      8.280363
  H      -2.225929      3.459815      8.422513
  H      -5.755554      0.483852      7.515021
  H      -5.607671      2.114553      8.180329
  H      -3.504665      0.402200      6.744130
  H      -3.366822      1.100411      8.380541
  C      -3.114865      1.651022      2.669450
  C      -3.854124      0.310643      2.471205
  C      -5.157337      0.305127      1.710323
  N      -5.650819      1.421061      1.175914
  C      -6.772332      1.347772      0.394083
  N      -7.446559      0.268495      0.096737
  C      -7.014721     -0.894580      0.675223
  C      -7.749061     -2.081223      0.449301
  C      -7.349107     -3.261413      1.040705
  C      -6.200999     -3.300539      1.864430
  C      -5.458997     -2.159389      2.091708
  C      -5.852046     -0.928565      1.509186
  C      -4.087811      6.208469      5.225772
  C      -2.884161      6.820412      4.476926
  C      -2.579437      6.051636      3.221636
  N      -3.497180      6.135938      2.264795
  C      -3.300221      5.410055      1.136171
  N      -2.293952      4.599973      0.867195
  C      -1.326044      4.508095      1.827160
  C      -0.216125      3.657031      1.601368
  C       0.769972      3.534398      2.558084
  C       0.690551      4.261349      3.769828
  C      -0.378595      5.099218      4.014078
  C      -1.416452      5.237903      3.057027
  C      -6.985637      1.656719      5.573019
  C      -7.075651      0.197809      5.093641
  C      -8.207339     -0.047834      4.122178
  N      -8.605438      0.976741      3.379823
  C      -9.620125      0.764153      2.498353
  N     -10.281029     -0.355590      2.295053
  C      -9.877260     -1.434263      3.031025
  C     -10.530479     -2.676146      2.840176
  C     -10.122004     -3.788185      3.545732
  C      -9.052268     -3.702110      4.467479
  C      -8.406997     -2.501429      4.682354
  C      -8.805072     -1.338587      3.975631
  H      -3.565014      2.435998      2.054736
  H      -2.083059      1.539088      2.297711
  H      -4.033695     -0.143282      3.459141
  H      -3.198896     -0.406785      1.949074
  H      -7.120875      2.303698     -0.006841
  H      -8.636913     -2.021555     -0.180391
  H      -7.924835     -4.173430      0.878620
  H      -5.901348     -4.243326      2.323761
  H      -4.575649     -2.206904      2.728104
  H      -4.929483      6.142612      4.525070
  H      -4.378138      6.901310      6.036876
  H      -3.172282      7.841490      4.184557
  H      -2.012507      6.901726      5.137016
  H      -4.083878      5.497031      0.376818
  H      -0.170813      3.114312      0.656177
  H       1.625862      2.881463      2.378951
  H       1.487194      4.165191      4.509135
  H      -0.416988      5.664453      4.945337
  H      -7.730912      1.835051      6.369681
  H      -7.259152      2.310384      4.737458
  H      -6.130273     -0.057489      4.583116
  H      -7.160237     -0.492491      5.943468
  H      -9.910500      1.632126      1.898862
  H     -11.348294     -2.717942      2.119705
  H     -10.625222     -4.744658      3.395073
  H      -8.741373     -4.592624      5.015791
  H      -7.585507     -2.453398      5.397919
  N      -5.370931      3.563194      3.503790
  N      -5.854636      3.702394      2.418858
  H      -5.643749      2.762116      1.762855
89
Coordinates from ORCA-job orca E -6140.472984160360
  N      -3.098692      2.105630      4.072518
  Mo     -4.435675      3.170436      5.061542
  N      -5.700171      2.068474      6.073926
  C      -5.322285      1.513968      7.374552
  C      -3.815601      1.299883      7.387120
  N      -3.155881      2.480011      6.766271
  C      -1.839030      2.146231      6.161315
  C      -2.054324      1.425699      4.841300
  C      -3.073034      3.616967      7.722545
  C      -2.935821      4.918693      6.954623
  N      -3.840564      4.906859      5.806081
  H      -1.104486      1.432928      4.277291
  H      -2.311047      0.360182      5.008900
  H      -1.318764      3.093675      5.965609
  H      -1.228297      1.551697      6.861335
  H      -3.180052      5.761835      7.624894
  H      -1.888443      5.071209      6.632249
  H      -4.012612      3.628959      8.291368
  H      -2.241570      3.466922      8.431779
  H      -5.819661      0.545966      7.548304
  H      -5.646181      2.181438      8.194382
  H      -3.571006      0.424379      6.771035
  H      -3.421442      1.130467      8.403244
  C      -3.148529      1.677890      2.676032
  C      -3.878337      0.336208      2.455259
  C      -5.190058      0.331704      1.709449
  N      -5.703428      1.450619      1.199281
  C      -6.833036      1.379624      0.428360
  N      -7.495040      0.297651      0.115894
  C      -7.041898     -0.871084      0.666471
  C      -7.759737     -2.063290      0.419533
  C      -7.337962     -3.249833      0.982460
  C      -6.184359     -3.289430      1.798286
  C      -5.457888     -2.142513      2.045435
  C      -5.872372     -0.905827      1.491134
  C      -4.047824      6.227662      5.213416
  C      -2.826738      6.809248      4.469240
  C      -2.533362      6.027823      3.218708
  N      -3.454641      6.113132      2.265328
  C      -3.267725      5.380389      1.139642
  N      -2.265354      4.566626      0.867961
  C      -1.294967      4.471398      1.825405
  C      -0.191982      3.612156      1.598907
  C       0.795499      3.484271      2.553609
  C       0.724579      4.214333      3.763859
  C      -0.337369      5.061186      4.008417
  C      -1.376715      5.205186      3.053626
  C      -7.015574      1.674411      5.570072
  C      -7.072212      0.216510      5.084259
  C      -8.211504     -0.054230      4.128804
  N      -8.650965      0.964874      3.402172
  C      -9.672344      0.730569      2.534230
  N     -10.304072     -0.406135      2.331029
  C      -9.860136     -1.478166      3.053580
  C     -10.483396     -2.735783      2.865239
  C     -10.034233     -3.841001      3.556616
  C      -8.952405     -3.732211      4.461675
  C      -8.335882     -2.516057      4.674344
  C      -8.775952     -1.359913      3.981865
  H      -3.597913      2.467400      2.066384
  H      -2.114353      1.574307      2.308279
  H      -4.040523     -0.144776      3.433208
  H      -3.222153     -0.360644      1.906913
  H      -7.197406      2.339382      0.051672
  H      -8.652987     -2.003834     -0.202476
  H      -7.900639     -4.166836      0.803840
  H      -5.867777     -4.237112      2.235603
  H      -4.569762     -2.190673      2.675009
  H      -4.885266      6.172220      4.506923
  H      -4.331894      6.932318      6.016667
  H      -3.088980      7.835503      4.170294
  H      -1.957181      6.875197      5.133714
  H      -4.053141      5.470672      0.382249
  H      -0.152923      3.065426      0.655731
  H       1.645913      2.824359      2.373955
  H       1.522261      4.114318      4.501508
  H      -0.370085      5.629448      4.938088
  H      -7.773135      1.835231      6.358862
  H      -7.292463      2.326193      4.734567
  H      -6.127856     -0.009129      4.558311
  H      -7.125555     -0.480549      5.931423
  H      -9.995327      1.594504      1.945524
  H     -11.311671     -2.794804      2.157997
  H     -10.514440     -4.809545      3.407778
  H      -8.609440     -4.617377      4.999450
  H      -7.505749     -2.451446      5.378647
  N      -5.400348      3.595817      3.517586
  N      -5.881012      3.728431      2.432799
  H      -5.670823      2.769907      1.775520
89
Coordinates from ORCA-job orca E -6140.473306872072
  N      -3.154560      2.127367      4.086781
  Mo     -4.472291      3.212224      5.081402
  N      -5.756655      2.129486      6.091320
  C      -5.387031      1.585159      7.399849
  C      -3.884263      1.342424      7.413749
  N      -3.202198      2.505471      6.785405
  C      -1.894173      2.142173      6.177975
  C      -2.126283      1.425348      4.858483
  C      -3.093252      3.644341      7.736877
  C      -2.929748      4.939409      6.962782
  N      -3.831059      4.936264      5.812340
  H      -1.175336      1.408271      4.296059
  H      -2.406683      0.366268      5.029507
  H      -1.353291      3.077664      5.981764
  H      -1.295705      1.534703      6.877529
  H      -3.159951      5.791437      7.626780
  H      -1.879097      5.070992      6.642050
  H      -4.032084      3.678990      8.306107
  H      -2.264778      3.478785      8.446045
  H      -5.902040      0.629044      7.587048
  H      -5.696487      2.269581      8.210790
  H      -3.657002      0.458024      6.803497
  H      -3.493259      1.172127      8.431069
  C      -3.195260      1.715205      2.686083
  C      -3.921035      0.375909      2.439887
  C      -5.239906      0.378076      1.707943
  N      -5.769747      1.503389      1.228183
  C      -6.904458      1.443665      0.462977
  N      -7.554014      0.363315      0.123643
  C      -7.085681     -0.815017      0.640853
  C      -7.790401     -2.007516      0.361948
  C      -7.354172     -3.204303      0.891301
  C      -6.198671     -3.253359      1.703725
  C      -5.483783     -2.105985      1.980461
  C      -5.912767     -0.859317      1.461038
  C      -3.996275      6.253546      5.198113
  C      -2.754187      6.789146      4.453198
  C      -2.478523      5.982157      3.214016
  N      -3.408826      6.059041      2.268692
  C      -3.243737      5.300919      1.156537
  N      -2.248349      4.477955      0.886262
  C      -1.269050      4.390878      1.835480
  C      -0.175372      3.519538      1.611540
  C       0.820971      3.398813      2.557881
  C       0.767912      4.147661      3.757325
  C      -0.284606      5.006795      3.999046
  C      -1.332349      5.144449      3.052621
  C      -7.053099      1.703604      5.566423
  C      -7.061111      0.247823      5.075132
  C      -8.203586     -0.064941      4.137228
  N      -8.696641      0.938410      3.422854
  C      -9.719132      0.665315      2.567907
  N     -10.305901     -0.496047      2.367904
  C      -9.809855     -1.550801      3.081913
  C     -10.385419     -2.831942      2.900055
  C      -9.881251     -3.920045      3.580723
  C      -8.789418     -3.770596      4.467781
  C      -8.218624     -2.531160      4.674101
  C      -8.716578     -1.391982      3.993223
  H      -3.638899      2.512067      2.080963
  H      -2.158747      1.615180      2.323758
  H      -4.067115     -0.134195      3.405569
  H      -3.266676     -0.299847      1.863446
  H      -7.279836      2.410247      0.116236
  H      -8.685805     -1.941297     -0.256230
  H      -7.906932     -4.122260      0.688437
  H      -5.871802     -4.208665      2.116007
  H      -4.594373     -2.162019      2.607398
  H      -4.829566      6.210574      4.486079
  H      -4.268800      6.976559      5.989152
  H      -2.983635      7.818729      4.139109
  H      -1.886604      6.840251      5.121439
  H      -4.035963      5.386311      0.405599
  H      -0.149936      2.958494      0.676327
  H       1.665096      2.730610      2.379143
  H       1.572896      4.054097      4.487916
  H      -0.302934      5.592389      4.918382
  H      -7.825729      1.841063      6.344988
  H      -7.335400      2.351470      4.730082
  H      -6.117696      0.064948      4.531588
  H      -7.071071     -0.454481      5.919995
  H     -10.083401      1.517180      1.985587
  H     -11.222381     -2.922587      2.206473
  H     -10.324673     -4.906653      3.436479
  H      -8.401710     -4.642888      4.996133
  H      -7.378959     -2.435818      5.363302
  N      -5.436653      3.644412      3.535221
  N      -5.914304      3.768709      2.451108
  H      -5.703448      2.783681      1.788911
89
Coordinates from ORCA-job orca E -6140.473765800122
  N      -3.214358      2.147855      4.111058
  Mo     -4.510703      3.258446      5.107516
  N      -5.818809      2.198492      6.112852
  C      -5.461259      1.666002      7.430649
  C      -3.963693      1.391111      7.449382
  N      -3.255331      2.534215      6.814200
  C      -1.956826      2.136593      6.207516
  C      -2.205198      1.423281      4.888205
  C      -3.120100      3.675225      7.759992
  C      -2.927089      4.962408      6.979432
  N      -3.822091      4.968210      5.825140
  H      -1.252677      1.378603      4.329435
  H      -2.511225      0.372014      5.064406
  H      -1.391878      3.057579      6.012364
  H      -1.374830      1.514571      6.908277
  H      -3.143969      5.823631      7.636242
  H      -1.872777      5.072838      6.663346
  H      -4.059355      3.734024      8.326639
  H      -2.297218      3.493596      8.471544
  H      -5.996690      0.724094      7.631988
  H      -5.754855      2.369851      8.230259
  H      -3.754906      0.497001      6.846458
  H      -3.578482      1.220031      8.468952
  C      -3.243272      1.750991      2.706237
  C      -3.969751      0.417202      2.432569
  C      -5.291513      0.429301      1.707714
  N      -5.834766      1.562695      1.261107
  C      -6.969670      1.521422      0.493709
  N      -7.604913      0.446572      0.117026
  C      -7.127906     -0.743531      0.599428
  C      -7.822344     -1.931343      0.280484
  C      -7.380138     -3.140468      0.776239
  C      -6.227851     -3.205520      1.591832
  C      -5.521166     -2.062528      1.905173
  C      -5.956791     -0.803852      1.422282
  C      -3.939396      6.278597      5.185156
  C      -2.676807      6.759616      4.435303
  C      -2.427317      5.926255      3.206596
  N      -3.368299      6.003493      2.271780
  C      -3.232785      5.222818      1.171182
  N      -2.248289      4.387586      0.896617
  C      -1.258846      4.299723      1.835086
  C      -0.178405      3.412840      1.607127
  C       0.827957      3.289711      2.542295
  C       0.798243      4.051340      3.734268
  C      -0.240186      4.926309      3.979036
  C      -1.297535      5.067161      3.044168
  C      -7.094211      1.741710      5.565575
  C      -7.046827      0.289841      5.070547
  C      -8.185300     -0.074394      4.147664
  N      -8.732537      0.904833      3.438981
  C      -9.748727      0.583765      2.593582
  N     -10.283821     -0.603634      2.400195
  C      -9.735012     -1.632783      3.112727
  C     -10.254016     -2.939149      2.940318
  C      -9.691908     -4.001953      3.615853
  C      -8.596180     -3.801847      4.488029
  C      -8.079868     -2.537176      4.685078
  C      -8.638639     -1.423540      4.009743
  H      -3.674814      2.557050      2.103274
  H      -2.203777      1.648929      2.352765
  H      -4.104424     -0.121357      3.384550
  H      -3.317655     -0.238812      1.831010
  H      -7.351311      2.496630      0.180400
  H      -8.715842     -1.852815     -0.338925
  H      -7.926769     -4.055466      0.545213
  H      -5.898348     -4.169781      1.980191
  H      -4.635128     -2.131783      2.535469
  H      -4.769035      6.248925      4.468345
  H      -4.196057      7.022991      5.961761
  H      -2.869288      7.792092      4.106512
  H      -1.809630      6.792510      5.105160
  H      -4.033352      5.310386      0.429362
  H      -0.170141      2.845712      0.675182
  H       1.663130      2.611575      2.358891
  H       1.611863      3.957245      4.455287
  H      -0.238157      5.525908      4.889610
  H      -7.882489      1.853713      6.332442
  H      -7.382051      2.384834      4.727702
  H      -6.104863      0.156159      4.510728
  H      -7.008472     -0.413902      5.913800
  H     -10.153684      1.417295      2.011571
  H     -11.094576     -3.069820      2.257514
  H     -10.090533     -5.008133      3.476789
  H      -8.160488     -4.655150      5.009952
  H      -7.232920     -2.402104      5.358077
  N      -5.468359      3.695507      3.554505
  N      -5.939249      3.805746      2.469988
  H      -5.725657      2.778605      1.804123
89
Coordinates from ORCA-job orca E -6140.474022430551
  N      -3.268220      2.167294      4.122669
  Mo     -4.545835      3.296326      5.123777
  N      -5.872827      2.254187      6.124852
  C      -5.523443      1.730527      7.449583
  C      -4.030675      1.428941      7.470928
  N      -3.301753      2.555709      6.830280
  C      -2.012245      2.131349      6.222223
  C      -2.275582      1.422553      4.903025
  C      -3.143123      3.696975      7.772260
  C      -2.925219      4.977489      6.987116
  N      -3.815536      4.992080      5.829953
  H      -1.322966      1.354934      4.346300
  H      -2.603778      0.378416      5.082254
  H      -1.428541      3.040408      6.027308
  H      -1.442604      1.497569      6.922665
  H      -3.129640      5.845920      7.638486
  H      -1.868231      5.068930      6.674159
  H      -4.081317      3.776418      8.338255
  H      -2.324366      3.500781      8.484611
  H      -6.075255      0.800731      7.662222
  H      -5.803065      2.448811      8.240899
  H      -3.838059      0.527680      6.873094
  H      -3.649125      1.256509      8.491771
  C      -3.286689      1.784487      2.714515
  C      -4.011560      0.454344      2.420109
  C      -5.338795      0.471715      1.706457
  N      -5.894950      1.608836      1.284160
  C      -7.033992      1.577311      0.521579
  N      -7.659522      0.505632      0.123050
  C      -7.171449     -0.690787      0.578962
  C      -7.856557     -1.876590      0.234879
  C      -7.404451     -3.092524      0.704748
  C      -6.251191     -3.165673      1.518063
  C      -5.552531     -2.024358      1.854465
  C      -5.997971     -0.759279      1.398491
  C      -3.891859      6.296483      5.171032
  C      -2.610905      6.733227      4.424494
  C      -2.378010      5.881093      3.204548
  N      -3.324942      5.957588      2.275655
  C      -3.206971      5.162315      1.183574
  N      -2.229199      4.319507      0.907631
  C      -1.234400      4.231268      1.840487
  C      -0.163070      3.333636      1.612485
  C       0.848080      3.208664      2.542206
  C       0.832240      3.978989      3.728654
  C      -0.196678      4.865118      3.972928
  C      -1.258584      5.008371      3.043657
  C      -7.128889      1.768792      5.559123
  C      -7.034779      0.321997      5.059182
  C      -8.172132     -0.084661      4.153479
  N      -8.769907      0.874152      3.457553
  C      -9.784558      0.515049      2.625938
  N     -10.274876     -0.692290      2.436431
  C      -9.676486     -1.700112      3.139348
  C     -10.147669     -3.025265      2.973400
  C      -9.533544     -4.066505      3.637127
  C      -8.431275     -3.825728      4.490591
  C      -7.960943     -2.542235      4.681433
  C      -8.574123     -1.450282      4.018381
  H      -3.710216      2.597319      2.114301
  H      -2.244837      1.683296      2.367514
  H      -4.132979     -0.107082      3.360615
  H      -3.362444     -0.183982      1.796499
  H      -7.423736      2.556803      0.233179
  H      -8.751604     -1.792168     -0.381465
  H      -7.944401     -4.006696      0.455268
  H      -5.915045     -4.134962      1.887572
  H      -4.665991     -2.100456      2.483159
  H      -4.716017      6.279172      4.447675
  H      -4.136756      7.056841      5.936064
  H      -2.770773      7.767632      4.084375
  H      -1.747367      6.749546      5.099549
  H      -4.011966      5.250833      0.446578
  H      -0.164982      2.760382      0.684216
  H       1.676801      2.522860      2.358016
  H       1.649879      3.884063      4.445045
  H      -0.183333      5.473468      4.877646
  H      -7.929203      1.857402      6.316547
  H      -7.422979      2.408162      4.720886
  H      -6.097909      0.229694      4.482948
  H      -6.953796     -0.382207      5.899378
  H     -10.229199      1.333340      2.051244
  H     -10.994156     -3.187643      2.304826
  H      -9.895074     -5.087065      3.502177
  H      -7.953385     -4.662460      5.002319
  H      -7.107349     -2.375851      5.338687
  N      -5.501207      3.740240      3.567572
  N      -5.968056      3.842181      2.483460
  H      -5.752565      2.788931      1.814451
89
Coordinates from ORCA-job orca E -6140.473863775866
  N      -3.279681      2.169496      4.148833
  Mo     -4.551802      3.315538      5.140397
  N      -5.888396      2.281378      6.136010
  C      -5.549226      1.758742      7.462862
  C      -4.058923      1.448757      7.491558
  N      -3.318606      2.569914      6.855145
  C      -2.030170      2.130412      6.255888
  C      -2.292857      1.422337      4.934110
  C      -3.160155      3.711668      7.797344
  C      -2.934695      4.991548      7.013567
  N      -3.817959      5.007410      5.852149
  H      -1.337774      1.346669      4.382457
  H      -2.625530      0.380052      5.116886
  H      -1.434262      3.032324      6.068411
  H      -1.473751      1.489122      6.960203
  H      -3.141700      5.860879      7.663488
  H      -1.876163      5.084110      6.708238
  H      -4.103277      3.793210      8.354729
  H      -2.347712      3.512914      8.515798
  H      -6.107943      0.832555      7.674823
  H      -5.826306      2.482967      8.249350
  H      -3.868545      0.545870      6.895364
  H      -3.684281      1.274159      8.514709
  C      -3.295720      1.787173      2.739388
  C      -4.035882      0.465638      2.438063
  C      -5.348931      0.498537      1.701012
  N      -5.889965      1.646037      1.286608
  C      -7.012027      1.643578      0.497601
  N      -7.635267      0.585055      0.066157
  C      -7.174230     -0.623625      0.519233
  C      -7.873960     -1.792768      0.150465
  C      -7.455409     -3.020600      0.621312
  C      -6.318889     -3.120791      1.454912
  C      -5.603537     -1.996120      1.812147
  C      -6.017861     -0.719067      1.361382
  C      -3.876521      6.304190      5.177732
  C      -2.595102      6.712452      4.409672
  C      -2.385811      5.842997      3.195404
  N      -3.339960      5.928975      2.274434
  C      -3.253851      5.114497      1.192801
  N      -2.289646      4.255510      0.913117
  C      -1.286225      4.161998      1.835186
  C      -0.225613      3.252185      1.597942
  C       0.798354      3.125411      2.512538
  C       0.806425      3.905564      3.692560
  C      -0.210563      4.802591      3.945003
  C      -1.285162      4.947905      3.031761
  C      -7.142085      1.799736      5.565834
  C      -7.024540      0.354583      5.074350
  C      -8.141953     -0.083953      4.160522
  N      -8.746768      0.851653      3.439885
  C      -9.738026      0.458648      2.595790
  N     -10.202601     -0.760776      2.418838
  C      -9.598317     -1.744377      3.149724
  C     -10.036948     -3.082051      2.996243
  C      -9.407732     -4.099774      3.682688
  C      -8.322153     -3.823212      4.546736
  C      -7.883610     -2.526684      4.724906
  C      -8.513351     -1.459144      4.038783
  H      -3.703812      2.605771      2.133814
  H      -2.253244      1.670543      2.398876
  H      -4.174689     -0.094875      3.377484
  H      -3.386386     -0.179937      1.822249
  H      -7.381303      2.632797      0.216562
  H      -8.754868     -1.685745     -0.482399
  H      -8.011901     -3.921626      0.359996
  H      -6.013117     -4.097929      1.829644
  H      -4.733229     -2.094315      2.460330
  H      -4.704806      6.288572      4.459022
  H      -4.108828      7.076090      5.935161
  H      -2.746428      7.744587      4.060386
  H      -1.725077      6.727196      5.076542
  H      -4.064562      5.212032      0.463655
  H      -0.243210      2.685236      0.665717
  H       1.622066      2.436567      2.317337
  H       1.636908      3.812787      4.394639
  H      -0.171387      5.426162      4.838697
  H      -7.946577      1.885073      6.319052
  H      -7.435421      2.434909      4.723562
  H      -6.084195      0.284942      4.500715
  H      -6.926728     -0.341698      5.919410
  H     -10.183728      1.259119      1.997695
  H     -10.868933     -3.274356      2.317494
  H      -9.740564     -5.130392      3.552279
  H      -7.827801     -4.642982      5.070075
  H      -7.033113     -2.328655      5.376078
  N      -5.490575      3.754989      3.573950
  N      -5.951772      3.843600      2.488582
  H      -5.724752      2.751948      1.818149
89
Coordinates from ORCA-job orca E -6140.474071476020
  N      -3.303313      2.181831      4.134320
  Mo     -4.568102      3.330987      5.132458
  N      -5.911210      2.300214      6.123934
  C      -5.573307      1.773719      7.449974
  C      -4.085290      1.453456      7.476422
  N      -3.338095      2.571657      6.843277
  C      -2.053042      2.125221      6.241722
  C      -2.321263      1.424937      4.916650
  C      -3.171984      3.708729      7.789762
  C      -2.937009      4.989392      7.010222
  N      -3.816513      5.013555      5.846342
  H      -1.366790      1.344257      4.364567
  H      -2.660911      0.384201      5.095470
  H      -1.450102      3.023264      6.058614
  H      -1.501554      1.476455      6.943069
  H      -3.140130      5.858644      7.661526
  H      -1.877310      5.075866      6.707837
  H      -4.114800      3.795047      8.346939
  H      -2.361376      3.501265      8.507769
  H      -6.137933      0.851065      7.661448
  H      -5.844260      2.498931      8.237527
  H      -3.901608      0.551284      6.877032
  H      -3.711093      1.272850      8.498743
  C      -3.317351      1.810178      2.722083
  C      -4.051288      0.487060      2.412380
  C      -5.372718      0.516889      1.690331
  N      -5.926462      1.663405      1.290147
  C      -7.059311      1.659269      0.516441
  N      -7.681502      0.599573      0.086500
  C      -7.205941     -0.609298      0.524074
  C      -7.901990     -1.780654      0.155463
  C      -7.468364     -3.008996      0.611363
  C      -6.320178     -3.107203      1.429010
  C      -5.608404     -1.980062      1.785596
  C      -6.037828     -0.702720      1.350174
  C      -3.857909      6.310600      5.170516
  C      -2.565261      6.706611      4.413809
  C      -2.349009      5.833227      3.203289
  N      -3.294525      5.921907      2.273673
  C      -3.201437      5.106898      1.193023
  N      -2.238284      4.243806      0.922969
  C      -1.243891      4.147117      1.854299
  C      -0.184545      3.233470      1.626797
  C       0.833416      3.106799      2.548048
  C       0.836949      3.891628      3.724985
  C      -0.179394      4.791889      3.968336
  C      -1.249049      4.935616      3.049032
  C      -7.160255      1.811277      5.549330
  C      -7.031787      0.365297      5.064813
  C      -8.152923     -0.093086      4.165316
  N      -8.783341      0.830013      3.450642
  C      -9.777247      0.417169      2.618971
  N     -10.221633     -0.810831      2.449676
  C      -9.591715     -1.781622      3.175886
  C     -10.008373     -3.127152      3.030613
  C      -9.353143     -4.131864      3.711829
  C      -8.262405     -3.834012      4.562175
  C      -7.844725     -2.529448      4.732067
  C      -8.501501     -1.474998      4.051144
  H      -3.729726      2.630823      2.121598
  H      -2.274488      1.700811      2.380250
  H      -4.175441     -0.085857      3.346382
  H      -3.403417     -0.145728      1.781730
  H      -7.438330      2.648048      0.247130
  H      -8.792044     -1.675419     -0.464775
  H      -8.021728     -3.912148      0.350667
  H      -6.002745     -4.084804      1.792671
  H      -4.729367     -2.076940      2.422091
  H      -4.679874      6.302199      4.444609
  H      -4.090426      7.084705      5.925661
  H      -2.704448      7.739112      4.060583
  H      -1.702365      6.716673      5.089960
  H      -4.003813      5.208750      0.455378
  H      -0.196239      2.666042      0.694732
  H       1.657091      2.416058      2.359458
  H       1.664131      3.800816      4.431219
  H      -0.142855      5.420747      4.858446
  H      -7.968245      1.895102      6.298971
  H      -7.453562      2.441813      4.703603
  H      -6.096302      0.303382      4.482440
  H      -6.917958     -0.325015      5.912905
  H     -10.245216      1.207815      2.024996
  H     -10.844853     -3.335847      2.362292
  H      -9.669140     -5.168471      3.587384
  H      -7.747060     -4.643711      5.080950
  H      -6.989510     -2.315164      5.371789
  N      -5.506758      3.781756      3.568412
  N      -5.967350      3.876259      2.483746
  H      -5.752828      2.778026      1.812103
89
Coordinates from ORCA-job orca E -6140.474251473324
  N      -3.311862      2.185430      4.116867
  Mo     -4.575146      3.331101      5.120115
  N      -5.915520      2.298659      6.114057
  C      -5.573579      1.769411      7.438166
  C      -4.085380      1.449677      7.459687
  N      -3.341070      2.569723      6.826381
  C      -2.056764      2.126371      6.220820
  C      -2.327427      1.427839      4.895524
  C      -3.174269      3.705137      7.774552
  C      -2.940585      4.987098      6.996824
  N      -3.819516      5.012636      5.832287
  H      -1.374390      1.349304      4.340778
  H      -2.666086      0.386552      5.072635
  H      -1.455700      3.025564      6.036711
  H      -1.502181      1.477620      6.919712
  H      -3.144259      5.855283      7.649330
  H      -1.880865      5.074002      6.694583
  H      -4.115877      3.790269      8.333925
  H      -2.362232      3.496704      8.490714
  H      -6.137036      0.846015      7.649114
  H      -5.843222      2.492238      8.228386
  H      -3.902969      0.548946      6.857810
  H      -3.707971      1.267268      8.480493
  C      -3.328844      1.817120      2.704070
  C      -4.060210      0.493070      2.394207
  C      -5.386799      0.522131      1.681413
  N      -5.941774      1.667656      1.280330
  C      -7.081671      1.659350      0.517316
  N      -7.709220      0.597957      0.098331
  C      -7.229345     -0.609219      0.535549
  C      -7.927197     -1.782661      0.176628
  C      -7.488233     -3.009118      0.632318
  C      -6.333363     -3.103745      1.440958
  C      -5.620322     -1.974595      1.788518
  C      -6.054471     -0.699093      1.352063
  C      -3.858030      6.310426      5.157369
  C      -2.559023      6.710310      4.414844
  C      -2.325253      5.837496      3.207636
  N      -3.259533      5.921880      2.266367
  C      -3.146564      5.110567      1.184943
  N      -2.176840      4.251664      0.926970
  C      -1.194980      4.157222      1.871789
  C      -0.130558      3.246227      1.658925
  C       0.876047      3.123509      2.593224
  C       0.863258      3.910486      3.768719
  C      -0.158901      4.807883      3.998373
  C      -1.218237      4.946288      3.066158
  C      -7.164917      1.807107      5.541272
  C      -7.040155      0.358715      5.061677
  C      -8.169860     -0.102854      4.174450
  N      -8.817454      0.819665      3.474742
  C      -9.820407      0.404085      2.655209
  N     -10.256424     -0.826554      2.483415
  C      -9.607697     -1.797141      3.193396
  C     -10.014473     -3.145170      3.043365
  C      -9.341973     -4.149036      3.708708
  C      -8.243828     -3.847476      4.548057
  C      -7.835504     -2.540563      4.722598
  C      -8.509348     -1.486894      4.057132
  H      -3.745718      2.637793      2.107230
  H      -2.286660      1.711894      2.359187
  H      -4.177766     -0.082538      3.327232
  H      -3.414397     -0.136441      1.758196
  H      -7.463072      2.646752      0.246095
  H      -8.822551     -1.680509     -0.436453
  H      -8.042244     -3.913762      0.378373
  H      -6.011098     -4.080049      1.803946
  H      -4.735591     -2.068510      2.417482
  H      -4.673582      6.301485      4.424274
  H      -4.098107      7.083357      5.911332
  H      -2.697316      7.742234      4.059316
  H      -1.703727      6.723293      5.100455
  H      -3.937281      5.212427      0.434735
  H      -0.128256      2.676725      0.728074
  H       1.703483      2.434180      2.416374
  H       1.682039      3.823349      4.485062
  H      -0.135565      5.437852      4.888038
  H      -7.972460      1.894372      6.291046
  H      -7.458191      2.435254      4.693777
  H      -6.108975      0.291690      4.473071
  H      -6.921867     -0.328353      5.911690
  H     -10.305047      1.194342      2.074348
  H     -10.857495     -3.356056      2.384025
  H      -9.650756     -5.187457      3.581007
  H      -7.715957     -4.656166      5.055723
  H      -6.975867     -2.324298      5.356030
  N      -5.518540      3.784320      3.559476
  N      -5.979902      3.883257      2.474664
  H      -5.766706      2.794437      1.803488
89
Coordinates from ORCA-job orca E -6140.474428548125
  N      -3.319545      2.195428      4.094048
  Mo     -4.581438      3.334212      5.104480
  N      -5.917764      2.295888      6.098114
  C      -5.572037      1.764698      7.420757
  C      -4.083594      1.444829      7.436823
  N      -3.342123      2.567595      6.804640
  C      -2.058547      2.129103      6.193234
  C      -2.332048      1.435389      4.866191
  C      -3.174349      3.699344      7.756694
  C      -2.943261      4.984283      6.983462
  N      -3.823029      5.013801      5.819133
  H      -1.381014      1.360409      4.307678
  H      -2.669645      0.393216      5.039353
  H      -1.459719      3.030064      6.009784
  H      -1.500428      1.478946      6.887936
  H      -3.146461      5.850029      7.639172
  H      -1.883854      5.072000      6.680036
  H      -4.114297      3.781662      8.319244
  H      -2.360178      3.488774      8.469853
  H      -6.134649      0.841011      7.632228
  H      -5.840030      2.485911      8.213043
  H      -3.902880      0.546195      6.831411
  H      -3.702956      1.259361      8.455843
  C      -3.343331      1.833293      2.680169
  C      -4.065088      0.504935      2.369442
  C      -5.402812      0.527069      1.677015
  N      -5.972384      1.669577      1.288290
  C      -7.125859      1.651519      0.546570
  N      -7.753110      0.585719      0.136861
  C      -7.253284     -0.618376      0.559372
  C      -7.942872     -1.798015      0.204354
  C      -7.480543     -3.022078      0.642572
  C      -6.311460     -3.108360      1.431552
  C      -5.607181     -1.972816      1.775870
  C      -6.063643     -0.699799      1.354724
  C      -3.856079      6.313372      5.147245
  C      -2.549809      6.715676      4.420828
  C      -2.298675      5.844672      3.216539
  N      -3.221791      5.925547      2.264127
  C      -3.088370      5.119812      1.181030
  N      -2.113665      4.263780      0.935132
  C      -1.144621      4.170123      1.893209
  C      -0.076954      3.260033      1.694942
  C       0.917251      3.138606      2.642741
  C       0.888058      3.925743      3.817985
  C      -0.138633      4.821433      4.034420
  C      -1.185588      4.958754      3.087831
  C      -7.166624      1.800260      5.525770
  C      -7.045444      0.349499      5.049802
  C      -8.183593     -0.113518      4.173930
  N      -8.840140      0.808480      3.482033
  C      -9.851623      0.391642      2.673431
  N     -10.287257     -0.839697      2.505573
  C      -9.629566     -1.809822      3.208162
  C     -10.039212     -3.157859      3.065352
  C      -9.362572     -4.160723      3.727987
  C      -8.256231     -3.857932      4.555948
  C      -7.844396     -2.551086      4.722899
  C      -8.523269     -1.498090      4.061177
  H      -3.772182      2.653057      2.091701
  H      -2.302687      1.739245      2.327992
  H      -4.165057     -0.078804      3.299252
  H      -3.421533     -0.113533      1.720426
  H      -7.522084      2.635691      0.284616
  H      -8.849148     -1.703083     -0.393681
  H      -8.025667     -3.931909      0.388670
  H      -5.970131     -4.083376      1.780361
  H      -4.710204     -2.060201      2.388136
  H      -4.664742      6.306280      4.406443
  H      -4.102297      7.084751      5.900715
  H      -2.685100      7.747722      4.064133
  H      -1.702809      6.728715      5.116498
  H      -3.869207      5.219789      0.420340
  H      -0.062252      2.687877      0.765947
  H       1.746598      2.448557      2.478192
  H       1.696601      3.838702      4.545774
  H      -0.129171      5.449428      4.925623
  H      -7.974455      1.889912      6.274945
  H      -7.459254      2.426691      4.676822
  H      -6.118421      0.276718      4.455442
  H      -6.924001     -0.334491      5.901650
  H     -10.346569      1.181181      2.100332
  H     -10.889374     -3.369068      2.415371
  H      -9.675852     -5.199008      3.608815
  H      -7.726310     -4.665505      5.063294
  H      -6.981092     -2.335075      5.351842
  N      -5.531272      3.793368      3.550183
  N      -5.996812      3.899663      2.466374
  H      -5.806487      2.817598      1.803552
89
Coordinates from ORCA-job orca E -6140.474605128386
  N      -3.337724      2.196369      4.087080
  Mo     -4.590157      3.345800      5.095482
  N      -5.933675      2.314502      6.087071
  C      -5.593226      1.787267      7.412949
  C      -4.107867      1.453212      7.430024
  N      -3.356439      2.569027      6.796817
  C      -2.076510      2.119682      6.185357
  C      -2.356349      1.428380      4.858504
  C      -3.179296      3.698874      7.749257
  C      -2.939519      4.982555      6.977079
  N      -3.818657      5.018670      5.812004
  H      -1.406659      1.345063      4.298964
  H      -2.702869      0.389313      5.032001
  H      -1.469837      3.015426      6.001924
  H      -1.524070      1.464570      6.879887
  H      -3.137342      5.849265      7.633058
  H      -1.879315      5.063371      6.674301
  H      -4.118122      3.787813      8.312609
  H      -2.366298      3.481480      8.461664
  H      -6.164596      0.870324      7.629995
  H      -5.854334      2.515614      8.200910
  H      -3.935456      0.552336      6.825621
  H      -3.729374      1.265446      8.449404
  C      -3.361947      1.838395      2.672391
  C      -4.083796      0.511460      2.357688
  C      -5.424464      0.537714      1.670987
  N      -5.990808      1.682278      1.284624
  C      -7.149747      1.667052      0.551977
  N      -7.784008      0.603069      0.147051
  C      -7.283832     -0.602687      0.563949
  C      -7.977480     -1.780633      0.210657
  C      -7.514471     -3.006381      0.643381
  C      -6.341100     -3.096175      1.425656
  C      -5.633189     -1.962436      1.768377
  C      -6.089823     -0.687710      1.352206
  C      -3.840965      6.318534      5.140175
  C      -2.528181      6.715242      4.424362
  C      -2.271032      5.847834      3.219276
  N      -3.183148      5.939846      2.257326
  C      -3.036974      5.146419      1.166810
  N      -2.064079      4.287447      0.925555
  C      -1.109694      4.177514      1.896360
  C      -0.046999      3.259999      1.705415
  C       0.932372      3.122156      2.666350
  C       0.892264      3.898778      3.848430
  C      -0.130628      4.800299      4.058749
  C      -1.161894      4.955844      3.097738
  C      -7.176083      1.809519      5.507767
  C      -7.043349      0.356241      5.041532
  C      -8.183615     -0.125778      4.179386
  N      -8.860232      0.785409      3.492717
  C      -9.871508      0.352033      2.692614
  N     -10.287072     -0.886452      2.526910
  C      -9.607956     -1.845835      3.223910
  C      -9.994760     -3.200607      3.081592
  C      -9.298090     -4.192179      3.740376
  C      -8.193489     -3.870986      4.563630
  C      -7.802649     -2.557482      4.728940
  C      -8.502294     -1.515740      4.070822
  H      -3.791024      2.659773      2.087540
  H      -2.321305      1.745599      2.320400
  H      -4.180454     -0.076587      3.285036
  H      -3.442142     -0.103986      1.703864
  H      -7.544862      2.652087      0.291441
  H      -8.886833     -1.683300     -0.382282
  H      -8.062235     -3.914956      0.390417
  H      -5.999399     -4.072460      1.770504
  H      -4.732526     -2.052670      2.374769
  H      -4.644753      6.315462      4.393806
  H      -4.088125      7.090854      5.892227
  H      -2.654934      7.749265      4.070160
  H      -1.686492      6.720583      5.126376
  H      -3.807680      5.256793      0.397347
  H      -0.024533      2.694703      0.772478
  H       1.757444      2.425479      2.508520
  H       1.688329      3.797053      4.587923
  H      -0.130267      5.417772      4.957199
  H      -7.989786      1.899008      6.250473
  H      -7.464967      2.430116      4.653170
  H      -6.120915      0.288812      4.439616
  H      -6.906643     -0.319477      5.897303
  H     -10.385972      1.133162      2.125318
  H     -10.844295     -3.425852      2.435560
  H      -9.594456     -5.235491      3.622301
  H      -7.648059     -4.669618      5.068695
  H      -6.939992     -2.327647      5.354025
  N      -5.539363      3.811764      3.544050
  N      -6.011145      3.922155      2.461867
  H      -5.825393      2.849659      1.800056
89
Coordinates from ORCA-job orca E -6140.474713917517
  N      -3.349291      2.201828      4.068787
  Mo     -4.598084      3.349951      5.081792
  N      -5.939758      2.316375      6.073895
  C      -5.597388      1.789423      7.399486
  C      -4.112811      1.451241      7.411934
  N      -3.361246      2.567406      6.779053
  C      -2.083111      2.118513      6.163361
  C      -2.366851      1.430860      4.835510
  C      -3.181077      3.694625      7.733860
  C      -2.942108      4.980251      6.964971
  N      -3.821775      5.020195      5.800160
  H      -1.418877      1.348181      4.273089
  H      -2.714195      0.391825      5.007099
  H      -1.475940      3.014124      5.980427
  H      -1.529702      1.460993      6.854819
  H      -3.139052      5.845299      7.623378
  H      -1.882039      5.061179      6.661510
  H      -4.118271      3.782357      8.300057
  H      -2.366366      3.474861      8.443576
  H      -6.171091      0.874749      7.619730
  H      -5.853810      2.519568      8.187239
  H      -3.944306      0.551443      6.804921
  H      -3.731972      1.260431      8.429881
  C      -3.374261      1.852237      2.652089
  C      -4.090025      0.524449      2.329235
  C      -5.437042      0.548126      1.655047
  N      -6.011893      1.691142      1.277206
  C      -7.180102      1.671415      0.559878
  N      -7.815585      0.605244      0.161742
  C      -7.303561     -0.599042      0.567974
  C      -7.994014     -1.780038      0.218292
  C      -7.517529     -3.004601      0.639544
  C      -6.334630     -3.090210      1.407864
  C      -5.630390     -1.953350      1.747426
  C      -6.099628     -0.679928      1.341163
  C      -3.838328      6.320359      5.128771
  C      -2.520159      6.717815      4.424764
  C      -2.246633      5.849108      3.224655
  N      -3.147387      5.936160      2.251596
  C      -2.981273      5.145837      1.161641
  N      -2.003750      4.288551      0.934575
  C      -1.062600      4.181237      1.918470
  C       0.003406      3.264177      1.743896
  C       0.970036      3.129645      2.718189
  C       0.913598      3.909394      3.897658
  C      -0.113175      4.810096      4.092446
  C      -1.132078      4.961949      3.117654
  C      -7.180635      1.806955      5.494093
  C      -7.048252      0.351595      5.033251
  C      -8.198439     -0.137649      4.188690
  N      -8.893182      0.770112      3.515876
  C      -9.914846      0.330936      2.732165
  N     -10.323788     -0.910254      2.570507
  C      -9.626038     -1.866292      3.253788
  C     -10.007394     -3.223210      3.117239
  C      -9.296025     -4.210839      3.766200
  C      -8.180344     -3.883415      4.571828
  C      -7.793670     -2.567791      4.730484
  C      -8.509393     -1.529809      4.083566
  H      -3.807595      2.675615      2.073818
  H      -2.333472      1.765901      2.298967
  H      -4.175553     -0.073267      3.251416
  H      -3.449339     -0.080455      1.664710
  H      -7.583797      2.654879      0.306501
  H      -8.910511     -1.686278     -0.364132
  H      -8.060854     -3.915838      0.387030
  H      -5.982090     -4.065848      1.743562
  H      -4.721789     -2.040376      2.342328
  H      -4.636438      6.317774      4.376223
  H      -4.090036      7.092836      5.879083
  H      -2.646107      7.750753      4.066886
  H      -1.685496      6.726610      5.134995
  H      -3.742636      5.252224      0.382401
  H       0.038604      2.695991      0.813150
  H       1.797086      2.432424      2.573773
  H       1.699442      3.809690      4.648223
  H      -0.125572      5.428561      4.990091
  H      -7.995369      1.897937      6.235443
  H      -7.468777      2.425182      4.637487
  H      -6.132867      0.282068      4.420810
  H      -6.899861     -0.318702      5.891181
  H     -10.446408      1.109400      2.177117
  H     -10.866162     -3.452961      2.485179
  H      -9.590406     -5.255610      3.655237
  H      -7.624012     -4.678822      5.070058
  H      -6.923798     -2.333394      5.343975
  N      -5.551729      3.820133      3.535393
  N      -6.027779      3.934122      2.454572
  H      -5.843732      2.868077      1.794326
89
Coordinates from ORCA-job orca E -6140.474793247379
  N      -3.373749      2.205992      4.055869
  Mo     -4.611044      3.361854      5.072922
  N      -5.954763      2.334304      6.068979
  C      -5.611522      1.808871      7.395003
  C      -4.129438      1.459532      7.402089
  N      -3.373061      2.571019      6.766366
  C      -2.099817      2.115164      6.145645
  C      -2.392223      1.429810      4.818288
  C      -3.183305      3.696876      7.720871
  C      -2.939560      4.981692      6.952198
  N      -3.820530      5.027153      5.788388
  H      -1.447080      1.342818      4.251869
  H      -2.744258      0.392521      4.990663
  H      -1.488198      3.007498      5.960955
  H      -1.547630      1.453926      6.834532
  H      -3.131236      5.847285      7.611541
  H      -1.879549      5.057423      6.647323
  H      -4.117822      3.789206      8.290647
  H      -2.367315      3.472289      8.427597
  H      -6.191791      0.899878      7.621126
  H      -5.858585      2.543945      8.181044
  H      -3.969976      0.558781      6.794102
  H      -3.746069      1.265864      8.418564
  C      -3.401237      1.863462      2.637306
  C      -4.112985      0.535447      2.307188
  C      -5.467518      0.557808      1.647983
  N      -6.051975      1.700516      1.284565
  C      -7.229809      1.679547      0.583452
  N      -7.865437      0.612923      0.186241
  C      -7.340399     -0.591574      0.574373
  C      -8.027412     -1.773931      0.222243
  C      -7.537796     -2.999157      0.626101
  C      -6.345059     -3.084005      1.379255
  C      -5.644351     -1.945620      1.721068
  C      -6.126742     -0.671581      1.332184
  C      -3.826699      6.325857      5.113911
  C      -2.502489      6.715893      4.418148
  C      -2.217483      5.839984      3.226207
  N      -3.107759      5.921186      2.242981
  C      -2.925689      5.129264      1.156678
  N      -1.946163      4.270453      0.945495
  C      -1.017709      4.166360      1.941638
  C       0.048555      3.246035      1.785470
  C       1.003169      3.115615      2.772114
  C       0.934880      3.903795      3.945428
  C      -0.092427      4.807607      4.122415
  C      -1.100452      4.954110      3.135462
  C      -7.192494      1.818115      5.487678
  C      -7.052602      0.361659      5.032464
  C      -8.206971     -0.142108      4.202660
  N      -8.925070      0.757106      3.543126
  C      -9.949161      0.304142      2.770257
  N     -10.337512     -0.943238      2.605764
  C      -9.614279     -1.890779      3.274408
  C      -9.970597     -3.253765      3.131191
  C      -9.233636     -4.232200      3.765435
  C      -8.116967     -3.889090      4.563039
  C      -7.753855     -2.567473      4.727361
  C      -8.495345     -1.538905      4.094501
  H      -3.837843      2.688977      2.065050
  H      -2.360736      1.781840      2.282275
  H      -4.185311     -0.072708      3.223568
  H      -3.475356     -0.058549      1.629973
  H      -7.642567      2.662554      0.343214
  H      -8.951606     -1.680902     -0.347982
  H      -8.078482     -3.911611      0.372103
  H      -5.981898     -4.060398      1.701200
  H      -4.727725     -2.032192      2.303600
  H      -4.620335      6.325008      4.356561
  H      -4.078436      7.101857      5.860534
  H      -2.623844      7.746845      4.052823
  H      -1.673913      6.727744      5.135360
  H      -3.676894      5.232925      0.367290
  H       0.093815      2.672128      0.858685
  H       1.829910      2.415154      2.642475
  H       1.711493      3.807169      4.705892
  H      -0.113852      5.431185      5.016288
  H      -8.009776      1.907762      6.226354
  H      -7.480544      2.433054      4.628704
  H      -6.142530      0.295873      4.411616
  H      -6.889845     -0.302507      5.892517
  H     -10.502332      1.075907      2.227144
  H     -10.830755     -3.495457      2.505518
  H      -9.508584     -5.281633      3.649103
  H      -7.540821     -4.677201      5.050224
  H      -6.882515     -2.320670      5.334001
  N      -5.567771      3.837231      3.531075
  N      -6.047987      3.953343      2.451781
  H      -5.880147      2.884527      1.798482
89
Coordinates from ORCA-job orca E -6140.474866593493
  N      -3.394428      2.209851      4.044835
  Mo     -4.622168      3.374206      5.062225
  N      -5.971480      2.351602      6.056515
  C      -5.632282      1.829084      7.384818
  C      -4.153375      1.466137      7.391293
  N      -3.388649      2.572013      6.755480
  C      -2.119243      2.107666      6.133355
  C      -2.417442      1.426344      4.805049
  C      -3.189313      3.695466      7.710766
  C      -2.938544      4.979743      6.943726
  N      -3.820491      5.033023      5.780879
  H      -1.473600      1.334128      4.237241
  H      -2.776294      0.391281      4.976431
  H      -1.501098      2.995892      5.949996
  H      -1.571552      1.441060      6.820676
  H      -3.124482      5.845335      7.604768
  H      -1.878317      5.049345      6.638093
  H      -4.121565      3.793065      8.283261
  H      -2.373019      3.464573      8.415130
  H      -6.221430      0.927372      7.616607
  H      -5.870811      2.570605      8.167263
  H      -4.002638      0.564554      6.782344
  H      -3.770853      1.268627      8.407367
  C      -3.420353      1.875874      2.624247
  C      -4.131496      0.550108      2.286202
  C      -5.490570      0.576700      1.636930
  N      -6.075961      1.721469      1.281951
  C      -7.259517      1.703882      0.590709
  N      -7.899806      0.639214      0.194984
  C      -7.371027     -0.567238      0.571439
  C      -8.058566     -1.748188      0.215282
  C      -7.563901     -2.975593      0.606231
  C      -6.366726     -3.064027      1.351926
  C      -5.665807     -1.927053      1.697674
  C      -6.151953     -0.651048      1.319931
  C      -3.814048      6.330940      5.104785
  C      -2.483599      6.712623      4.417612
  C      -2.190963      5.833562      3.230173
  N      -3.070744      5.915941      2.237555
  C      -2.875653      5.126308      1.151809
  N      -1.895744      4.265616      0.951211
  C      -0.980252      4.157235      1.958736
  C       0.084521      3.232979      1.815431
  C       1.027064      3.099598      2.813213
  C       0.948290      3.889114      3.984964
  C      -0.077722      4.796776      4.149591
  C      -1.074638      4.945512      3.151567
  C      -7.201074      1.824014      5.467318
  C      -7.047563      0.365869      5.020488
  C      -8.203329     -0.158156      4.205731
  N      -8.943649      0.728347      3.553508
  C      -9.970841      0.257385      2.795392
  N     -10.342031     -0.996243      2.639366
  C      -9.596507     -1.930743      3.301945
  C      -9.936746     -3.299026      3.170898
  C      -9.180647     -4.263986      3.803265
  C      -8.058940     -3.901737      4.585187
  C      -7.710586     -2.574632      4.736771
  C      -8.472813     -1.559485      4.106732
  H      -3.856526      2.704890      2.057162
  H      -2.379524      1.795930      2.269878
  H      -4.196390     -0.066801      3.197186
  H      -3.496915     -0.036145      1.599429
  H      -7.674401      2.688021      0.358749
  H      -8.986148     -1.652597     -0.348997
  H      -8.103217     -3.887243      0.346712
  H      -5.999432     -4.042269      1.663484
  H      -4.744946     -2.016452      2.273040
  H      -4.603569      6.334523      4.343041
  H      -4.064404      7.109720      5.848985
  H      -2.598345      7.743130      4.048728
  H      -1.660329      6.722824      5.140925
  H      -3.616079      5.233511      0.352781
  H       0.137271      2.657219      0.890219
  H       1.852073      2.395242      2.694191
  H       1.715434      3.789836      4.754586
  H      -0.107082      5.420145      5.043332
  H      -8.024877      1.910908      6.198965
  H      -7.486429      2.433963      4.604045
  H      -6.141798      0.305240      4.392640
  H      -6.869291     -0.289089      5.884604
  H     -10.543938      1.018758      2.258300
  H     -10.801537     -3.555504      2.557623
  H      -9.445210     -5.317399      3.698848
  H      -7.468265     -4.679319      5.071885
  H      -6.836835     -2.312494      5.333599
  N      -5.579206      3.856284      3.524120
  N      -6.066824      3.975025      2.447665
  H      -5.901471      2.911673      1.793207
89
Coordinates from ORCA-job orca E -6140.474958182642
  N      -3.419685      2.206508      4.045756
  Mo     -4.630586      3.391809      5.057308
  N      -5.992082      2.385117      6.051363
  C      -5.662525      1.866337      7.383123
  C      -4.189516      1.479677      7.391606
  N      -3.408966      2.574352      6.755271
  C      -2.145186      2.093717      6.135034
  C      -2.449227      1.415521      4.806006
  C      -3.195744      3.696153      7.709531
  C      -2.931629      4.977803      6.942556
  N      -3.814023      5.042189      5.780523
  H      -1.506239      1.316304      4.237981
  H      -2.816807      0.383566      4.977337
  H      -1.515836      2.974508      5.953499
  H      -1.606750      1.420040      6.822828
  H      -3.108916      5.844246      7.605111
  H      -1.870806      5.037220      6.637361
  H      -4.125595      3.803727      8.283883
  H      -2.380790      3.456784      8.412636
  H      -6.268007      0.977614      7.622415
  H      -5.887014      2.618480      8.159367
  H      -4.052759      0.575882      6.782661
  H      -3.810356      1.277034      8.407925
  C      -3.441216      1.880450      2.622554
  C      -4.149413      0.556888      2.270896
  C      -5.511731      0.585403      1.628556
  N      -6.102524      1.731372      1.287483
  C      -7.291867      1.715869      0.606669
  N      -7.932218      0.652620      0.206421
  C      -7.394491     -0.555339      0.564090
  C      -8.078635     -1.735599      0.198647
  C      -7.574972     -2.965043      0.571330
  C      -6.372236     -3.056109      1.307791
  C      -5.674871     -1.919751      1.662428
  C      -6.169901     -0.641733      1.303015
  C      -3.793748      6.338372      5.101602
  C      -2.459563      6.708223      4.416311
  C      -2.169424      5.828051      3.229266
  N      -3.038583      5.924434      2.228399
  C      -2.837260      5.141803      1.138565
  N      -1.865992      4.269873      0.944485
  C      -0.964727      4.143254      1.962398
  C       0.090013      3.205959      1.826606
  C       1.020247      3.056990      2.833496
  C       0.940078      3.844553      4.006440
  C      -0.076192      4.764310      4.164005
  C      -1.062607      4.927502      3.157702
  C      -7.212600      1.848487      5.450806
  C      -7.046932      0.387475      5.017545
  C      -8.202864     -0.159004      4.219123
  N      -8.968421      0.712940      3.576325
  C      -9.995100      0.221078      2.830625
  N     -10.341278     -1.039888      2.676980
  C      -9.568451     -1.959503      3.329180
  C      -9.879135     -3.334711      3.197826
  C      -9.095805     -4.283945      3.820981
  C      -7.974800     -3.898704      4.592875
  C      -7.654079     -2.564581      4.743292
  C      -8.444757     -1.565442      4.122712
  H      -3.875663      2.713548      2.060618
  H      -2.399190      1.802495      2.271643
  H      -4.206839     -0.071399      3.174522
  H      -3.514743     -0.017944      1.574613
  H      -7.712390      2.700570      0.387558
  H      -9.010265     -1.637895     -0.358549
  H      -8.111209     -3.876381      0.304302
  H      -5.997646     -4.036127      1.604784
  H      -4.749373     -2.011179      2.229940
  H      -4.582521      6.347762      4.338926
  H      -4.037523      7.121261      5.843707
  H      -2.566544      7.739554      4.047409
  H      -1.637419      6.712150      5.140950
  H      -3.566124      5.263379      0.331022
  H       0.143736      2.632954      0.899736
  H       1.837089      2.342168      2.720846
  H       1.698309      3.733253      4.783183
  H      -0.105062      5.384907      5.059565
  H      -8.045609      1.935684      6.171780
  H      -7.489753      2.452734      4.580922
  H      -6.144807      0.328867      4.384066
  H      -6.853055     -0.254255      5.888395
  H     -10.591691      0.970681      2.302616
  H     -10.743913     -3.609291      2.592427
  H      -9.338220     -5.342675      3.716915
  H      -7.362575     -4.664140      5.072081
  H      -6.780195     -2.282516      5.330710
  N      -5.579782      3.880637      3.520021
  N      -6.074175      3.999314      2.445443
  H      -5.922933      2.935152      1.799147
89
Coordinates from ORCA-job orca E -6140.475049668056
  N      -3.453015      2.200354      4.056194
  Mo     -4.644131      3.412115      5.057587
  N      -6.025165      2.428608      6.048948
  C      -5.711101      1.920813      7.388623
  C      -4.246136      1.503305      7.405942
  N      -3.442855      2.579104      6.765556
  C      -2.187250      2.072176      6.150556
  C      -2.499343      1.395014      4.822657
  C      -3.208486      3.701686      7.714011
  C      -2.922765      4.975550      6.941307
  N      -3.806851      5.052247      5.781322
  H      -1.556290      1.278800      4.258190
  H      -2.885661      0.370304      4.995762
  H      -1.540771      2.940524      5.968157
  H      -1.663295      1.390621      6.841866
  H      -3.083923      5.846676      7.601948
  H      -1.861532      5.015129      6.633991
  H      -4.134405      3.828132      8.290667
  H      -2.396040      3.451573      8.416395
  H      -6.338087      1.050615      7.639553
  H      -5.919488      2.688957      8.153393
  H      -4.126210      0.593912      6.801753
  H      -3.874162      1.298799      8.424546
  C      -3.459621      1.884300      2.630144
  C      -4.169531      0.567126      2.259826
  C      -5.533129      0.606966      1.620319
  N      -6.119617      1.758314      1.289959
  C      -7.312399      1.753649      0.615494
  N      -7.960057      0.696628      0.210135
  C      -7.424257     -0.516448      0.552316
  C      -8.113116     -1.690840      0.176557
  C      -7.611633     -2.925630      0.533817
  C      -6.406904     -3.028250      1.265669
  C      -5.705357     -1.897809      1.630785
  C      -6.197318     -0.614454      1.285867
  C      -3.767037      6.344819      5.096783
  C      -2.428269      6.694676      4.411942
  C      -2.148478      5.811262      3.225135
  N      -3.015957      5.916151      2.223611
  C      -2.819156      5.133836      1.132714
  N      -1.856598      4.252201      0.939394
  C      -0.958780      4.114522      1.959106
  C       0.085202      3.164863      1.825580
  C       1.009522      3.002759      2.835879
  C       0.934782      3.789767      4.009513
  C      -0.070368      4.722170      4.164466
  C      -1.051451      4.898615      3.155065
  C      -7.228747      1.873590      5.430636
  C      -7.035691      0.412005      5.009572
  C      -8.184140     -0.166607      4.224315
  N      -8.980098      0.683823      3.589467
  C     -10.001570      0.162781      2.856257
  N     -10.313699     -1.107547      2.706340
  C      -9.508497     -2.005025      3.350313
  C      -9.781997     -3.388547      3.223542
  C      -8.967057     -4.314714      3.840931
  C      -7.849946     -3.897536      4.601770
  C      -7.564843     -2.554913      4.747040
  C      -8.388726     -1.579078      4.132453
  H      -3.882246      2.724157      2.069576
  H      -2.413670      1.802564      2.291612
  H      -4.225064     -0.074969      3.153628
  H      -3.536178      0.002601      1.553992
  H      -7.730148      2.742006      0.407713
  H      -9.046326     -1.584323     -0.376371
  H      -8.150838     -3.832534      0.257551
  H      -6.033690     -4.012579      1.549926
  H      -4.778373     -1.997820      2.194337
  H      -4.555960      6.362695      4.334380
  H      -3.998883      7.134778      5.835316
  H      -2.521766      7.727166      4.042296
  H      -1.605914      6.688097      5.136311
  H      -3.544675      5.263974      0.323473
  H       0.133020      2.589862      0.899615
  H       1.816876      2.276794      2.726144
  H       1.688067      3.667328      4.789337
  H      -0.094602      5.340257      5.061932
  H      -8.075374      1.953021      6.136394
  H      -7.499011      2.471233      4.554261
  H      -6.134156      0.363761      4.374211
  H      -6.824882     -0.215818      5.887030
  H     -10.625157      0.895005      2.335059
  H     -10.644870     -3.688079      2.627293
  H      -9.181738     -5.379867      3.741702
  H      -7.212986     -4.645019      5.077034
  H      -6.695003     -2.246308      5.327243
  N      -5.582007      3.908143      3.518163
  N      -6.082180      4.024142      2.445453
  H      -5.935953      2.961708      1.801557
89
Coordinates from ORCA-job orca E -6140.475128148431
  N      -3.493666      2.198745      4.062499
  Mo     -4.660359      3.438444      5.056857
  N      -6.064110      2.481383      6.043583
  C      -5.766300      1.980724      7.389529
  C      -4.311086      1.529147      7.415630
  N      -3.482308      2.583842      6.773005
  C      -2.237716      2.046590      6.162165
  C      -2.560651      1.374116      4.834280
  C      -3.223071      3.704025      7.717847
  C      -2.912589      4.970243      6.942034
  N      -3.797780      5.064324      5.784509
  H      -1.618076      1.237708      4.273777
  H      -2.969948      0.358473      5.007329
  H      -1.570284      2.899154      5.979969
  H      -1.731310      1.354078      6.855786
  H      -3.054603      5.844855      7.602666
  H      -1.851502      4.987408      6.632286
  H      -4.144074      3.850768      8.297368
  H      -2.413814      3.439358      8.418668
  H      -6.416357      1.130210      7.648360
  H      -5.956956      2.762352      8.144962
  H      -4.210178      0.615139      6.814825
  H      -3.947022      1.320389      8.436237
  C      -3.482666      1.895694      2.633279
  C      -4.193331      0.584884      2.242826
  C      -5.560479      0.629924      1.611000
  N      -6.151618      1.782928      1.294646
  C      -7.348962      1.781883      0.628266
  N      -7.996474      0.727343      0.216045
  C      -7.453766     -0.487599      0.539818
  C      -8.139127     -1.660279      0.152055
  C      -7.630105     -2.897243      0.490582
  C      -6.421752     -3.003823      1.215819
  C      -5.723783     -1.875086      1.592463
  C      -6.222845     -0.589525      1.266008
  C      -3.732450      6.354786      5.098169
  C      -2.386017      6.680474      4.416940
  C      -2.119606      5.796480      3.227541
  N      -2.984682      5.918090      2.225761
  C      -2.799654      5.135993      1.132685
  N      -1.851247      4.239728      0.937423
  C      -0.956719      4.084173      1.957544
  C       0.070144      3.116444      1.822747
  C       0.989415      2.934293      2.834201
  C       0.926801      3.718989      4.010096
  C      -0.061732      4.668859      4.166244
  C      -1.038025      4.865680      3.155941
  C      -7.248057      1.906210      5.405630
  C      -7.028881      0.442663      5.005648
  C      -8.167151     -0.169967      4.232612
  N      -8.995769      0.655441      3.606269
  C     -10.010146      0.101720      2.886666
  N     -10.284982     -1.177839      2.742140
  C      -9.445628     -2.049309      3.378087
  C      -9.678549     -3.440783      3.257685
  C      -8.829076     -4.340175      3.868041
  C      -7.716564     -3.887621      4.615318
  C      -7.470724     -2.536643      4.754092
  C      -8.330602     -1.587989      4.146194
  H      -3.891952      2.743086      2.074211
  H      -2.432640      1.810047      2.308339
  H      -4.241437     -0.073599      3.124914
  H      -3.561796      0.035387      1.523584
  H      -7.770676      2.771294      0.433987
  H      -9.075536     -1.550764     -0.394824
  H      -8.166232     -3.803066      0.204857
  H      -6.042692     -3.989993      1.485531
  H      -4.793974     -1.977936      2.150727
  H      -4.519870      6.386918      4.334793
  H      -3.950821      7.149919      5.835478
  H      -2.459786      7.715482      4.049694
  H      -1.565377      6.657365      5.142865
  H      -3.521796      5.280585      0.322911
  H       0.108280      2.542980      0.895372
  H       1.783629      2.194066      2.723724
  H       1.676571      3.580884      4.790690
  H      -0.075554      5.284109      5.065933
  H      -8.110252      1.982181      6.092658
  H      -7.507513      2.493274      4.518941
  H      -6.124870      0.399362      4.373234
  H      -6.807375     -0.166809      5.893944
  H     -10.661895      0.813276      2.371393
  H     -10.538966     -3.768062      2.672530
  H      -9.012894     -5.411525      3.774044
  H      -7.052235     -4.614415      5.085157
  H      -6.605078     -2.198618      5.324160
  N      -5.581845      3.946458      3.513782
  N      -6.082422      4.060262      2.440969
  H      -5.949610      2.991996      1.803554
89
Coordinates from ORCA-job orca E -6140.475201639296
  N      -3.513189      2.178681      4.077840
  Mo     -4.661476      3.447467      5.055551
  N      -6.083815      2.519781      6.044020
  C      -5.801967      2.029206      7.396033
  C      -4.354853      1.551698      7.434514
  N      -3.505667      2.586430      6.786541
  C      -2.269630      2.021623      6.184507
  C      -2.599004      1.342838      4.861160
  C      -3.228487      3.709976      7.722518
  C      -2.901103      4.966200      6.936852
  N      -3.791912      5.069951      5.784529
  H      -1.655859      1.187097      4.307120
  H      -3.027978      0.336311      5.038709
  H      -1.585857      2.859946      5.995192
  H      -1.777550      1.326448      6.885885
  H      -3.023688      5.845933      7.594753
  H      -1.842053      4.962440      6.620172
  H      -4.144466      3.874212      8.305153
  H      -2.420125      3.439747      8.422446
  H      -6.471707      1.196386      7.661579
  H      -5.980000      2.823596      8.141072
  H      -4.267230      0.631765      6.840534
  H      -3.998981      1.344651      8.458287
  C      -3.482716      1.879084      2.646638
  C      -4.194356      0.575679      2.234389
  C      -5.562236      0.634697      1.604389
  N      -6.144960      1.794932      1.299244
  C      -7.344032      1.808393      0.636882
  N      -8.001771      0.762657      0.218185
  C      -7.466069     -0.459019      0.527286
  C      -8.160130     -1.622989      0.128351
  C      -7.657523     -2.866709      0.449997
  C      -6.447416     -2.989453      1.170013
  C      -5.741448     -1.869586      1.558169
  C      -6.233513     -0.576922      1.248291
  C      -3.720782      6.358661      5.096957
  C      -2.374533      6.676024      4.411126
  C      -2.119296      5.790586      3.220544
  N      -2.983041      5.923538      2.219042
  C      -2.811874      5.135384      1.128050
  N      -1.878037      4.223140      0.935041
  C      -0.982806      4.058511      1.953554
  C       0.030254      3.075894      1.820072
  C       0.948362      2.883800      2.830776
  C       0.898822      3.673107      4.004266
  C      -0.075782      4.637605      4.158752
  C      -1.050796      4.844749      3.149393
  C      -7.256095      1.935089      5.394287
  C      -7.024481      0.467878      5.017702
  C      -8.151721     -0.164077      4.245511
  N      -9.002375      0.645351      3.628714
  C     -10.009966      0.071155      2.915311
  N     -10.257623     -1.213890      2.768645
  C      -9.393133     -2.068782      3.393716
  C      -9.594265     -3.465123      3.270209
  C      -8.718335     -4.346269      3.870187
  C      -7.610699     -3.870303      4.610124
  C      -7.396135     -2.514500      4.752050
  C      -8.283222     -1.584652      4.154230
  H      -3.876587      2.731720      2.084243
  H      -2.427540      1.786752      2.340529
  H      -4.241249     -0.099111      3.104018
  H      -3.563229      0.039593      1.504738
  H      -7.758369      2.802676      0.451423
  H      -9.097781     -1.500856     -0.413701
  H      -8.200843     -3.765571      0.155880
  H      -6.073411     -3.981126      1.426344
  H      -4.810774     -1.984337      2.112573
  H      -4.511186      6.395105      4.337119
  H      -3.929902      7.156852      5.833831
  H      -2.444109      7.711521      4.044237
  H      -1.550738      6.648294      5.133469
  H      -3.534137      5.286943      0.319523
  H       0.060013      2.499515      0.894114
  H       1.732225      2.132451      2.721188
  H       1.648298      3.527213      4.783754
  H      -0.077797      5.255635      5.056745
  H      -8.129869      2.014959      6.066096
  H      -7.504542      2.513160      4.498278
  H      -6.110222      0.416352      4.400173
  H      -6.812197     -0.126015      5.919530
  H     -10.681608      0.770022      2.408462
  H     -10.451962     -3.810820      2.691628
  H      -8.877022     -5.421437      3.773588
  H      -6.925359     -4.583009      5.071283
  H      -6.535025     -2.155704      5.316350
  N      -5.561367      3.957578      3.504285
  N      -6.060084      4.064456      2.429184
  H      -5.938485      2.995581      1.803859
89
Coordinates from ORCA-job orca E -6140.475243723975
  N      -3.536330      2.170825      4.087448
  Mo     -4.668141      3.457178      5.062140
  N      -6.102265      2.550497      6.053269
  C      -5.826509      2.073639      7.411417
  C      -4.386909      1.573098      7.454626
  N      -3.522120      2.589443      6.797814
  C      -2.297321      2.000188      6.196436
  C      -2.639985      1.320174      4.877265
  C      -3.223454      3.713491      7.726614
  C      -2.884500      4.960976      6.932211
  N      -3.785568      5.073536      5.788461
  H      -1.699244      1.141861      4.325929
  H      -3.090135      0.324033      5.059815
  H      -1.599294      2.824896      5.999485
  H      -1.815706      1.300881      6.901042
  H      -2.984804      5.845535      7.587200
  H      -1.829375      4.937090      6.603733
  H      -4.132581      3.893426      8.315462
  H      -2.413621      3.435792      8.421935
  H      -6.511078      1.256872      7.688768
  H      -5.989399      2.881182      8.145471
  H      -4.313980      0.646727      6.868586
  H      -4.034374      1.369358      8.480174
  C      -3.489412      1.877763      2.654972
  C      -4.194419      0.578089      2.221603
  C      -5.563993      0.637013      1.595647
  N      -6.151146      1.797010      1.298799
  C      -7.351676      1.810434      0.639220
  N      -8.006351      0.765089      0.214728
  C      -7.464941     -0.456675      0.513511
  C      -8.153769     -1.620459      0.104967
  C      -7.643625     -2.864382      0.413153
  C      -6.431876     -2.987693      1.130171
  C      -5.731832     -1.868046      1.528878
  C      -6.230678     -0.574908      1.231496
  C      -3.709876      6.362313      5.102131
  C      -2.364367      6.669796      4.408959
  C      -2.120180      5.779979      3.219028
  N      -2.987393      5.917149      2.221214
  C      -2.830131      5.122160      1.132992
  N      -1.901727      4.204766      0.936651
  C      -1.001568      4.037690      1.950494
  C       0.006548      3.050481      1.812794
  C       0.928598      2.855044      2.819353
  C       0.887532      3.644680      3.992981
  C      -0.081632      4.614149      4.151031
  C      -1.059206      4.825852      3.145382
  C      -7.264442      1.952179      5.398234
  C      -7.021244      0.485537      5.030553
  C      -8.142001     -0.155183      4.256326
  N      -9.005645      0.647025      3.648483
  C     -10.009887      0.064229      2.937193
  N     -10.243914     -1.222975      2.786987
  C      -9.365970     -2.070488      3.403447
  C      -9.553031     -3.468691      3.277815
  C      -8.663733     -4.341873      3.869811
  C      -7.555986     -3.855911      4.603151
  C      -7.355034     -2.498147      4.747226
  C      -8.256501     -1.576688      4.158092
  H      -3.874650      2.734394      2.091993
  H      -2.430374      1.785098      2.362713
  H      -4.233198     -0.115265      3.076850
  H      -3.561028      0.063190      1.478649
  H      -7.769257      2.804484      0.459684
  H      -9.092929     -1.498152     -0.434406
  H      -8.182757     -3.763159      0.111494
  H      -6.052649     -3.979745      1.377046
  H      -4.800402     -1.983210      2.081779
  H      -4.504056      6.404342      4.346673
  H      -3.909245      7.161628      5.840463
  H      -2.428522      7.704989      4.040255
  H      -1.537808      6.638380      5.128052
  H      -3.555767      5.276213      0.328003
  H       0.030944      2.473837      0.886854
  H       1.709024      2.100642      2.706222
  H       1.639927      3.495803      4.769119
  H      -0.075624      5.233655      5.048039
  H      -8.143227      2.028616      6.063848
  H      -7.511318      2.525144      4.498204
  H      -6.101293      0.433814      4.421653
  H      -6.813718     -0.102857      5.937405
  H     -10.691905      0.757751      2.436839
  H     -10.411239     -3.822250      2.704779
  H      -8.811202     -5.418532      3.771306
  H      -6.859868     -4.562456      5.057646
  H      -6.494215     -2.131215      5.306835
  N      -5.560768      3.972946      3.509378
  N      -6.062029      4.075097      2.435119
  H      -5.944831      3.004226      1.812536
89
Coordinates from ORCA-job orca E -6140.475291006198
  N      -3.524269      2.174576      4.078970
  Mo     -4.663913      3.450556      5.059919
  N      -6.092809      2.535765      6.050601
  C      -5.811712      2.055895      7.407057
  C      -4.369092      1.564984      7.446965
  N      -3.510821      2.587201      6.790573
  C      -2.283110      2.005758      6.186767
  C      -2.624277      1.325776      4.867117
  C      -3.218971      3.710672      7.722091
  C      -2.886133      4.960947      6.930092
  N      -3.786393      5.069535      5.784953
  H      -1.683309      1.149120      4.315292
  H      -3.071031      0.328074      5.049572
  H      -1.590342      2.834571      5.989327
  H      -1.796482      1.308749      6.890104
  H      -2.990684      5.844929      7.585015
  H      -1.830705      4.942216      6.602448
  H      -4.130381      3.885215      8.309200
  H      -2.409170      3.435253      8.418199
  H      -6.488730      1.231594      7.681089
  H      -5.980842      2.859053      8.144461
  H      -4.290730      0.638912      6.861312
  H      -4.014385      1.363235      8.472164
  C      -3.486647      1.878853      2.647684
  C      -4.193322      0.577284      2.223503
  C      -5.565703      0.633006      1.603397
  N      -6.154265      1.791806      1.304500
  C      -7.355032      1.802578      0.644947
  N      -8.008360      0.755720      0.222567
  C      -7.466509     -0.465048      0.525267
  C      -8.154954     -1.630108      0.120176
  C      -7.644511     -2.873048      0.432127
  C      -6.432761     -2.993676      1.149523
  C      -5.733045     -1.872536      1.544855
  C      -6.232326     -0.580510      1.243964
  C      -3.716377      6.361824      5.103294
  C      -2.370377      6.678040      4.413269
  C      -2.120173      5.789007      3.223865
  N      -2.986059      5.924875      2.224787
  C      -2.826447      5.130458      1.136664
  N      -1.895755      4.215475      0.940830
  C      -0.995749      4.051318      1.954924
  C       0.016041      3.068366      1.816337
  C       0.940055      2.876922      2.821877
  C       0.897166      3.666438      3.995527
  C      -0.076188      4.631479      4.154793
  C      -1.055918      4.838516      3.150323
  C      -7.261778      1.943557      5.401802
  C      -7.029598      0.474535      5.036737
  C      -8.148464     -0.157306      4.251153
  N      -8.998897      0.649844      3.631533
  C      -9.998544      0.073399      2.908597
  N     -10.241485     -1.212147      2.759129
  C      -9.378418     -2.065016      3.388915
  C      -9.575719     -3.461866      3.264342
  C      -8.699982     -4.340940      3.867574
  C      -7.596241     -3.862233      4.611576
  C      -7.385424     -2.505771      4.754739
  C      -8.272994     -1.578353      4.154217
  H      -3.878808      2.732253      2.084735
  H      -2.429792      1.788512      2.347334
  H      -4.227401     -0.113794      3.080728
  H      -3.563563      0.061014      1.478264
  H      -7.773706      2.795741      0.463257
  H      -9.094141     -1.509891     -0.419604
  H      -8.183492     -3.772900      0.133195
  H      -6.053287     -3.984796      1.399684
  H      -4.801540     -1.986047      2.098018
  H      -4.508477      6.402232      4.345548
  H      -3.923198      7.156380      5.844535
  H      -2.437824      7.712993      4.044837
  H      -1.546262      6.650411      5.135254
  H      -3.553833      5.280824      0.332707
  H       0.043424      2.492905      0.889817
  H       1.724056      2.126474      2.707338
  H       1.651499      3.521283      4.770491
  H      -0.072426      5.252617      5.050586
  H      -8.136817      2.028878      6.071342
  H      -7.508890      2.514414      4.500458
  H      -6.105220      0.414783      4.435752
  H      -6.837048     -0.117212      5.944441
  H     -10.667244      0.770797      2.396059
  H     -10.430082     -3.809515      2.682062
  H      -8.854570     -5.416550      3.769050
  H      -6.910722     -4.573382      5.074949
  H      -6.526588     -2.146497      5.322350
  N      -5.558998      3.965213      3.505662
  N      -6.052074      4.067246      2.428127
  H      -5.935105      2.992701      1.808224
89
Coordinates from ORCA-job orca E -6140.475309196532
  N      -3.516911      2.169945      4.078643
  Mo     -4.658786      3.446735      5.057421
  N      -6.088411      2.532643      6.047000
  C      -5.807977      2.051966      7.403432
  C      -4.365497      1.561588      7.444485
  N      -3.506647      2.584036      6.789053
  C      -2.278161      2.002514      6.187355
  C      -2.618370      1.321524      4.868150
  C      -3.215922      3.707228      7.721238
  C      -2.883960      4.957762      6.929699
  N      -3.785041      5.066084      5.784955
  H      -1.677089      1.142780      4.317479
  H      -3.065989      0.324368      5.051539
  H      -1.585610      2.831584      5.990067
  H      -1.792121      1.306259      6.891780
  H      -2.988512      5.841827      7.584458
  H      -1.828577      4.939662      6.601679
  H      -4.127979      3.881017      8.307469
  H      -2.406508      3.431779      8.417706
  H      -6.484463      1.226824      7.676372
  H      -5.978184      2.854895      8.140788
  H      -4.285908      0.635222      6.859629
  H      -4.011985      1.360525      8.470276
  C      -3.478641      1.872645      2.648161
  C      -4.185567      0.570893      2.225517
  C      -5.557350      0.627502      1.604502
  N      -6.141307      1.787178      1.300584
  C      -7.340350      1.799452      0.637900
  N      -7.996054      0.753109      0.217758
  C      -7.459010     -0.468342      0.526392
  C      -8.150078     -1.632534      0.123312
  C      -7.645033     -2.876077      0.441929
  C      -6.436132     -2.997966      1.163899
  C      -5.733385     -1.877723      1.556354
  C      -6.227178     -0.585219      1.248926
  C      -3.719520      6.360696      5.106860
  C      -2.375649      6.683917      4.416028
  C      -2.124424      5.797615      3.225061
  N      -2.989212      5.937041      2.225427
  C      -2.829281      5.145586      1.135271
  N      -1.899730      4.229730      0.938028
  C      -1.000630      4.062420      1.952242
  C       0.010859      3.079400      1.811624
  C       0.934698      2.885409      2.816819
  C       0.891888      3.672091      3.992345
  C      -0.081517      4.636629      4.154068
  C      -1.061183      4.846204      3.149992
  C      -7.259472      1.943616      5.399189
  C      -7.032972      0.472685      5.037978
  C      -8.152202     -0.156247      4.250368
  N      -9.001297      0.652631      3.631434
  C     -10.001986      0.078563      2.908075
  N     -10.247580     -1.206421      2.758554
  C      -9.385991     -2.061302      3.387720
  C      -9.586628     -3.457638      3.263236
  C      -8.712645     -4.338763      3.866028
  C      -7.607018     -3.862562      4.608814
  C      -7.392978     -2.506543      4.751924
  C      -8.279142     -1.577173      4.152523
  H      -3.871062      2.724853      2.083943
  H      -2.421659      1.781857      2.348284
  H      -4.219429     -0.120068      3.082755
  H      -3.555637      0.054635      1.480238
  H      -7.755822      2.793183      0.451948
  H      -9.086929     -1.511256     -0.420252
  H      -8.185784     -3.775236      0.144137
  H      -6.060816     -3.989393      1.419140
  H      -4.803703     -1.992479      2.112410
  H      -4.512152      6.400734      4.349518
  H      -3.929124      7.151661      5.851018
  H      -2.447792      7.719134      4.049504
  H      -1.550959      6.658071      5.137503
  H      -3.555947      5.298794      0.331211
  H       0.037845      2.506040      0.883819
  H       1.718526      2.135049      2.700538
  H       1.646170      3.524903      4.766974
  H      -0.078435      5.255826      5.051189
  H      -8.133856      2.034539      6.068813
  H      -7.504079      2.512691      4.496037
  H      -6.107458      0.407525      4.439060
  H      -6.845681     -0.118471      5.947160
  H     -10.669357      0.777444      2.395728
  H     -10.442188     -3.803283      2.681529
  H      -8.870182     -5.414005      3.768211
  H      -6.922792     -4.575311      5.071612
  H      -6.532356     -2.149688      5.318236
  N      -5.553701      3.961053      3.502381
  N      -6.047924      4.063976      2.425168
  H      -5.930597      2.992368      1.804477
89
Coordinates from ORCA-job orca E -6140.475326188955
  N      -3.520735      2.163371      4.077731
  Mo     -4.657367      3.448283      5.053202
  N      -6.094094      2.543001      6.039699
  C      -5.818826      2.066797      7.399029
  C      -4.380277      1.565615      7.444157
  N      -3.512783      2.580497      6.787832
  C      -2.287917      1.988926      6.189020
  C      -2.631977      1.308296      4.870656
  C      -3.214377      3.702515      7.719213
  C      -2.876189      4.950147      6.926028
  N      -3.780674      5.063876      5.784026
  H      -1.691425      1.118343      4.322511
  H      -3.089655      0.316035      5.055829
  H      -1.589315      2.812893      5.990927
  H      -1.807740      1.290533      6.895323
  H      -2.971766      5.835802      7.579929
  H      -1.822095      4.923778      6.594298
  H      -4.124840      3.882317      8.306008
  H      -2.406056      3.422296      8.414984
  H      -6.501985      1.248444      7.675512
  H      -5.983331      2.875320      8.131408
  H      -4.305972      0.636850      6.862570
  H      -4.030561      1.365321      8.471453
  C      -3.475857      1.869564      2.647008
  C      -4.180623      0.569568      2.216323
  C      -5.555333      0.627343      1.601691
  N      -6.137948      1.787920      1.298917
  C      -7.339383      1.801844      0.640785
  N      -7.998139      0.756394      0.222988
  C      -7.461507     -0.465795      0.529320
  C      -8.154741     -1.628859      0.126668
  C      -7.650640     -2.873281      0.443540
  C      -6.440602     -2.997005      1.163286
  C      -5.735521     -1.877872      1.554753
  C      -6.228137     -0.584528      1.249045
  C      -3.714993      6.360890      5.110325
  C      -2.372090      6.687092      4.419406
  C      -2.121280      5.803236      3.226791
  N      -2.982986      5.949279      2.225254
  C      -2.823038      5.161000      1.132840
  N      -1.897069      4.241468      0.935375
  C      -1.001357      4.067445      1.951352
  C       0.006847      3.080886      1.810467
  C       0.927164      2.880200      2.817551
  C       0.884670      3.663762      3.995156
  C      -0.085390      4.631546      4.157308
  C      -1.062022      4.847568      3.151577
  C      -7.262783      1.952031      5.389386
  C      -7.036658      0.478416      5.039259
  C      -8.153811     -0.155728      4.252987
  N      -9.010577      0.648033      3.638533
  C     -10.010286      0.068050      2.918422
  N     -10.248434     -1.218378      2.769588
  C      -9.378659     -2.068271      3.394466
  C      -9.571500     -3.465764      3.271052
  C      -8.689682     -4.341549      3.870311
  C      -7.583490     -3.858562      4.607767
  C      -7.376894     -2.501200      4.749653
  C      -8.271553     -1.577512      4.154365
  H      -3.865834      2.722818      2.082827
  H      -2.417258      1.779190      2.352401
  H      -4.206162     -0.131156      3.065607
  H      -3.552250      0.064685      1.461683
  H      -7.754514      2.796019      0.456377
  H      -9.092439     -1.506212     -0.415109
  H      -8.192805     -3.771601      0.145719
  H      -6.065908     -3.989030      1.417177
  H      -4.804628     -1.994418      2.108419
  H      -4.507980      6.403533      4.353361
  H      -3.924417      7.148685      5.857737
  H      -2.445965      7.722833      4.054994
  H      -1.547212      6.660483      5.140813
  H      -3.546520      5.320273      0.327045
  H       0.033620      2.509682      0.881308
  H       1.708070      2.126806      2.701189
  H       1.636466      3.511274      4.771162
  H      -0.082549      5.248534      5.055954
  H      -8.139905      2.049132      6.054468
  H      -7.502009      2.515712      4.481409
  H      -6.108830      0.407058      4.444174
  H      -6.854349     -0.107138      5.953228
  H     -10.684284      0.762993      2.409316
  H     -10.427569     -3.816642      2.693230
  H      -8.841589     -5.417715      3.774067
  H      -6.892946     -4.567111      5.067599
  H      -6.515493     -2.139456      5.311641
  N      -5.547272      3.966569      3.496300
  N      -6.041665      4.069675      2.418926
  H      -5.926733      3.000453      1.799920
89
Coordinates from ORCA-job orca E -6140.475336397873
  N      -3.514604      2.159632      4.075054
  Mo     -4.652876      3.444499      5.049784
  N      -6.091291      2.539693      6.033096
  C      -5.817811      2.066613      7.394152
  C      -4.380283      1.562783      7.441623
  N      -3.510309      2.575906      6.785264
  C      -2.285472      1.982924      6.187716
  C      -2.629657      1.302485      4.869443
  C      -3.210548      3.697413      7.717120
  C      -2.872002      4.944587      6.923652
  N      -3.779367      5.059836      5.783731
  H      -1.689113      1.108079      4.322801
  H      -3.090743      0.311909      5.055511
  H      -1.586486      2.806716      5.989864
  H      -1.806261      1.284490      6.894600
  H      -2.963999      5.830739      7.577290
  H      -1.818831      4.916110      6.589022
  H      -4.120762      3.878022      8.304055
  H      -2.402373      3.415956      8.412507
  H      -6.502689      1.250524      7.672934
  H      -5.980826      2.878112      8.123474
  H      -4.306242      0.632801      6.862097
  H      -4.032588      1.363941      8.469914
  C      -3.466377      1.868453      2.644144
  C      -4.167524      0.568684      2.207640
  C      -5.545329      0.624509      1.599584
  N      -6.128551      1.784348      1.295183
  C      -7.332423      1.796440      0.641670
  N      -7.992690      0.749891      0.228844
  C      -7.454710     -0.471405      0.536098
  C      -8.148497     -1.635383      0.137159
  C      -7.642947     -2.879113      0.454498
  C      -6.430985     -3.001115      1.171236
  C      -5.725398     -1.881032      1.559123
  C      -6.219186     -0.588372      1.252545
  C      -3.717533      6.359249      5.114256
  C      -2.376561      6.691970      4.423200
  C      -2.123702      5.811775      3.228498
  N      -2.984214      5.960092      2.226116
  C      -2.821756      5.175360      1.131559
  N      -1.894970      4.256849      0.932767
  C      -1.000723      4.080373      1.949553
  C       0.008482      3.094808      1.807655
  C       0.926654      2.891267      2.816083
  C       0.881443      3.671054      3.996088
  C      -0.089204      4.638018      4.159194
  C      -1.063974      4.856826      3.152128
  C      -7.261600      1.950617      5.383737
  C      -7.041869      0.474944      5.037761
  C      -8.161575     -0.155929      4.252417
  N      -9.018273      0.649800      3.640831
  C     -10.021130      0.072220      2.923020
  N     -10.262699     -1.213632      2.775035
  C      -9.393072     -2.065723      3.397348
  C      -9.590631     -3.462734      3.276024
  C      -8.709901     -4.340645      3.873876
  C      -7.599957     -3.860194      4.607259
  C      -7.388617     -2.503265      4.746916
  C      -8.282368     -1.577586      4.153588
  H      -3.856705      2.722061      2.080772
  H      -2.406783      1.780193      2.352058
  H      -4.184013     -0.139876      3.050378
  H      -3.540428      0.074202      1.444800
  H      -7.748853      2.789971      0.456636
  H      -9.087669     -1.514148     -0.402380
  H      -8.185236     -3.778095      0.159028
  H      -6.054891     -3.992561      1.425358
  H      -4.792615     -1.996629      2.109779
  H      -4.511168      6.401965      4.357887
  H      -3.928639      7.143645      5.864685
  H      -2.455186      7.728176      4.061282
  H      -1.551000      6.666419      5.143982
  H      -3.543369      5.337406      0.324606
  H       0.036870      2.525737      0.877216
  H       1.707752      2.138156      2.699182
  H       1.631480      3.516053      4.773286
  H      -0.089278      5.252067      5.059842
  H      -8.138194      2.053336      6.048590
  H      -7.498279      2.512509      4.473979
  H      -6.114101      0.396583      4.443314
  H      -6.864294     -0.109658      5.953282
  H     -10.695016      0.768846      2.415937
  H     -10.449489     -3.811538      2.701086
  H      -8.865866     -5.416470      3.780085
  H      -6.910343     -4.570295      5.066094
  H      -6.524366     -2.144215      5.306322
  N      -5.541960      3.964761      3.492280
  N      -6.035874      4.068514      2.414645
  H      -5.920168      3.002113      1.796457
89
Coordinates from ORCA-job orca E -6140.475347226630
  N      -3.521278      2.158079      4.072827
  Mo     -4.655205      3.448705      5.045884
  N      -6.101023      2.550203      6.023114
  C      -5.833520      2.080914      7.386966
  C      -4.399862      1.566618      7.439049
  N      -3.521348      2.573113      6.783594
  C      -2.299281      1.971912      6.188489
  C      -2.645988      1.293877      4.869666
  C      -3.215050      3.692649      7.716208
  C      -2.869342      4.937823      6.922963
  N      -3.777851      5.059322      5.784421
  H      -1.705866      1.089820      4.325770
  H      -3.116169      0.307618      5.056304
  H      -1.594973      2.791577      5.992143
  H      -1.825758      1.270378      6.896123
  H      -2.954231      5.824698      7.576564
  H      -1.817029      4.902543      6.586397
  H      -4.124335      3.878579      8.302910
  H      -2.408856      3.405765      8.411613
  H      -6.525249      1.271755      7.668791
  H      -5.990800      2.897617      8.111555
  H      -4.330402      0.635059      6.861526
  H      -4.056552      1.367458      8.468767
  C      -3.464399      1.874459      2.640838
  C      -4.160936      0.576619      2.192457
  C      -5.544194      0.630446      1.596666
  N      -6.129789      1.789681      1.294181
  C      -7.338291      1.800805      0.649429
  N      -8.000855      0.753650      0.241839
  C      -7.459918     -0.467055      0.545931
  C      -8.154940     -1.631406      0.150418
  C      -7.646440     -2.874897      0.464017
  C      -6.430189     -2.996075      1.173478
  C      -5.723316     -1.875538      1.557860
  C      -6.219818     -0.583067      1.254905
  C      -3.709677      6.359410      5.116980
  C      -2.366877      6.688817      4.428175
  C      -2.115662      5.811371      3.231144
  N      -2.973608      5.966592      2.227452
  C      -2.811250      5.185703      1.130166
  N      -1.887505      4.264346      0.929884
  C      -0.996254      4.080572      1.947922
  C       0.009786      3.091814      1.804688
  C       0.924353      2.880601      2.814714
  C       0.879073      3.655784      3.997744
  C      -0.088029      4.625980      4.162054
  C      -1.059592      4.852546      3.153436
  C      -7.268351      1.958710      5.370703
  C      -7.046419      0.481412      5.033609
  C      -8.165314     -0.157188      4.253629
  N      -9.032653      0.641697      3.648494
  C     -10.034974      0.055887      2.936283
  N     -10.266385     -1.231868      2.789016
  C      -9.385697     -2.077046      3.405366
  C      -9.572794     -3.475605      3.285621
  C      -8.681612     -4.346247      3.878727
  C      -7.571253     -3.856655      4.605294
  C      -7.369779     -2.497977      4.742938
  C      -8.274497     -1.579893      4.154704
  H      -3.851652      2.730537      2.079056
  H      -2.402801      1.787945      2.355082
  H      -4.162108     -0.145507      3.023461
  H      -3.537310      0.099796      1.415292
  H      -7.756857      2.793951      0.467140
  H      -9.097354     -1.510828     -0.383573
  H      -8.189554     -3.774164      0.170960
  H      -6.051475     -3.987268      1.424673
  H      -4.786891     -1.991067      2.102257
  H      -4.502268      6.406346      4.359737
  H      -3.918744      7.143099      5.868746
  H      -2.442680      7.726152      4.068952
  H      -1.541935      6.658656      5.149536
  H      -3.530326      5.353626      0.322151
  H       0.038017      2.526012      0.872231
  H       1.702683      2.124773      2.696895
  H       1.626442      3.494611      4.776254
  H      -0.088399      5.236583      5.065012
  H      -8.147984      2.065219      6.030846
  H      -7.500522      2.516366      4.457144
  H      -6.119038      0.400234      4.438826
  H      -6.868090     -0.097592      5.952621
  H     -10.718111      0.747083      2.434111
  H     -10.432275     -3.831515      2.715978
  H      -8.829879     -5.423327      3.786834
  H      -6.873386     -4.560998      5.060517
  H      -6.505124     -2.132095      5.297335
  N      -5.539387      3.974467      3.486626
  N      -6.032019      4.078730      2.408539
  H      -5.918140      3.012123      1.792165
89
Coordinates from ORCA-job orca E -6140.475356647573
  N      -3.514637      2.158019      4.071498
  Mo     -4.652424      3.445058      5.044691
  N      -6.096777      2.542663      6.020058
  C      -5.829389      2.072804      7.383699
  C      -4.394594      1.561726      7.436464
  N      -3.517934      2.570730      6.782413
  C      -2.293734      1.973278      6.187644
  C      -2.637733      1.295393      4.868082
  C      -3.215160      3.690365      7.716201
  C      -2.871712      4.937061      6.924406
  N      -3.779376      5.057362      5.785065
  H      -1.696795      1.094057      4.324588
  H      -3.105464      0.307804      5.053982
  H      -1.591706      2.795199      5.992618
  H      -1.818771      1.272442      6.895000
  H      -2.959709      5.823030      7.578865
  H      -1.818954      4.905174      6.588904
  H      -4.125443      3.873614      8.302208
  H      -2.408979      3.404875      8.412198
  H      -6.519569      1.261965      7.664467
  H      -5.988899      2.888607      8.108874
  H      -4.322479      0.630796      6.858234
  H      -4.051636      1.362560      8.466277
  C      -3.456949      1.875466      2.639258
  C      -4.152166      0.577620      2.189485
  C      -5.536836      0.629817      1.597018
  N      -6.123311      1.788333      1.293330
  C      -7.332857      1.797824      0.650589
  N      -7.995857      0.749715      0.246043
  C      -7.454141     -0.470230      0.551721
  C      -8.149789     -1.635538      0.160184
  C      -7.640264     -2.878324      0.474963
  C      -6.422249     -2.997825      1.181601
  C      -5.715010     -1.876333      1.562570
  C      -6.212672     -0.584546      1.258609
  C      -3.713486      6.357945      5.118378
  C      -2.371424      6.690018      4.429416
  C      -2.118803      5.814781      3.231038
  N      -2.977228      5.969293      2.227650
  C      -2.812915      5.190344      1.129261
  N      -1.886709      4.271761      0.927539
  C      -0.995056      4.088540      1.945352
  C       0.013160      3.102153      1.800897
  C       0.927551      2.891018      2.811076
  C       0.879859      3.663905      3.995556
  C      -0.089253      4.631884      4.160950
  C      -1.060530      4.858482      3.152034
  C      -7.265951      1.953692      5.368624
  C      -7.048102      0.475985      5.030614
  C      -8.170038     -0.158675      4.251702
  N      -9.033479      0.643717      3.645585
  C     -10.038249      0.061903      2.933488
  N     -10.275519     -1.224851      2.787126
  C      -9.399198     -2.073582      3.404825
  C      -9.592760     -3.471331      3.286052
  C      -8.706097     -4.345668      3.880486
  C      -7.594094     -3.860698      4.607642
  C      -7.386207     -2.502870      4.744138
  C      -8.285978     -1.580966      4.154264
  H      -3.843977      2.731971      2.077907
  H      -2.395128      1.789336      2.354137
  H      -4.149299     -0.146428      3.018773
  H      -3.529553      0.104078      1.409433
  H      -7.751955      2.790501      0.466948
  H      -9.093487     -1.516169     -0.371814
  H      -8.183924     -3.778259      0.185046
  H      -6.042480     -3.988435      1.433516
  H      -4.777216     -1.990696      2.104853
  H      -4.506469      6.404018      4.361506
  H      -3.923297      7.141112      5.870518
  H      -2.449379      7.727713      4.071583
  H      -1.545897      6.660272      5.150060
  H      -3.532282      5.357727      0.321389
  H       0.043121      2.538206      0.867365
  H       1.707551      2.137056      2.692360
  H       1.626919      3.502651      4.774345
  H      -0.091560      5.240481      5.065279
  H      -8.144808      2.061794      6.029528
  H      -7.497624      2.512264      4.455473
  H      -6.121936      0.392425      4.434288
  H      -6.870121     -0.103786      5.949162
  H     -10.718074      0.755884      2.430655
  H     -10.453431     -3.823657      2.715976
  H      -8.859272     -5.422114      3.789182
  H      -6.899868     -4.567896      5.064008
  H      -6.520285     -2.140612      5.298938
  N      -5.536768      3.970868      3.485355
  N      -6.028096      4.076132      2.406752
  H      -5.912109      3.010638      1.789780
89
Coordinates from ORCA-job orca E -6140.475380162890
  N      -3.500589      2.160305      4.066745
  Mo     -4.647729      3.437425      5.041293
  N      -6.089017      2.524480      6.010347
  C      -5.822578      2.050478      7.372650
  C      -4.384811      1.547968      7.427152
  N      -3.512785      2.564131      6.778473
  C      -2.283156      1.976549      6.184427
  C      -2.619889      1.300585      4.862068
  C      -3.219451      3.682958      7.716520
  C      -2.881003      4.934621      6.930509
  N      -3.784324      5.052952      5.787739
  H      -1.676567      1.107245      4.319837
  H      -3.081267      0.309361      5.044673
  H      -1.586405      2.803968      5.993997
  H      -1.805189      1.276442      6.890488
  H      -2.978978      5.817032      7.588526
  H      -1.826456      4.912829      6.599842
  H      -4.132501      3.858707      8.300534
  H      -2.413761      3.400170      8.414208
  H      -6.508733      1.234547      7.648381
  H      -5.988630      2.862075      8.101259
  H      -4.305856      0.619749      6.845315
  H      -4.042981      1.346881      8.456900
  C      -3.438238      1.883975      2.633193
  C      -4.128606      0.586626      2.176703
  C      -5.518640      0.632132      1.597399
  N      -6.109235      1.787674      1.289935
  C      -7.322391      1.790829      0.654024
  N      -7.986183      0.739045      0.260297
  C      -7.441161     -0.477959      0.571824
  C      -8.137976     -1.646961      0.193802
  C      -7.624308     -2.886936      0.513054
  C      -6.400579     -2.999850      1.210599
  C      -5.692624     -1.874647      1.579306
  C      -6.194782     -0.585579      1.271228
  C      -3.721039      6.354386      5.122526
  C      -2.379176      6.689758      4.434415
  C      -2.123915      5.820333      3.232229
  N      -2.983513      5.974136      2.229850
  C      -2.815014      5.200628      1.128201
  N      -1.882480      4.289545      0.921737
  C      -0.989708      4.106678      1.938713
  C       0.024086      3.126798      1.789620
  C       0.938463      2.914907      2.799601
  C       0.884583      3.680221      3.988862
  C      -0.089845      4.642077      4.158479
  C      -1.060415      4.870060      3.149166
  C      -7.261724      1.941612      5.359858
  C      -7.051734      0.463745      5.017999
  C      -8.182051     -0.162826      4.244404
  N      -9.037756      0.647152      3.637093
  C     -10.049118      0.073960      2.927178
  N     -10.299679     -1.210496      2.783624
  C      -9.432670     -2.066765      3.403984
  C      -9.641187     -3.462606      3.288682
  C      -8.763988     -4.344877      3.885367
  C      -7.647368     -3.870041      4.612193
  C      -7.424786     -2.514209      4.745026
  C      -8.313881     -1.584019      4.151850
  H      -3.823400      2.742876      2.073841
  H      -2.375384      1.799230      2.351281
  H      -4.110178     -0.145111      2.998882
  H      -3.510126      0.126474      1.385175
  H      -7.743692      2.781669      0.465539
  H      -9.085915     -1.532308     -0.331666
  H      -8.169153     -3.789504      0.233898
  H      -6.016779     -3.988156      1.465479
  H      -4.750293     -1.984347      2.114631
  H      -4.514353      6.399940      4.366074
  H      -3.931589      7.137165      5.874987
  H      -2.459165      7.728810      4.080578
  H      -1.552838      6.658789      5.153852
  H      -3.536130      5.366361      0.321568
  H       0.058449      2.569127      0.852485
  H       1.723038      2.166272      2.677376
  H       1.631065      3.517939      4.767992
  H      -0.096707      5.244287      5.067094
  H      -8.139646      2.051893      6.021670
  H      -7.491886      2.503404      4.448255
  H      -6.129928      0.376859      4.415487
  H      -6.870512     -0.117827      5.934665
  H     -10.722064      0.773879      2.423357
  H     -10.505387     -3.807137      2.719182
  H      -8.928322     -5.419845      3.795946
  H      -6.960961     -4.583391      5.070811
  H      -6.555565     -2.159549      5.299568
  N      -5.530902      3.964871      3.481376
  N      -6.017032      4.073618      2.400882
  H      -5.898540      3.008160      1.783633
89
Coordinates from ORCA-job orca E -6140.475389139102
  N      -3.496148      2.160714      4.065266
  Mo     -4.646674      3.434558      5.039705
  N      -6.087549      2.518423      6.006024
  C      -5.822137      2.042193      7.367721
  C      -4.383519      1.542371      7.423141
  N      -3.512602      2.561139      6.777277
  C      -2.281039      1.976566      6.184353
  C      -2.614594      1.301668      4.860579
  C      -3.223097      3.679295      7.717194
  C      -2.885765      4.932945      6.933847
  N      -3.786428      5.050818      5.789095
  H      -1.670039      1.111453      4.319426
  H      -3.073889      0.309181      5.041219
  H      -1.585394      2.805382      5.996134
  H      -1.803050      1.276312      6.890271
  H      -2.988046      5.813757      7.593406
  H      -1.830251      4.914841      6.606090
  H      -4.137480      3.852226      8.299955
  H      -2.418018      3.397179      8.415869
  H      -6.507045      1.224256      7.640594
  H      -5.990986      2.851648      8.098153
  H      -4.302391      0.615487      6.839408
  H      -4.042486      1.339774      8.452834
  C      -3.429249      1.888481      2.631044
  C      -4.115925      0.591576      2.169067
  C      -5.509248      0.633395      1.598137
  N      -6.102323      1.787537      1.290016
  C      -7.317575      1.787722      0.658013
  N      -7.981556      0.734221      0.269348
  C      -7.434601     -0.481441      0.582962
  C      -8.132064     -1.652106      0.211480
  C      -7.616190     -2.890768      0.532386
  C      -6.389298     -3.000629      1.224757
  C      -5.680787     -1.873734      1.587242
  C      -6.185440     -0.585952      1.277953
  C      -3.723474      6.352501      5.124449
  C      -2.381485      6.688668      4.436653
  C      -2.125679      5.821645      3.232790
  N      -2.985263      5.976837      2.230694
  C      -2.815853      5.206098      1.127195
  N      -1.881415      4.297543      0.918195
  C      -0.988499      4.113351      1.934825
  C       0.027272      3.136010      1.782688
  C       0.941795      2.922615      2.792209
  C       0.885842      3.683756      3.984069
  C      -0.090537      4.643130      4.156581
  C      -1.061022      4.872735      3.147640
  C      -7.261096      1.938170      5.354932
  C      -7.053662      0.460473      5.011038
  C      -8.188299     -0.163607      4.241640
  N      -9.042396      0.648850      3.635224
  C     -10.056656      0.078657      2.927152
  N     -10.311878     -1.205020      2.784833
  C      -9.447159     -2.063741      3.404923
  C      -9.660550     -3.458917      3.290737
  C      -8.785151     -4.343773      3.886220
  C      -7.665706     -3.872325      4.610961
  C      -7.438419     -2.517198      4.742714
  C      -8.325392     -1.584313      4.150559
  H      -3.813321      2.748588      2.072721
  H      -2.365455      1.805290      2.352175
  H      -4.087589     -0.146006      2.985599
  H      -3.499939      0.141514      1.369670
  H      -7.740395      2.777635      0.468050
  H      -9.082266     -1.539610     -0.310368
  H      -8.161647     -3.794556      0.258482
  H      -6.003506     -3.987843      1.480834
  H      -4.736073     -1.981308      2.118768
  H      -4.516804      6.398326      4.368062
  H      -3.934240      7.135080      5.877058
  H      -2.461296      7.728363      4.084595
  H      -1.555094      6.656829      5.155968
  H      -3.537710      5.372176      0.321316
  H       0.063157      2.582006      0.843446
  H       1.728124      2.176210      2.667648
  H       1.632386      3.520333      4.762911
  H      -0.098452      5.242239      5.067225
  H      -8.139107      2.048950      6.016568
  H      -7.490250      2.501631      4.444100
  H      -6.134509      0.373212      4.404512
  H      -6.868702     -0.121699      5.926558
  H     -10.727804      0.780609      2.423804
  H     -10.526863     -3.800911      2.722919
  H      -8.953040     -5.418222      3.797173
  H      -6.980753     -4.587730      5.068547
  H      -6.566931     -2.164755      5.295042
  N      -5.527834      3.963053      3.479064
  N      -6.011407      4.073747      2.397616
  H      -5.890299      3.008630      1.778849
89
Coordinates from ORCA-job orca E -6140.475398381031
  N      -3.490380      2.160985      4.062086
  Mo     -4.645367      3.429136      5.037815
  N      -6.083842      2.507911      6.002889
  C      -5.817626      2.026431      7.362556
  C      -4.377065      1.532524      7.416904
  N      -3.509655      2.556294      6.774437
  C      -2.275715      1.976938      6.181666
  C      -2.605948      1.303362      4.856265
  C      -3.225457      3.673469      7.716731
  C      -2.891111      4.930130      6.936719
  N      -3.788981      5.046736      5.789864
  H      -1.660160      1.118766      4.315396
  H      -3.061415      0.308702      5.033866
  H      -1.582200      2.807974      5.995392
  H      -1.796397      1.276879      6.886897
  H      -2.999355      5.808713      7.598305
  H      -1.834449      4.917264      6.612310
  H      -4.141286      3.841885      8.298540
  H      -2.420344      3.392803      8.415995
  H      -6.498713      1.203490      7.629974
  H      -5.991859      2.830684      8.097578
  H      -4.292733      0.608002      6.829827
  H      -4.035344      1.327477      8.445873
  C      -3.418967      1.894232      2.627034
  C      -4.100750      0.597159      2.159450
  C      -5.497339      0.634096      1.596920
  N      -6.092243      1.786325      1.285067
  C      -7.309258      1.782234      0.656181
  N      -7.973468      0.726222      0.275005
  C      -7.425594     -0.487489      0.594955
  C      -8.124224     -1.660530      0.233451
  C      -7.607392     -2.897154      0.560867
  C      -6.378213     -3.002511      1.249786
  C      -5.668502     -1.873226      1.602457
  C      -6.174238     -0.587491      1.286716
  C      -3.728894      6.349535      5.127307
  C      -2.387242      6.689303      4.440530
  C      -2.129411      5.825379      3.234938
  N      -2.989032      5.981295      2.233109
  C      -2.817692      5.214054      1.127427
  N      -1.879769      4.309897      0.915242
  C      -0.986378      4.125325      1.931438
  C       0.033380      3.152877      1.775300
  C       0.948443      2.938823      2.784257
  C       0.888581      3.694160      3.979584
  C      -0.091834      4.648784      4.156008
  C      -1.062309      4.879287      3.147419
  C      -7.258575      1.931312      5.350991
  C      -7.053555      0.454481      5.001419
  C      -8.192500     -0.164614      4.234272
  N      -9.041042      0.652476      3.626023
  C     -10.059263      0.088157      2.919305
  N     -10.324317     -1.193991      2.780627
  C      -9.466326     -2.057330      3.403455
  C      -9.690705     -3.451117      3.293667
  C      -8.821647     -4.340936      3.890933
  C      -7.697921     -3.876123      4.613435
  C      -7.460201     -2.522480      4.741268
  C      -8.340374     -1.584349      4.147094
  H      -3.803538      2.755259      2.070378
  H      -2.354269      1.814394      2.350617
  H      -4.062094     -0.145969      2.970265
  H      -3.487058      0.158092      1.352038
  H      -7.733091      2.770821      0.461622
  H      -9.076156     -1.551266     -0.285952
  H      -8.153747     -3.802718      0.294703
  H      -5.991519     -3.988021      1.511001
  H      -4.721986     -1.977535      2.131397
  H      -4.522183      6.395224      4.370875
  H      -3.941545      7.130524      5.880999
  H      -2.467534      7.729689      4.090629
  H      -1.561359      6.657470      5.160511
  H      -3.540686      5.379705      0.322513
  H       0.071654      2.603074      0.833713
  H       1.737961      2.196293      2.656770
  H       1.635267      3.530145      4.758170
  H      -0.102514      5.243462      5.069524
  H      -8.136196      2.041026      6.013398
  H      -7.487699      2.498166      4.442289
  H      -6.136750      0.368505      4.391067
  H      -6.864982     -0.130712      5.914235
  H     -10.724914      0.793746      2.413785
  H     -10.560122     -3.788089      2.727598
  H      -8.997950     -5.414263      3.804926
  H      -7.018084     -4.595533      5.072357
  H      -6.585572     -2.174748      5.291550
  N      -5.525279      3.957988      3.476886
  N      -6.005821      4.071124      2.394324
  H      -5.883251      3.005933      1.774792
89
Coordinates from ORCA-job orca E -6140.475406386039
  N      -3.492418      2.159187      4.062391
  Mo     -4.646491      3.428178      5.037724
  N      -6.084829      2.508436      6.004894
  C      -5.818180      2.025910      7.364019
  C      -4.377791      1.531649      7.417207
  N      -3.510321      2.555380      6.774599
  C      -2.277002      1.975038      6.181969
  C      -2.607841      1.301382      4.856678
  C      -3.225766      3.672452      7.716567
  C      -2.890875      4.928701      6.935953
  N      -3.788839      5.045404      5.789193
  H      -1.662138      1.117008      4.315628
  H      -3.063618      0.306888      5.033741
  H      -1.582526      2.805146      5.995113
  H      -1.798317      1.274807      6.887473
  H      -2.998314      5.807662      7.597107
  H      -1.834248      4.914400      6.611536
  H      -4.141579      3.841311      8.298263
  H      -2.420622      3.391762      8.415799
  H      -6.498941      1.202303      7.630410
  H      -5.992881      2.829157      8.100003
  H      -4.294491      0.607352      6.829686
  H      -4.035330      1.325984      8.445827
  C      -3.418051      1.894503      2.627185
  C      -4.097122      0.597288      2.156143
  C      -5.494981      0.633142      1.596588
  N      -6.090224      1.785183      1.284738
  C      -7.307576      1.780538      0.656355
  N      -7.971387      0.724180      0.275598
  C      -7.423380     -0.489308      0.596254
  C      -8.122133     -1.662587      0.235803
  C      -7.605507     -2.898962      0.564573
  C      -6.376329     -3.003795      1.253578
  C      -5.666278     -1.874271      1.604793
  C      -6.171894     -0.588796      1.287887
  C      -3.729644      6.348580      5.127455
  C      -2.388323      6.689695      4.440845
  C      -2.130088      5.825931      3.235291
  N      -2.989053      5.983120      2.233081
  C      -2.817515      5.216854      1.126735
  N      -1.879726      4.312657      0.914120
  C      -0.986864      4.127030      1.930587
  C       0.033275      3.155083      1.773609
  C       0.948049      2.940053      2.782663
  C       0.887613      3.693988      3.978773
  C      -0.093173      4.648122      4.156081
  C      -1.063398      4.879405      3.147540
  C      -7.258952      1.932013      5.351821
  C      -7.052823      0.455742      4.999901
  C      -8.192129     -0.163197      4.233258
  N      -9.040564      0.654180      3.625188
  C     -10.059604      0.090569      2.919413
  N     -10.326175     -1.191486      2.781994
  C      -9.468225     -2.055173      3.404284
  C      -9.693835     -3.448854      3.295429
  C      -8.824431     -4.339074      3.891548
  C      -7.698986     -3.874894      4.611823
  C      -7.460173     -2.521410      4.738966
  C      -8.340898     -1.582808      4.146278
  H      -3.803548      2.755306      2.070937
  H      -2.352769      1.817146      2.352458
  H      -4.054815     -0.149202      2.963513
  H      -3.483921      0.164122      1.345126
  H      -7.732050      2.768873      0.461943
  H      -9.074065     -1.553738     -0.283689
  H      -8.151954     -3.804760      0.299380
  H      -5.989934     -3.989102      1.515985
  H      -4.719778     -1.978240      2.133817
  H      -4.522845      6.394249      4.370879
  H      -3.943217      7.128649      5.881808
  H      -2.468513      7.730066      4.091045
  H      -1.562995      6.658303      5.161617
  H      -3.540184      5.383533      0.321743
  H       0.071881      2.606230      0.831485
  H       1.737813      2.197889      2.654581
  H       1.634194      3.529417      4.757349
  H      -0.104157      5.241980      5.070115
  H      -8.136632      2.040135      6.014434
  H      -7.488625      2.499990      4.443991
  H      -6.136400      0.371878      4.388588
  H      -6.862311     -0.130683      5.911522
  H     -10.724621      0.796428      2.413428
  H     -10.564340     -3.785436      2.730804
  H      -9.001757     -5.412281      3.806241
  H      -7.018730     -4.594752      5.069414
  H      -6.584068     -2.173900      5.287005
  N      -5.525263      3.956973      3.476785
  N      -6.005699      4.070480      2.394057
  H      -5.882020      3.006126      1.773484
89
Coordinates from ORCA-job orca E -6140.475415958675
  N      -3.497649      2.156917      4.062837
  Mo     -4.649392      3.427772      5.038118
  N      -6.087440      2.510916      6.009459
  C      -5.819678      2.027206      7.367771
  C      -4.379761      1.531673      7.418674
  N      -3.512018      2.554620      6.774893
  C      -2.280192      1.972196      6.181706
  C      -2.613154      1.298429      4.856963
  C      -3.225587      3.671708      7.715983
  C      -2.889327      4.926588      6.933579
  N      -3.788565      5.043845      5.787798
  H      -1.668150      1.113166      4.315048
  H      -3.070212      0.304626      5.033964
  H      -1.584209      2.800758      5.993489
  H      -1.802104      1.271621      6.887279
  H      -2.993642      5.806852      7.593393
  H      -1.833184      4.908623      6.607811
  H      -4.141017      3.842322      8.297762
  H      -2.420343      3.390640      8.414948
  H      -6.500226      1.203123      7.633508
  H      -5.994078      2.829625      8.104638
  H      -4.298601      0.607275      6.831110
  H      -4.035735      1.325662      8.446743
  C      -3.419806      1.894991      2.627461
  C      -4.095328      0.597366      2.152308
  C      -5.494378      0.632365      1.595117
  N      -6.089735      1.784370      1.283312
  C      -7.307291      1.779521      0.655208
  N      -7.970421      0.722966      0.273910
  C      -7.422520     -0.490409      0.595088
  C      -8.121167     -1.663716      0.234562
  C      -7.605284     -2.900003      0.564961
  C      -6.376930     -3.004651      1.255442
  C      -5.666619     -1.875108      1.606079
  C      -6.171453     -0.589730      1.287601
  C      -3.729843      6.347492      5.127044
  C      -2.388525      6.689715      4.441353
  C      -2.129840      5.825888      3.236005
  N      -2.988029      5.984512      2.233252
  C      -2.815924      5.219518      1.126121
  N      -1.878447      4.315057      0.913176
  C      -0.986458      4.128045      1.930124
  C       0.033868      3.156301      1.772721
  C       0.947848      2.939918      2.782246
  C       0.886629      3.692346      3.979173
  C      -0.094244      4.646326      4.157004
  C      -1.063770      4.878792      3.148103
  C      -7.260316      1.933726      5.354790
  C      -7.051033      0.458473      4.999377
  C      -8.189117     -0.161362      4.231883
  N      -9.037326      0.655455      3.622679
  C     -10.056577      0.091646      2.917737
  N     -10.324296     -1.190543      2.782803
  C      -9.466088     -2.053757      3.405227
  C      -9.692284     -3.447520      3.298191
  C      -8.822454     -4.337370      3.894155
  C      -7.695796     -3.872868      4.612359
  C      -7.456500     -2.519362      4.737984
  C      -8.337934     -1.581034      4.145808
  H      -3.807234      2.755131      2.071641
  H      -2.353874      1.821396      2.354424
  H      -4.049595     -0.153152      2.955524
  H      -3.482254      0.171053      1.337532
  H      -7.732463      2.767694      0.461558
  H      -9.072567     -1.555130     -0.285947
  H      -8.151627     -3.805931      0.299955
  H      -5.991376     -3.989893      1.519324
  H      -4.720627     -1.979073      2.136008
  H      -4.522491      6.393213      4.369817
  H      -3.944866      7.126328      5.882234
  H      -2.468135      7.730057      4.091557
  H      -1.564243      6.658317      5.163475
  H      -3.537740      5.387874      0.320705
  H       0.072881      2.608140      0.830205
  H       1.737552      2.197745      2.653870
  H       1.632650      3.526859      4.758094
  H      -0.106176      5.239271      5.071606
  H      -8.137823      2.038554      6.018189
  H      -7.491759      2.502999      4.448274
  H      -6.134441      0.378893      4.387600
  H      -6.858533     -0.129976      5.909241
  H     -10.721203      0.796993      2.410495
  H     -10.563433     -3.784460      2.734778
  H      -9.000485     -5.410582      3.810479
  H      -7.015065     -4.592620      5.069405
  H      -6.579301     -2.171522      5.284068
  N      -5.527456      3.956543      3.477601
  N      -6.008304      4.069812      2.394864
  H      -5.883548      3.006360      1.773389
89
Coordinates from ORCA-job orca E -6140.475420006372
  N      -3.500938      2.156255      4.063014
  Mo     -4.651562      3.427888      5.038510
  N      -6.089117      2.512334      6.012509
  C      -5.820555      2.027758      7.370195
  C      -4.380789      1.531756      7.419628
  N      -3.513233      2.554408      6.775033
  C      -2.282095      1.971278      6.181278
  C      -2.616242      1.297545      4.856840
  C      -3.225970      3.671626      7.715688
  C      -2.888954      4.925661      6.932254
  N      -3.788945      5.043215      5.787027
  H      -1.671734      1.111816      4.314253
  H      -3.073817      0.304040      5.034047
  H      -1.585633      2.799305      5.992474
  H      -1.803970      1.270512      6.886642
  H      -2.991369      5.806804      7.591150
  H      -1.833148      4.905673      6.605558
  H      -4.141342      3.843198      8.297277
  H      -2.420822      3.390477      8.414715
  H      -6.500876      1.203348      7.635608
  H      -5.994625      2.829734      8.107579
  H      -4.300604      0.607282      6.832086
  H      -4.035680      1.325734      8.447352
  C      -3.421323      1.895946      2.627502
  C      -4.094960      0.598054      2.150340
  C      -5.494747      0.632440      1.594627
  N      -6.090584      1.784305      1.283125
  C      -7.308228      1.779228      0.655219
  N      -7.970685      0.722493      0.273231
  C      -7.422455     -0.490728      0.594281
  C      -8.120628     -1.664145      0.233219
  C      -7.604778     -2.900341      0.564073
  C      -6.376883     -3.004739      1.255376
  C      -5.666823     -1.875096      1.606198
  C      -6.171614     -0.589793      1.287331
  C      -3.729835      6.346914      5.126323
  C      -2.388117      6.688960      4.441470
  C      -2.129238      5.825011      3.236218
  N      -2.987164      5.984066      2.233218
  C      -2.814448      5.219825      1.125682
  N      -1.877067      4.315248      0.912699
  C      -0.985562      4.127664      1.929923
  C       0.034747      3.155843      1.772664
  C       0.948207      2.938911      2.782530
  C       0.886665      3.690934      3.979679
  C      -0.094087      4.645031      4.157400
  C      -1.063259      4.877931      3.148203
  C      -7.261451      1.934702      5.357151
  C      -7.050310      0.460144      4.999413
  C      -8.187714     -0.160341      4.231551
  N      -9.035904      0.656011      3.621645
  C     -10.055317      0.091825      2.917343
  N     -10.323207     -1.190482      2.783543
  C      -9.464567     -2.053266      3.405886
  C      -9.690516     -3.447132      3.299403
  C      -8.820251     -4.336624      3.895224
  C      -7.693338     -3.871696      4.612758
  C      -7.454306     -2.518110      4.737945
  C      -8.336266     -1.580103      4.146008
  H      -3.809804      2.755706      2.071840
  H      -2.355088      1.824339      2.355219
  H      -4.047158     -0.154621      2.951298
  H      -3.482147      0.175346      1.333462
  H      -7.734066      2.767279      0.462463
  H      -9.071734     -1.555847     -0.287878
  H      -8.150764     -3.806415      0.298834
  H      -5.991457     -3.989923      1.519668
  H      -4.721073     -1.979005      2.136573
  H      -4.521888      6.392554      4.368450
  H      -3.945642      7.125462      5.881580
  H      -2.467160      7.729303      4.091613
  H      -1.564437      6.657172      5.164278
  H      -3.535848      5.388826      0.320023
  H       0.074054      2.607907      0.830023
  H       1.737779      2.196589      2.654216
  H       1.632323      3.525087      4.758871
  H      -0.106587      5.237823      5.072090
  H      -8.138584      2.037308      6.021419
  H      -7.494352      2.504803      4.451553
  H      -6.133865      0.383430      4.386979
  H      -6.856419     -0.129600      5.908099
  H     -10.719951      0.796697      2.409430
  H     -10.561746     -3.784431      2.736326
  H      -8.998202     -5.409890      3.812060
  H      -7.012217     -4.591241      5.069543
  H      -6.576805     -2.170018      5.283396
  N      -5.529414      3.956860      3.478318
  N      -6.010135      4.069832      2.395438
  H      -5.884765      3.006545      1.773500
89
Coordinates from ORCA-job orca E -6140.475425618477
  N      -3.504277      2.155981      4.063601
  Mo     -4.654315      3.427778      5.039608
  N      -6.090469      2.512904      6.017232
  C      -5.820503      2.026872      7.373890
  C      -4.380479      1.531466      7.421341
  N      -3.514093      2.554370      6.775560
  C      -2.283339      1.971448      6.180879
  C      -2.618653      1.297602      4.856840
  C      -3.226653      3.672102      7.715635
  C      -2.889340      4.925231      6.930977
  N      -3.790188      5.042537      5.786309
  H      -1.674781      1.111753      4.313236
  H      -3.076120      0.304148      5.034652
  H      -1.587066      2.799492      5.991523
  H      -1.804463      1.270715      6.885774
  H      -2.990025      5.807452      7.588651
  H      -1.833921      4.903610      6.603176
  H      -4.142240      3.844346      8.296690
  H      -2.421690      3.391413      8.415035
  H      -6.499919      1.201486      7.638665
  H      -5.994559      2.827937      8.112254
  H      -4.300699      0.606937      6.833847
  H      -4.033721      1.325773      8.448592
  C      -3.423137      1.897302      2.627921
  C      -4.094969      0.598979      2.149302
  C      -5.495223      0.632791      1.594453
  N      -6.091483      1.784534      1.283130
  C      -7.308883      1.779424      0.654871
  N      -7.970491      0.722587      0.271632
  C      -7.422188     -0.490528      0.592794
  C      -8.119819     -1.663984      0.230834
  C      -7.604338     -2.900150      0.562425
  C      -6.377284     -3.004426      1.255207
  C      -5.667528     -1.874767      1.606585
  C      -6.171925     -0.589465      1.287037
  C      -3.730622      6.345974      5.124873
  C      -2.388287      6.687344      4.440989
  C      -2.129230      5.823083      3.235895
  N      -2.987366      5.981726      2.232903
  C      -2.813814      5.218116      1.125096
  N      -1.876023      4.313940      0.912024
  C      -0.984685      4.126459      1.929347
  C       0.035884      3.154811      1.772440
  C       0.949069      2.938002      2.782538
  C       0.887223      3.690068      3.979665
  C      -0.093642      4.644035      4.157057
  C      -1.062780      4.876698      3.147644
  C      -7.262566      1.935007      5.361519
  C      -7.049127      0.461593      4.999837
  C      -8.185732     -0.159189      4.231112
  N      -9.032869      0.657012      3.619471
  C     -10.052186      0.092791      2.915120
  N     -10.320751     -1.189509      2.782450
  C      -9.462604     -2.052174      3.405550
  C      -9.688695     -3.446048      3.299283
  C      -8.818928     -4.335554      3.895766
  C      -7.692360     -3.870638      4.613846
  C      -7.453217     -2.517061      4.738908
  C      -8.334682     -1.578997      4.146313
  H      -3.812723      2.756593      2.072282
  H      -2.356685      1.827630      2.356108
  H      -4.045535     -0.155389      2.948456
  H      -3.482350      0.179126      1.330774
  H      -7.735167      2.767438      0.462972
  H      -9.070352     -1.555892     -0.291346
  H      -8.149953     -3.806312      0.296727
  H      -5.992272     -3.989589      1.520182
  H      -4.722334     -1.978776      2.137939
  H      -4.521850      6.390933      4.366104
  H      -3.947472      7.124696      5.879634
  H      -2.466780      7.727645      4.090890
  H      -1.565120      6.655070      5.164314
  H      -3.534998      5.387230      0.319262
  H       0.075550      2.606875      0.829804
  H       1.738706      2.195722      2.654382
  H       1.632706      3.524371      4.759054
  H      -0.106830      5.237097      5.071556
  H      -8.138797      2.034278      6.027527
  H      -7.497924      2.506579      4.457514
  H      -6.133134      0.389137      4.386163
  H      -6.853284     -0.130330      5.906601
  H     -10.716391      0.797396      2.406258
  H     -10.559566     -3.783325      2.735635
  H      -8.997066     -5.408806      3.812803
  H      -7.011589     -4.590239      5.071061
  H      -6.575842     -2.169210      5.284718
  N      -5.532475      3.956716      3.479850
  N      -6.012719      4.069055      2.396690
  H      -5.886163      3.005560      1.774088
89
Coordinates from ORCA-job orca E -6140.475430111221
  N      -3.505914      2.156078      4.063554
  Mo     -4.656031      3.427579      5.040101
  N      -6.091078      2.512694      6.019928
  C      -5.820339      2.025081      7.375682
  C      -4.379993      1.530394      7.421915
  N      -3.514645      2.553719      6.775510
  C      -2.283871      1.971481      6.180194
  C      -2.619779      1.297808      4.856260
  C      -3.227571      3.671802      7.715443
  C      -2.890127      4.924536      6.930413
  N      -3.791425      5.041796      5.786013
  H      -1.676329      1.111695      4.312042
  H      -3.077154      0.304377      5.034628
  H      -1.588005      2.799875      5.990938
  H      -1.804341      1.270647      6.884551
  H      -2.989902      5.807302      7.587487
  H      -1.834948      4.902354      6.601921
  H      -4.143569      3.844199      8.295811
  H      -2.422996      3.391442      8.415398
  H      -6.499120      1.198912      7.639591
  H      -5.994403      2.825237      8.115034
  H      -4.300068      0.605911      6.834360
  H      -4.032189      1.324935      8.448861
  C      -3.423575      1.899112      2.627636
  C      -4.094118      0.600645      2.147667
  C      -5.494984      0.633518      1.594295
  N      -6.092063      1.784898      1.283022
  C      -7.309482      1.779278      0.654961
  N      -7.970377      0.722104      0.271332
  C      -7.421473     -0.490691      0.592562
  C      -8.118382     -1.664488      0.230314
  C      -7.602504     -2.900415      0.562177
  C      -6.375728     -3.004078      1.255534
  C      -5.666566     -1.874098      1.607061
  C      -6.171325     -0.588997      1.287205
  C      -3.731476      6.345095      5.123997
  C      -2.388564      6.686041      4.441056
  C      -2.129188      5.822050      3.235739
  N      -2.987527      5.980337      2.232793
  C      -2.813115      5.217482      1.124641
  N      -1.874914      4.313725      0.911448
  C      -0.983752      4.126230      1.928862
  C       0.036858      3.154548      1.772279
  C       0.949798      2.937765      2.782543
  C       0.887870      3.689991      3.979621
  C      -0.092973      4.643948      4.156710
  C      -1.062146      4.876460      3.147152
  C      -7.263185      1.934953      5.363941
  C      -7.048601      0.462299      4.999511
  C      -8.185225     -0.158443      4.230779
  N      -9.031537      0.657809      3.618037
  C     -10.051239      0.093662      2.914139
  N     -10.320428     -1.188569      2.782235
  C      -9.462797     -2.051297      3.405937
  C      -9.689375     -3.445116      3.300002
  C      -8.820222     -4.334801      3.897111
  C      -7.693811     -3.870062      4.615544
  C      -7.454207     -2.516522      4.740297
  C      -8.334979     -1.578269      4.147003
  H      -3.813532      2.758423      2.072242
  H      -2.356952      1.830525      2.356264
  H      -4.042461     -0.155264      2.945171
  H      -3.482075      0.183312      1.327361
  H      -7.736360      2.767118      0.463532
  H      -9.068756     -1.556935     -0.292259
  H      -8.147572     -3.806858      0.296326
  H      -5.990432     -3.989052      1.520814
  H      -4.721516     -1.977817      2.138735
  H      -4.521971      6.389430      4.364453
  H      -3.949209      7.124034      5.878265
  H      -2.466921      7.726422      4.091106
  H      -1.565615      6.653219      5.164515
  H      -3.534138      5.386596      0.318665
  H       0.076762      2.606705      0.829593
  H       1.739386      2.195407      2.654530
  H       1.633246      3.524362      4.759122
  H      -0.106576      5.237330      5.070996
  H      -8.138779      2.032090      6.031128
  H      -7.500001      2.507636      4.461032
  H      -6.133380      0.392564      4.384360
  H      -6.851163     -0.131012      5.904956
  H     -10.715060      0.798159      2.404626
  H     -10.560128     -3.782189      2.736047
  H      -8.998751     -5.408012      3.814406
  H      -7.013494     -4.589779      5.073251
  H      -6.576840     -2.169114      5.286393
  N      -5.534119      3.957041      3.480481
  N      -6.013238      4.069073      2.396825
  H      -5.886428      3.005042      1.774095
89
Coordinates from ORCA-job orca E -6140.475435329942
  N      -3.505846      2.156313      4.064641
  Mo     -4.657055      3.426857      5.041678
  N      -6.089946      2.510905      6.024074
  C      -5.817899      2.021951      7.378919
  C      -4.376637      1.529554      7.423984
  N      -3.513499      2.553895      6.776402
  C      -2.282185      1.973420      6.180383
  C      -2.618421      1.299150      4.856869
  C      -3.227847      3.673035      7.715695
  C      -2.891449      4.925529      6.930122
  N      -3.793193      5.041443      5.785871
  H      -1.675401      1.113053      4.311922
  H      -3.074831      0.305457      5.036584
  H      -1.587610      2.802834      5.990970
  H      -1.801204      1.273131      6.884300
  H      -2.991497      5.808735      7.586563
  H      -1.836432      4.904231      6.601054
  H      -4.144487      3.844902      8.295229
  H      -2.423551      3.393941      8.416465
  H      -6.495251      1.194381      7.642009
  H      -5.992586      2.820925      8.119447
  H      -4.295549      0.604946      6.836755
  H      -4.027517      1.325114      8.450680
  C      -3.424084      1.899149      2.628705
  C      -4.095035      0.600410      2.149945
  C      -5.495180      0.633572      1.595019
  N      -6.091777      1.785160      1.283409
  C      -7.308296      1.780270      0.653766
  N      -7.968924      0.723426      0.268721
  C      -7.420921     -0.489618      0.590571
  C      -8.117837     -1.663100      0.227297
  C      -7.603098     -2.899283      0.559934
  C      -6.377426     -3.003526      1.255185
  C      -5.668214     -1.873896      1.607700
  C      -6.171790     -0.588530      1.287002
  C      -3.733737      6.344110      5.122197
  C      -2.390688      6.684789      4.439381
  C      -2.130938      5.820366      3.234339
  N      -2.990050      5.976766      2.231741
  C      -2.815089      5.213458      1.124022
  N      -1.876016      4.310491      0.911162
  C      -0.984355      4.124584      1.928387
  C       0.036763      3.153294      1.772520
  C       0.950248      2.938222      2.782595
  C       0.888525      3.691903      3.978835
  C      -0.092772      4.645434      4.155202
  C      -1.062721      4.876143      3.145855
  C      -7.262593      1.933532      5.368568
  C      -7.046985      0.461890      5.000362
  C      -8.183615     -0.157908      4.230775
  N      -9.027710      0.659176      3.616077
  C     -10.047018      0.096002      2.910782
  N     -10.317342     -1.185922      2.778559
  C      -9.461747     -2.049514      3.403886
  C      -9.689332     -3.443080      3.297016
  C      -8.822203     -4.333759      3.895605
  C      -7.696959     -3.870166      4.616586
  C      -7.456423     -2.516855      4.742268
  C      -8.334977     -1.577609      4.147319
  H      -3.813897      2.758366      2.073041
  H      -2.357634      1.830138      2.356789
  H      -4.044527     -0.154396      2.948600
  H      -3.482782      0.181121      1.330774
  H      -7.734496      2.768375      0.462204
  H      -9.067419     -1.555123     -0.296633
  H      -8.148268     -3.805454      0.293367
  H      -5.993107     -3.988659      1.521278
  H      -4.724126     -1.978151      2.140985
  H      -4.523795      6.386718      4.362145
  H      -3.952399      7.123875      5.875307
  H      -2.469707      7.724976      4.088920
  H      -1.567454      6.652399      5.162436
  H      -3.536409      5.381320      0.318051
  H       0.076661      2.604637      0.830304
  H       1.740168      2.196135      2.655048
  H       1.634434      3.527653      4.758115
  H      -0.106397      5.240214      5.068579
  H      -8.137187      2.028179      6.037432
  H      -7.501300      2.507763      4.467147
  H      -6.132671      0.395313      4.383576
  H      -6.847964     -0.133368      5.904083
  H     -10.709583      0.801128      2.400517
  H     -10.559243     -3.779130      2.731153
  H      -9.001384     -5.406791      3.812035
  H      -7.018188     -4.590558      5.075526
  H      -6.579772     -2.170760      5.290311
  N      -5.536064      3.955845      3.482100
  N      -6.014131      4.067169      2.398019
  H      -5.886338      3.002395      1.774686
89
Coordinates from ORCA-job orca E -6140.475439957721
  N      -3.504855      2.156426      4.064053
  Mo     -4.656904      3.426547      5.041515
  N      -6.089201      2.509947      6.024018
  C      -5.817540      2.019734      7.378377
  C      -4.375959      1.527868      7.423634
  N      -3.513376      2.552408      6.775802
  C      -2.281715      1.972651      6.179693
  C      -2.618269      1.298642      4.856126
  C      -3.228511      3.671903      7.715147
  C      -2.892159      4.924580      6.930207
  N      -3.794056      5.040633      5.786019
  H      -1.675492      1.110860      4.311324
  H      -3.075435      0.305403      5.036882
  H      -1.587487      2.802493      5.990915
  H      -1.800527      1.272108      6.883222
  H      -2.992354      5.807470      7.587079
  H      -1.837239      4.904228      6.600826
  H      -4.145703      3.843514      8.293901
  H      -2.424903      3.392894      8.416744
  H      -6.494998      1.191994      7.640496
  H      -5.992085      2.817980      8.119762
  H      -4.294168      0.603129      6.836675
  H      -4.026824      1.323929      8.450409
  C      -3.422748      1.900529      2.627880
  C      -4.093759      0.602278      2.148169
  C      -5.494259      0.634596      1.594577
  N      -6.091505      1.785824      1.282700
  C      -7.308260      1.780358      0.653646
  N      -7.968803      0.723170      0.269342
  C      -7.420103     -0.489556      0.591273
  C      -8.116526     -1.663467      0.228399
  C      -7.600949     -2.899372      0.560678
  C      -6.374958     -3.002933      1.255514
  C      -5.666318     -1.872886      1.607807
  C      -6.170662     -0.587784      1.287229
  C      -3.734862      6.343342      5.122028
  C      -2.391691      6.684613      4.439713
  C      -2.131209      5.821127      3.234114
  N      -2.990190      5.977346      2.231406
  C      -2.814817      5.214241      1.123651
  N      -1.875743      4.311186      0.911113
  C      -0.984298      4.125322      1.928510
  C       0.036315      3.153409      1.773170
  C       0.949740      2.938511      2.783277
  C       0.888558      3.693071      3.979060
  C      -0.092387      4.646973      4.154973
  C      -1.062565      4.877350      3.145683
  C      -7.261955      1.933130      5.368056
  C      -7.046582      0.461635      4.999115
  C      -8.184451     -0.157844      4.230953
  N      -9.028266      0.659445      3.616213
  C     -10.048122      0.096357      2.911486
  N     -10.318692     -1.185462      2.779314
  C      -9.463614     -2.049258      3.405180
  C      -9.691849     -3.442705      3.298624
  C      -8.825356     -4.333655      3.897795
  C      -7.700173     -3.870267      4.618967
  C      -7.458987     -2.516996      4.744245
  C      -8.336756     -1.577529      4.148596
  H      -3.811415      2.760671      2.072819
  H      -2.356233      1.830705      2.356341
  H      -4.041254     -0.153285      2.946027
  H      -3.482267      0.183892      1.327885
  H      -7.734701      2.768287      0.461704
  H      -9.066412     -1.555981     -0.295091
  H      -8.145717     -3.805799      0.294183
  H      -5.989904     -3.987811      1.521488
  H      -4.722033     -1.976672      2.140838
  H      -4.524575      6.385202      4.361624
  H      -3.954183      7.123254      5.874771
  H      -2.471617      7.724948      4.089812
  H      -1.568102      6.652223      5.162285
  H      -3.535776      5.382093      0.317363
  H       0.075938      2.604490      0.831099
  H       1.739305      2.195981      2.656100
  H       1.634655      3.529035      4.758199
  H      -0.105595      5.242598      5.067811
  H      -8.136732      2.027553      6.036695
  H      -7.500059      2.507891      4.466803
  H      -6.133612      0.395458      4.380370
  H      -6.846159     -0.133545      5.902541
  H     -10.710601      0.801630      2.401343
  H     -10.561873     -3.778417      2.732731
  H      -9.004942     -5.406636      3.814453
  H      -7.021859     -4.590699      5.078521
  H      -6.582263     -2.171532      5.292540
  N      -5.535137      3.956797      3.481325
  N      -6.010952      4.068240      2.396392
  H      -5.884549      3.002403      1.773550
89
Coordinates from ORCA-job orca E -6140.475444666075
  N      -3.502979      2.156235      4.064914
  Mo     -4.656067      3.425925      5.042358
  N      -6.087235      2.508358      6.025219
  C      -5.815302      2.018201      7.379501
  C      -4.373133      1.527826      7.424938
  N      -3.511673      2.552847      6.776431
  C      -2.279593      1.973932      6.180332
  C      -2.616216      1.299054      4.857193
  C      -3.227829      3.673103      7.715151
  C      -2.892582      4.925942      6.930097
  N      -3.794582      5.040820      5.785880
  H      -1.673518      1.110633      4.312448
  H      -3.073167      0.305885      5.039080
  H      -1.586068      2.804250      5.991112
  H      -1.797778      1.274018      6.884060
  H      -2.993995      5.808515      7.587227
  H      -1.837628      4.907106      6.600763
  H      -4.145247      3.844145      8.293740
  H      -2.424206      3.394980      8.417108
  H      -6.492140      1.189862      7.641324
  H      -5.990562      2.815895      8.121350
  H      -4.290386      0.602807      6.838549
  H      -4.023792      1.324857      8.451823
  C      -3.422539      1.898573      2.628956
  C      -4.095343      0.600422      2.151410
  C      -5.494559      0.634028      1.595024
  N      -6.090316      1.785924      1.282685
  C      -7.306280      1.781803      0.652032
  N      -7.967510      0.725325      0.267044
  C      -7.420462     -0.488028      0.589611
  C      -8.117859     -1.661227      0.226287
  C      -7.603933     -2.897662      0.559121
  C      -6.378656     -3.002529      1.255067
  C      -5.669139     -1.873205      1.607903
  C      -6.171822     -0.587616      1.286713
  C      -3.736525      6.343183      5.121136
  C      -2.393958      6.685291      4.438035
  C      -2.132962      5.821259      3.232958
  N      -2.991941      5.976387      2.230163
  C      -2.816975      5.211826      1.123348
  N      -1.877942      4.308505      0.911770
  C      -0.986108      4.124120      1.929132
  C       0.034790      3.152413      1.774364
  C       0.948959      2.939236      2.784179
  C       0.888147      3.695337      3.978994
  C      -0.093175      4.648977      4.154355
  C      -1.064034      4.877630      3.145404
  C      -7.260223      1.931800      5.369414
  C      -7.044967      0.460456      4.999787
  C      -8.183096     -0.158246      4.231291
  N      -9.025796      0.659753      3.615984
  C     -10.045127      0.097499      2.909850
  N     -10.316141     -1.184102      2.776661
  C      -9.462427     -2.048630      3.403426
  C      -9.691301     -3.441880      3.295924
  C      -8.826056     -4.333583      3.895807
  C      -7.701630     -3.871084      4.618709
  C      -7.459883     -2.517990      4.744962
  C      -8.336289     -1.577779      4.148501
  H      -3.810352      2.758877      2.073597
  H      -2.356321      1.826997      2.356618
  H      -4.045932     -0.152689      2.951871
  H      -3.483123      0.177822      1.333865
  H      -7.731354      2.770183      0.459372
  H      -9.067192     -1.552665     -0.297985
  H      -8.149545     -3.803470      0.292226
  H      -5.994952     -3.987769      1.521619
  H      -4.725596     -1.977829      2.142089
  H      -4.526600      6.383991      4.361061
  H      -3.956041      7.123423      5.873476
  H      -2.475012      7.725345      4.087567
  H      -1.569930      6.654265      5.160200
  H      -3.538089      5.378633      0.316990
  H       0.074063      2.602421      0.832909
  H       1.738831      2.196944      2.657511
  H       1.634941      3.532699      4.757762
  H      -0.105779      5.245866      5.066378
  H      -8.135150      2.026163      6.037837
  H      -7.497948      2.507004      4.468335
  H      -6.132366      0.394480      4.380554
  H      -6.844080     -0.134914      5.902960
  H     -10.706479      0.803488      2.399263
  H     -10.560814     -3.776808      2.728787
  H      -9.005972     -5.406433      3.811589
  H      -7.024249     -4.591986      5.078904
  H      -6.583631     -2.173378      5.294530
  N      -5.534750      3.955457      3.481652
  N      -6.009793      4.066629      2.396482
  H      -5.883213      3.000287      1.773177
89
Coordinates from ORCA-job orca E -6140.475452411250
  N      -3.500211      2.155483      4.065385
  Mo     -4.654304      3.425364      5.042855
  N      -6.084618      2.506933      6.024977
  C      -5.813280      2.017493      7.379565
  C      -4.370723      1.527978      7.426044
  N      -3.509762      2.552895      6.776672
  C      -2.277587      1.973864      6.180882
  C      -2.614983      1.297834      4.858432
  C      -3.226436      3.673925      7.714490
  C      -2.892148      4.927012      6.929446
  N      -3.794442      5.041012      5.785372
  H      -1.672437      1.106499      4.314358
  H      -3.073408      0.305625      5.042167
  H      -1.584225      2.804081      5.990683
  H      -1.795733      1.274596      6.885221
  H      -2.994988      5.808684      7.587595
  H      -1.837214      4.909907      6.600126
  H      -4.143822      3.844744      8.293236
  H      -2.422801      3.396394      8.416724
  H      -6.490274      1.189182      7.641169
  H      -5.989189      2.814777      8.121736
  H      -4.287262      0.602274      6.840873
  H      -4.021774      1.326497      8.453337
  C      -3.421734      1.895735      2.629708
  C      -4.097140      0.598321      2.153813
  C      -5.494886      0.633612      1.594412
  N      -6.088597      1.786412      1.281377
  C      -7.304065      1.783996      0.649499
  N      -7.966661      0.728404      0.264693
  C      -7.421638     -0.485767      0.587926
  C      -8.120711     -1.658041      0.224834
  C      -7.608665     -2.895137      0.558086
  C      -6.383671     -3.001696      1.254332
  C      -5.672653     -1.873295      1.607098
  C      -6.173476     -0.587120      1.285455
  C      -3.738238      6.343301      5.120642
  C      -2.396970      6.687571      4.435997
  C      -2.134817      5.822891      3.231747
  N      -2.992726      5.977550      2.228138
  C      -2.818935      5.210167      1.123060
  N      -1.880923      4.305288      0.913625
  C      -0.989047      4.122572      1.931346
  C       0.031730      3.150546      1.777673
  C       0.946713      2.939502      2.787265
  C       0.886522      3.697982      3.980521
  C      -0.094986      4.651707      4.154917
  C      -1.066446      4.878223      3.146306
  C      -7.257411      1.930784      5.368425
  C      -7.042716      0.459166      4.999832
  C      -8.181726     -0.159182      4.232312
  N      -9.024364      0.659267      3.617569
  C     -10.043092      0.097545      2.910204
  N     -10.314084     -1.183933      2.775920
  C      -9.461017     -2.048932      3.402986
  C      -9.690059     -3.442055      3.294594
  C      -8.825128     -4.334200      3.894332
  C      -7.700986     -3.872186      4.617942
  C      -7.459117     -2.519176      4.745113
  C      -8.335150     -1.578560      4.148764
  H      -3.807635      2.756900      2.074436
  H      -2.355793      1.821300      2.356855
  H      -4.051167     -0.152229      2.957023
  H      -3.484024      0.171156      1.339360
  H      -7.727359      2.772902      0.455637
  H      -9.069780     -1.548026     -0.299613
  H      -8.155698     -3.800101      0.291206
  H      -6.001481     -3.987381      1.521362
  H      -4.729579     -1.978850      2.141922
  H      -4.529329      6.383392      4.361570
  H      -3.957541      7.123368      5.873235
  H      -2.480066      7.727209      4.084896
  H      -1.572359      6.659106      5.157752
  H      -3.539496      5.376356      0.316098
  H       0.070338      2.598845      0.837197
  H       1.736791      2.197258      2.661608
  H       1.634215      3.537158      4.758817
  H      -0.106282      5.250408      5.065772
  H      -8.133691      2.026549      6.034814
  H      -7.492613      2.506061      4.466720
  H      -6.130915      0.391991      4.379668
  H      -6.840584     -0.135081      5.903481
  H     -10.703847      0.804274      2.399919
  H     -10.559459     -3.776491      2.727004
  H      -9.004973     -5.406987      3.809306
  H      -7.023744     -4.593220      5.078144
  H      -6.582931     -2.175073      5.295084
  N      -5.532533      3.954742      3.480736
  N      -6.005381      4.066070      2.394895
  H      -5.879774      2.998494      1.771094
89
Coordinates from ORCA-job orca E -6140.474299970198
  N      -3.456521      2.060362      4.135805
  Mo     -4.627677      3.358113      5.068615
  N      -6.068417      2.467493      6.058272
  C      -5.823580      1.999352      7.423535
  C      -4.381217      1.508068      7.503289
  N      -3.510968      2.512188      6.834073
  C      -2.272001      1.915587      6.270053
  C      -2.599087      1.210068      4.961247
  C      -3.237218      3.659903      7.742529
  C      -2.891055      4.894571      6.935588
  N      -3.784844      4.986313      5.782049
  H      -1.652474      0.983233      4.438138
  H      -3.074429      0.230386      5.172267
  H      -1.572901      2.739294      6.071753
  H      -1.803206      1.229999      6.996459
  H      -3.002886      5.785259      7.580284
  H      -1.833471      4.878402      6.613881
  H      -4.163216      3.847951      8.302283
  H      -2.447633      3.398370      8.466918
  H      -6.511704      1.181351      7.687585
  H      -6.003081      2.807662      8.153613
  H      -4.290581      0.565175      6.947074
  H      -4.046135      1.336982      8.540493
  C      -3.352341      1.776644      2.707024
  C      -4.051555      0.491809      2.234711
  C      -5.430109      0.556503      1.639308
  N      -5.991092      1.722569      1.311191
  C      -7.192275      1.748737      0.652792
  N      -7.872028      0.708023      0.258212
  C      -7.359207     -0.518215      0.590746
  C      -8.074359     -1.676129      0.212801
  C      -7.592498     -2.924050      0.550897
  C      -6.382861     -3.056926      1.269639
  C      -5.658590     -1.943215      1.641035
  C      -6.128303     -0.647036      1.312878
  C      -3.764902      6.295081      5.123367
  C      -2.436333      6.699838      4.447580
  C      -2.158044      5.914527      3.194669
  N      -3.010124      6.122914      2.196583
  C      -2.810468      5.442886      1.040594
  N      -1.855502      4.570486      0.778514
  C      -0.967114      4.334949      1.788661
  C       0.070588      3.392981      1.575925
  C       0.984255      3.130341      2.574462
  C       0.904712      3.806030      3.815914
  C      -0.095529      4.727164      4.048874
  C      -1.066512      5.003317      3.052126
  C      -7.244460      1.905876      5.392035
  C      -7.056433      0.428856      5.026355
  C      -8.201720     -0.153149      4.238445
  N      -8.989148      0.694438      3.590754
  C     -10.003602      0.168298      2.849802
  N     -10.316940     -1.102099      2.707586
  C      -9.522036     -1.996659      3.369519
  C      -9.797038     -3.380064      3.249090
  C      -8.989892     -4.303519      3.881324
  C      -7.883078     -3.881551      4.654016
  C      -7.597502     -2.537970      4.793509
  C      -8.410200     -1.565815      4.159480
  H      -3.695379      2.643885      2.134963
  H      -2.283541      1.664279      2.459112
  H      -4.046274     -0.241806      3.055486
  H      -3.431600      0.024528      1.447722
  H      -7.587154      2.747354      0.449102
  H      -9.011881     -1.545430     -0.327451
  H      -8.153273     -3.816885      0.271927
  H      -6.023806     -4.050250      1.540184
  H      -4.728865     -2.067068      2.195104
  H      -4.558877      6.322610      4.367137
  H      -4.003691      7.059994      5.885266
  H      -2.550955      7.753647      4.150514
  H      -1.602443      6.658246      5.157695
  H      -3.533210      5.642859      0.243339
  H       0.119913      2.905033      0.601516
  H       1.786233      2.409746      2.405620
  H       1.651319      3.604345      4.585575
  H      -0.123994      5.259961      4.999558
  H      -8.130557      2.020894      6.041948
  H      -7.451709      2.483166      4.484678
  H      -6.141619      0.340548      4.413670
  H      -6.878948     -0.167106      5.933232
  H     -10.619326      0.898850      2.317531
  H     -10.654317     -3.681318      2.645655
  H      -9.202200     -5.369251      3.784026
  H      -7.252731     -4.624886      5.144434
  H      -6.735212     -2.229902      5.385358
  N      -5.475781      3.859006      3.470974
  N      -5.904518      3.943439      2.367653
  H      -5.824245      2.813974      1.770056
89
Coordinates from ORCA-job orca E -6140.473447307179
  N      -3.461987      2.048924      4.138939
  Mo     -4.622587      3.353019      5.081611
  N      -6.061134      2.465978      6.082306
  C      -5.814867      1.984688      7.441671
  C      -4.372271      1.487370      7.511428
  N      -3.503468      2.489957      6.839107
  C      -2.265900      1.897826      6.266569
  C      -2.599907      1.197941      4.957518
  C      -3.223957      3.634751      7.748822
  C      -2.871275      4.868877      6.946930
  N      -3.769574      4.969949      5.798004
  H      -1.657788      0.971402      4.426666
  H      -3.073052      0.217631      5.171988
  H      -1.568266      2.723766      6.070970
  H      -1.792830      1.207888      6.986364
  H      -2.976225      5.756625      7.596800
  H      -1.814508      4.851059      6.619087
  H      -4.149455      3.826282      8.308546
  H      -2.436575      3.367585      8.473915
  H      -6.505515      1.167608      7.700519
  H      -5.986226      2.785837      8.182505
  H      -4.287177      0.546141      6.950917
  H      -4.031001      1.311183      8.545638
  C      -3.378124      1.741424      2.712976
  C      -4.079624      0.441351      2.278422
  C      -5.445499      0.487082      1.654685
  N      -6.009974      1.643003      1.296157
  C      -7.194191      1.654088      0.607918
  N      -7.859980      0.603431      0.217343
  C      -7.347232     -0.613847      0.582680
  C      -8.045805     -1.782810      0.208117
  C      -7.561145     -3.022149      0.572331
  C      -6.367228     -3.135792      1.320707
  C      -5.660841     -2.011032      1.693199
  C      -6.131223     -0.723542      1.332569
  C      -3.755942      6.287906      5.155485
  C      -2.429312      6.708115      4.488782
  C      -2.153491      5.969529      3.207792
  N      -3.000871      6.216905      2.214919
  C      -2.786167      5.594814      1.029869
  N      -1.826131      4.738062      0.736351
  C      -0.945401      4.458120      1.742225
  C       0.098899      3.531702      1.495817
  C       1.000534      3.222394      2.491880
  C       0.902596      3.834298      3.765371
  C      -0.101175      4.742832      4.029544
  C      -1.057574      5.069539      3.033255
  C      -7.240319      1.910050      5.414575
  C      -7.054138      0.435004      5.029213
  C      -8.197758     -0.130989      4.225435
  N      -8.949206      0.729077      3.551789
  C      -9.955078      0.219414      2.787723
  N     -10.291777     -1.044655      2.644199
  C      -9.533804     -1.952098      3.331977
  C      -9.837834     -3.329586      3.213262
  C      -9.073361     -4.266746      3.877593
  C      -7.982714     -3.863531      4.682518
  C      -7.669592     -2.525913      4.820532
  C      -8.437288     -1.539342      4.153122
  H      -3.722608      2.598991      2.128610
  H      -2.312757      1.620225      2.453428
  H      -4.095922     -0.257508      3.129070
  H      -3.452221     -0.067950      1.524729
  H      -7.588344      2.648251      0.382058
  H      -8.972383     -1.666995     -0.354035
  H      -8.107359     -3.923069      0.290617
  H      -6.005837     -4.122331      1.611954
  H      -4.743737     -2.118875      2.271303
  H      -4.551609      6.324838      4.401954
  H      -3.992169      7.042161      5.928387
  H      -2.545102      7.771584      4.226038
  H      -1.590103      6.641380      5.190166
  H      -3.509286      5.818368      0.239243
  H       0.160109      3.089110      0.500662
  H       1.803582      2.509032      2.299184
  H       1.637055      3.592004      4.534837
  H      -0.147688      5.224777      5.006421
  H      -8.124741      2.014748      6.068465
  H      -7.450251      2.496639      4.513641
  H      -6.135877      0.352927      4.420580
  H      -6.885239     -0.171526      5.929349
  H     -10.546239      0.959939      2.241722
  H     -10.684361     -3.614441      2.587118
  H      -9.308741     -5.328166      3.784210
  H      -7.388275     -4.616336      5.202510
  H      -6.824334     -2.235831      5.445600
  N      -5.468670      3.889963      3.490484
  N      -5.890890      4.000674      2.389538
  H      -5.757872      2.873433      1.712811
89
Coordinates from ORCA-job orca E -6140.476408475181
  N      -3.495369      2.177153      4.050742
  Mo     -4.649215      3.430031      5.054467
  N      -6.051669      2.499969      6.068041
  C      -5.754676      2.010203      7.415730
  C      -4.303596      1.539318      7.439145
  N      -3.467340      2.570196      6.766749
  C      -2.239087      2.007263      6.145610
  C      -2.591114      1.326328      4.828645
  C      -3.177242      3.700775      7.691192
  C      -2.865739      4.951874      6.892605
  N      -3.795504      5.057014      5.769507
  H      -1.655814      1.145570      4.268799
  H      -3.037048      0.329274      5.018944
  H      -1.561925      2.848529      5.940932
  H      -1.732598      1.315047      6.839962
  H      -2.956791      5.833878      7.552108
  H      -1.817832      4.935941      6.537155
  H      -4.084033      3.869338      8.287248
  H      -2.358575      3.434952      8.381429
  H      -6.418453      1.173802      7.685250
  H      -5.928010      2.800179      8.167271
  H      -4.219892      0.611374      6.857128
  H      -3.932585      1.347739      8.460578
  C      -3.438603      1.925204      2.611436
  C      -4.128742      0.629546      2.140141
  C      -5.524273      0.654308      1.567972
  N      -6.144566      1.793231      1.242104
  C      -7.359455      1.766788      0.605623
  N      -8.002119      0.697288      0.231606
  C      -7.431200     -0.503139      0.560996
  C      -8.104334     -1.691956      0.204477
  C      -7.563455     -2.916189      0.539868
  C      -6.337211     -2.994013      1.238272
  C      -5.653442     -1.848510      1.589828
  C      -6.181747     -0.575436      1.259303
  C      -3.766303      6.357223      5.105207
  C      -2.423908      6.693265      4.428653
  C      -2.164439      5.831843      3.223504
  N      -2.981673      6.021142      2.192730
  C      -2.783551      5.264633      1.084048
  N      -1.866239      4.333124      0.898551
  C      -1.020337      4.108840      1.947866
  C      -0.017199      3.113710      1.821225
  C       0.837789      2.853907      2.871735
  C       0.734171      3.583046      4.080463
  C      -0.223491      4.565819      4.225202
  C      -1.126354      4.851592      3.169019
  C      -7.228821      1.916790      5.422999
  C      -7.004706      0.452059      5.017211
  C      -8.144685     -0.153551      4.238080
  N      -8.963160      0.677819      3.606415
  C      -9.981410      0.131373      2.885804
  N     -10.268300     -1.145879      2.744277
  C      -9.436785     -2.024233      3.381986
  C      -9.683680     -3.413641      3.263843
  C      -8.847005     -4.320108      3.881397
  C      -7.738117     -3.875647      4.638686
  C      -7.479727     -2.526841      4.776213
  C      -8.322590     -1.570441      4.155991
  H      -3.823956      2.795100      2.068739
  H      -2.376005      1.844434      2.320269
  H      -4.104052     -0.103869      2.959915
  H      -3.511988      0.170430      1.346840
  H      -7.798185      2.748011      0.408453
  H      -9.056751     -1.604455     -0.318104
  H      -8.089186     -3.833761      0.273629
  H      -5.930922     -3.970225      1.504554
  H      -4.709012     -1.928400      2.126907
  H      -4.559002      6.386619      4.347422
  H      -3.983556      7.143746      5.851960
  H      -2.487925      7.737695      4.085719
  H      -1.602278      6.642317      5.153140
  H      -3.470286      5.455720      0.253539
  H       0.053983      2.575426      0.874578
  H       1.607630      2.086910      2.772010
  H       1.429123      3.374735      4.895352
  H      -0.272942      5.134866      5.153774
  H      -8.098377      1.986514      6.101274
  H      -7.483348      2.505991      4.535550
  H      -6.091982      0.401789      4.395513
  H      -6.795833     -0.160406      5.906191
  H     -10.629634      0.847829      2.372636
  H     -10.544765     -3.732436      2.675068
  H      -9.040253     -5.390319      3.789745
  H      -7.088207     -4.606600      5.122115
  H      -6.622591     -2.198948      5.365888
  N      -5.552870      3.952436      3.497254
  N      -6.019921      4.051020      2.415959
  H      -5.888317      2.883531      1.769945
89
Coordinates from ORCA-job orca E -6140.475065579566
  N      -3.462431      2.155583      4.069544
  Mo     -4.646076      3.408429      5.042011
  N      -6.057833      2.488514      6.052733
  C      -5.773397      2.011276      7.406580
  C      -4.321163      1.548763      7.453516
  N      -3.484344      2.577996      6.780944
  C      -2.243566      2.014752      6.186625
  C      -2.568894      1.316443      4.871879
  C      -3.217079      3.723790      7.693887
  C      -2.899786      4.966012      6.881959
  N      -3.810513      5.050720      5.740829
  H      -1.621863      1.134363      4.332122
  H      -3.013623      0.318943      5.064840
  H      -1.569164      2.857428      5.981026
  H      -1.743738      1.335005      6.897899
  H      -3.005869      5.855850      7.528776
  H      -1.847099      4.948249      6.546081
  H      -4.134540      3.895699      8.272304
  H      -2.408616      3.473908      8.402127
  H      -6.437787      1.174757      7.676078
  H      -5.958607      2.806058      8.150113
  H      -4.224224      0.614756      6.883512
  H      -3.961844      1.372215      8.481925
  C      -3.379705      1.899624      2.636284
  C      -4.064747      0.603757      2.166801
  C      -5.472259      0.640075      1.638208
  N      -6.111244      1.792152      1.408500
  C      -7.348085      1.802122      0.813237
  N      -7.995396      0.752780      0.396002
  C      -7.409614     -0.463635      0.632847
  C      -8.094634     -1.632707      0.236903
  C      -7.541951     -2.872223      0.487829
  C      -6.289651     -2.985290      1.133081
  C      -5.592649     -1.859251      1.519236
  C      -6.135853     -0.571745      1.281364
  C      -3.786489      6.340969      5.057494
  C      -2.447055      6.680160      4.371995
  C      -2.176920      5.791206      3.189034
  N      -3.022575      5.913970      2.171256
  C      -2.832109      5.112532      1.093016
  N      -1.891088      4.202323      0.921980
  C      -1.009696      4.051716      1.954969
  C       0.022893      3.085661      1.840855
  C       0.916883      2.901457      2.874692
  C       0.823915      3.680209      4.052363
  C      -0.163782      4.634725      4.184498
  C      -1.108929      4.841116      3.147204
  C      -7.239535      1.912527      5.410273
  C      -7.027766      0.450062      4.991852
  C      -8.192545     -0.149366      4.245031
  N      -9.045274      0.687802      3.667658
  C     -10.097764      0.148455      2.992187
  N     -10.380828     -1.127819      2.835976
  C      -9.511983     -2.011976      3.412447
  C      -9.746803     -3.400329      3.263879
  C      -8.870514     -4.312897      3.813162
  C      -7.735545     -3.875819      4.535374
  C      -7.488186     -2.528221      4.702329
  C      -8.367600     -1.565448      4.145775
  H      -3.768149      2.768383      2.091342
  H      -2.314930      1.825477      2.351589
  H      -4.024105     -0.135358      2.981193
  H      -3.463061      0.152659      1.357347
  H      -7.795097      2.791742      0.694487
  H      -9.066936     -1.519274     -0.242153
  H      -8.079299     -3.775675      0.197295
  H      -5.873727     -3.973666      1.330783
  H      -4.628577     -1.965017      2.014783
  H      -4.577453      6.348217      4.297083
  H      -4.015435      7.140416      5.787354
  H      -2.526494      7.714186      4.002900
  H      -1.623758      6.660579      5.096011
  H      -3.538168      5.254674      0.269015
  H       0.086719      2.508879      0.916693
  H       1.711655      2.159161      2.783789
  H       1.550753      3.533042      4.852770
  H      -0.202317      5.243309      5.087586
  H      -8.103653      1.980193      6.095655
  H      -7.500073      2.508351      4.529218
  H      -6.133365      0.403226      4.344098
  H      -6.791696     -0.168214      5.870700
  H     -10.775730      0.869737      2.526237
  H     -10.629026     -3.713051      2.703871
  H      -9.051489     -5.382108      3.692489
  H      -7.054887     -4.611375      4.966612
  H      -6.609349     -2.206224      5.262163
  N      -5.534967      3.916535      3.462942
  N      -5.987804      4.017681      2.378838
  H      -5.857627      2.809752      1.672213
89
Coordinates from ORCA-job orca E -6140.477908369855
  N      -3.482833      2.082504      4.131737
  Mo     -4.637835      3.387555      5.071966
  N      -6.109066      2.514450      6.040675
  C      -5.880701      2.039159      7.405811
  C      -4.448354      1.521714      7.494158
  N      -3.554008      2.514170      6.841556
  C      -2.322973      1.900001      6.280167
  C      -2.641920      1.213105      4.959222
  C      -3.262749      3.647486      7.760797
  C      -2.886403      4.880014      6.961509
  N      -3.770216      5.001027      5.802877
  H      -1.688873      0.996243      4.443473
  H      -3.127009      0.232909      5.142834
  H      -1.609785      2.713525      6.091808
  H      -1.869285      1.201634      7.004295
  H      -2.978732      5.768835      7.611823
  H      -1.828025      4.832674      6.648446
  H      -4.184944      3.850622      8.321221
  H      -2.478012      3.367278      8.484109
  H      -6.582177      1.229725      7.663282
  H      -6.055956      2.846955      8.137774
  H      -4.372027      0.583432      6.927728
  H      -4.123985      1.332993      8.531959
  C      -3.362312      1.809498      2.703796
  C      -4.054151      0.521393      2.220395
  C      -5.430455      0.576179      1.621277
  N      -6.008719      1.734927      1.294741
  C      -7.222979      1.766188      0.657598
  N      -7.901508      0.722252      0.278756
  C      -7.377323     -0.501918      0.604782
  C      -8.096670     -1.662091      0.245551
  C      -7.607895     -2.907316      0.584432
  C      -6.388527     -3.035516      1.287440
  C      -5.658834     -1.919436      1.640600
  C      -6.133487     -0.625814      1.307452
  C      -3.715481      6.313161      5.154590
  C      -2.381152      6.685614      4.468667
  C      -2.136332      5.895909      3.212277
  N      -3.010081      6.106745      2.233321
  C      -2.846607      5.413802      1.079517
  N      -1.906004      4.532867      0.797428
  C      -0.995836      4.292440      1.786973
  C       0.031458      3.345115      1.552432
  C       0.960357      3.071913      2.534184
  C       0.906544      3.741150      3.780045
  C      -0.080034      4.672458      4.032036
  C      -1.062921      4.964252      3.051201
  C      -7.267524      1.938367      5.358812
  C      -7.047714      0.462591      4.994862
  C      -8.168813     -0.152868      4.197085
  N      -8.970799      0.668647      3.532051
  C      -9.980941      0.111381      2.807914
  N     -10.270140     -1.167208      2.686012
  C      -9.453821     -2.035662      3.355873
  C      -9.702548     -3.426100      3.257279
  C      -8.880495     -4.323740      3.906271
  C      -7.785100     -3.868464      4.676889
  C      -7.525092     -2.518040      4.795004
  C      -8.352262     -1.570489      4.141066
  H      -3.704419      2.680471      2.134131
  H      -2.292008      1.701841      2.460341
  H      -4.068262     -0.205410      3.046990
  H      -3.426154      0.044245      1.446678
  H      -7.615590      2.766359      0.461038
  H      -9.043701     -1.535759     -0.278921
  H      -8.170156     -3.802791      0.317450
  H      -6.023601     -4.027594      1.554848
  H      -4.720475     -2.037804      2.180321
  H      -4.513185      6.367068      4.403417
  H      -3.928351      7.084157      5.918706
  H      -2.467444      7.741881      4.170369
  H      -1.543184      6.620484      5.171812
  H      -3.578536      5.624852      0.293627
  H       0.059992      2.853181      0.579381
  H       1.752899      2.344907      2.349017
  H       1.660449      3.526028      4.538917
  H      -0.090666      5.195443      4.987673
  H      -8.162482      2.030507      6.000364
  H      -7.478482      2.513267      4.450704
  H      -6.114683      0.385574      4.407902
  H      -6.875365     -0.129129      5.906256
  H     -10.618593      0.818929      2.270249
  H     -10.553373     -3.752417      2.657769
  H      -9.075000     -5.394715      3.829332
  H      -7.146643     -4.592017      5.186011
  H      -6.679572     -2.182516      5.396438
  N      -5.467163      3.943598      3.475851
  N      -5.891058      4.070229      2.383834
  H      -5.850310      2.831349      1.699459
89
Coordinates from ORCA-job orca E -6140.461780686767
  N      -3.492465      2.018662      4.150240
  Mo     -4.624874      3.344279      5.088589
  N      -6.101229      2.487337      6.062580
  C      -5.873399      2.015387      7.429171
  C      -4.441852      1.486857      7.515609
  N      -3.544579      2.470862      6.853947
  C      -2.317875      1.847279      6.289304
  C      -2.653346      1.148387      4.975993
  C      -3.254008      3.611857      7.764519
  C      -2.879890      4.845122      6.964973
  N      -3.762418      4.963193      5.804328
  H      -1.707355      0.913900      4.454618
  H      -3.144473      0.175037      5.180199
  H      -1.601498      2.655822      6.091258
  H      -1.863555      1.151152      7.015407
  H      -2.977168      5.731178      7.618533
  H      -1.820027      4.805826      6.651616
  H      -4.177494      3.815727      8.322964
  H      -2.470777      3.335617      8.491210
  H      -6.582691      1.215180      7.692673
  H      -6.035816      2.826190      8.161397
  H      -4.372333      0.544822      6.954096
  H      -4.115933      1.301833      8.553480
  C      -3.411297      1.746928      2.717083
  C      -4.143110      0.480050      2.228564
  C      -5.524702      0.520825      1.626012
  N      -6.145898      1.657760      1.278750
  C      -7.348938      1.643509      0.615352
  N      -7.984352      0.575386      0.234266
  C      -7.424300     -0.626264      0.581555
  C      -8.095019     -1.813183      0.216444
  C      -7.568109     -3.038767      0.568980
  C      -6.357265     -3.120121      1.293196
  C      -5.674758     -1.976786      1.653083
  C      -6.189423     -0.701881      1.306645
  C      -3.716268      6.278860      5.159255
  C      -2.391505      6.703860      4.483840
  C      -2.097194      5.955251      3.213688
  N      -2.975893      6.136789      2.234035
  C      -2.762919      5.488183      1.063348
  N      -1.763652      4.680637      0.763923
  C      -0.842242      4.476539      1.752055
  C       0.252669      3.615373      1.493940
  C       1.194782      3.379009      2.472834
  C       1.086383      4.002055      3.739203
  C       0.033880      4.851408      4.013349
  C      -0.963252      5.101512      3.035807
  C      -7.268905      1.924557      5.386612
  C      -7.076823      0.444998      5.023231
  C      -8.218367     -0.134955      4.229998
  N      -8.993125      0.718115      3.574786
  C     -10.014431      0.200934      2.838071
  N     -10.343426     -1.066200      2.700881
  C      -9.558692     -1.967727      3.366573
  C      -9.851891     -3.348027      3.252023
  C      -9.061038     -4.278799      3.893781
  C      -7.953423     -3.866407      4.670915
  C      -7.650181     -2.526174      4.804061
  C      -8.445227     -1.545568      4.159581
  H      -3.735346      2.631470      2.161164
  H      -2.349770      1.608745      2.453340
  H      -4.153738     -0.250348      3.052762
  H      -3.526526     -0.003548      1.449759
  H      -7.770084      2.629237      0.405569
  H      -9.036061     -1.722413     -0.325815
  H      -8.092911     -3.954509      0.294629
  H      -5.960645     -4.096843      1.571255
  H      -4.741917     -2.058751      2.208916
  H      -4.513100      6.326114      4.407191
  H      -3.944759      7.039522      5.928690
  H      -2.522308      7.760345      4.201186
  H      -1.553158      6.666131      5.188593
  H      -3.515881      5.653462      0.285804
  H       0.322075      3.160213      0.505244
  H       2.039380      2.718303      2.270139
  H       1.851273      3.818050      4.495132
  H      -0.017542      5.343190      4.984619
  H      -8.163541      2.030345      6.026318
  H      -7.469497      2.503633      4.478152
  H      -6.150213      0.346137      4.429960
  H      -6.913207     -0.148191      5.934563
  H     -10.621738      0.936463      2.303312
  H     -10.711580     -3.639525      2.647177
  H      -9.289699     -5.342162      3.805961
  H      -7.339115     -4.614364      5.174543
  H      -6.795520     -2.226680      5.411595
  N      -5.398989      3.863924      3.446132
  N      -5.743723      3.920305      2.328018
  H      -5.524377      2.592977      1.741473
89
Coordinates from ORCA-job orca E -6140.481576686008
  N      -3.485052      2.114550      4.097833
  Mo     -4.639710      3.398194      5.067660
  N      -6.082371      2.505460      6.062097
  C      -5.816619      2.027100      7.420122
  C      -4.375120      1.528690      7.476217
  N      -3.507800      2.537202      6.809688
  C      -2.278342      1.945975      6.219979
  C      -2.612123      1.256572      4.903688
  C      -3.213772      3.673449      7.724712
  C      -2.871700      4.913642      6.920177
  N      -3.781321      5.024897      5.780967
  H      -1.665787      1.058037      4.368066
  H      -3.076019      0.267621      5.094302
  H      -1.583736      2.773312      6.018472
  H      -1.796808      1.253822      6.932142
  H      -2.961980      5.799275      7.575180
  H      -1.817701      4.881038      6.583908
  H      -4.126094      3.861391      8.306396
  H      -2.408954      3.404055      8.430018
  H      -6.502980      1.209397      7.691662
  H      -5.983760      2.829897      8.159579
  H      -4.298010      0.593821      6.904134
  H      -4.026789      1.340084      8.506323
  C      -3.391575      1.853908      2.666309
  C      -4.073774      0.559501      2.186520
  C      -5.463040      0.582961      1.615970
  N      -6.089618      1.724986      1.308878
  C      -7.311585      1.720729      0.680436
  N      -7.952384      0.657040      0.294375
  C      -7.379933     -0.550842      0.599062
  C      -8.055675     -1.732112      0.225379
  C      -7.515134     -2.962805      0.539107
  C      -6.285870     -3.054504      1.230067
  C      -5.598089     -1.916474      1.596731
  C      -6.126915     -0.637327      1.290466
  C      -3.747749      6.332703      5.130966
  C      -2.411984      6.690888      4.447726
  C      -2.157703      5.869332      3.214565
  N      -3.010687      6.058398      2.213148
  C      -2.823863      5.337058      1.079938
  N      -1.881125      4.444757      0.840470
  C      -0.991647      4.227439      1.854844
  C       0.041229      3.274884      1.667373
  C       0.944905      3.023898      2.678700
  C       0.858997      3.719518      3.908234
  C      -0.131811      4.657910      4.113592
  C      -1.085948      4.930297      3.100023
  C      -7.254005      1.930911      5.402148
  C      -7.046354      0.460509      5.009881
  C      -8.193170     -0.133267      4.233094
  N      -9.005601      0.707889      3.606157
  C     -10.037266      0.174059      2.895589
  N     -10.340313     -1.099433      2.754881
  C      -9.513327     -1.988072      3.384285
  C      -9.774137     -3.374163      3.260119
  C      -8.940747     -4.291816      3.865142
  C      -7.821881     -3.861461      4.616148
  C      -7.549813     -2.515788      4.758921
  C      -8.388007     -1.548035      4.150079
  H      -3.755929      2.725333      2.111521
  H      -2.324848      1.761778      2.397062
  H      -4.055574     -0.175478      3.005871
  H      -3.452880      0.100063      1.396750
  H      -7.741542      2.708931      0.503293
  H      -9.010750     -1.634408     -0.290332
  H      -8.043334     -3.875453      0.260845
  H      -5.879610     -4.035638      1.477181
  H      -4.650674     -2.005982      2.126278
  H      -4.547516      6.377908      4.381416
  H      -3.958585      7.109883      5.889384
  H      -2.489211      7.742302      4.129003
  H      -1.580790      6.633601      5.160454
  H      -3.548031      5.517948      0.279457
  H       0.095612      2.760257      0.707009
  H       1.740887      2.292194      2.530469
  H       1.591639      3.519440      4.691545
  H      -0.168580      5.200170      5.058707
  H      -8.135132      2.012830      6.064053
  H      -7.486718      2.518233      4.506955
  H      -6.128658      0.388589      4.398278
  H      -6.852979     -0.146393      5.906738
  H     -10.682052      0.897965      2.389086
  H     -10.643139     -3.680864      2.676505
  H      -9.144371     -5.359345      3.768110
  H      -7.174654     -4.600614      5.090625
  H      -6.686103     -2.199387      5.344984
  N      -5.504491      3.938389      3.478968
  N      -5.943077      4.051305      2.395691
  H      -5.825944      2.759903      1.689250
89
Coordinates from ORCA-job orca E -6140.479853585158
  N      -3.504954      2.143284      4.074943
  Mo     -4.653631      3.427211      5.056256
  N      -6.105219      2.534298      6.040487
  C      -5.849111      2.049224      7.396348
  C      -4.410713      1.540723      7.455289
  N      -3.535207      2.543915      6.793833
  C      -2.309574      1.945260      6.201567
  C      -2.646660      1.268630      4.878027
  C      -3.235908      3.673512      7.716243
  C      -2.880258      4.914203      6.919902
  N      -3.786361      5.041691      5.778869
  H      -1.700580      1.059796      4.345384
  H      -3.123047      0.283942      5.063187
  H      -1.607170      2.767943      6.008318
  H      -1.835378      1.242968      6.908925
  H      -2.959899      5.797484      7.579754
  H      -1.826746      4.870735      6.585002
  H      -4.149559      3.866331      8.294271
  H      -2.436748      3.394442      8.424469
  H      -6.541009      1.233709      7.660926
  H      -6.013966      2.849201      8.139783
  H      -4.337636      0.607183      6.880327
  H      -4.065957      1.346862      8.485695
  C      -3.411507      1.897438      2.641026
  C      -4.119460      0.617801      2.154820
  C      -5.510176      0.665209      1.590202
  N      -6.105295      1.814919      1.243169
  C      -7.327919      1.841199      0.615564
  N      -8.004383      0.789215      0.267410
  C      -7.472368     -0.427618      0.610302
  C      -8.190285     -1.594442      0.274594
  C      -7.691579     -2.833458      0.622937
  C      -6.464480     -2.947833      1.314487
  C      -5.735731     -1.824519      1.645975
  C      -6.219433     -0.537347      1.301031
  C      -3.727973      6.349065      5.128612
  C      -2.381740      6.680241      4.450848
  C      -2.138246      5.846485      3.223589
  N      -2.976251      6.052328      2.212852
  C      -2.799189      5.317856      1.086962
  N      -1.881834      4.395549      0.862825
  C      -1.009296      4.158299      1.887367
  C      -0.007303      3.169728      1.719282
  C       0.874112      2.894666      2.743669
  C       0.797260      3.601402      3.967520
  C      -0.161883      4.575763      4.153269
  C      -1.093793      4.874399      3.125833
  C      -7.249927      1.929234      5.361671
  C      -6.993031      0.460030      4.990473
  C      -8.099495     -0.182381      4.193699
  N      -8.914914      0.619488      3.520407
  C      -9.908678      0.038172      2.792377
  N     -10.169601     -1.246781      2.672414
  C      -9.338693     -2.095604      3.350207
  C      -9.558809     -3.491338      3.256826
  C      -8.723490     -4.369265      3.916240
  C      -7.641610     -3.887778      4.689920
  C      -7.409770     -2.531758      4.802974
  C      -8.252626     -1.603917      4.140872
  H      -3.760690      2.780192      2.093341
  H      -2.346801      1.788379      2.368474
  H      -4.112959     -0.118438      2.973329
  H      -3.510724      0.146501      1.361919
  H      -7.719770      2.840104      0.414340
  H      -9.142622     -1.478810     -0.242620
  H      -8.250819     -3.734626      0.369664
  H      -6.091496     -3.934963      1.588765
  H      -4.790424     -1.931596      2.175779
  H      -4.522246      6.404406      4.374008
  H      -3.929428      7.133281      5.882600
  H      -2.436713      7.731793      4.127434
  H      -1.554742      6.607610      5.166171
  H      -3.507667      5.516391      0.276554
  H       0.042988      2.647027      0.762939
  H       1.645964      2.134775      2.610340
  H       1.512034      3.380482      4.761648
  H      -0.192734      5.124510      5.094418
  H      -8.146985      1.991948      6.004231
  H      -7.477810      2.502266      4.456205
  H      -6.058260      0.408540      4.402794
  H      -6.803485     -0.129066      5.900014
  H     -10.558795      0.730353      2.249148
  H     -10.400580     -3.836819      2.655233
  H      -8.897833     -5.444381      3.846783
  H      -6.992215     -4.595099      5.207928
  H      -6.576650     -2.177290      5.411018
  N      -5.502157      4.002823      3.460792
  N      -5.914739      4.131814      2.375986
  H      -5.872138      2.735315      1.648542
89
Coordinates from ORCA-job orca E -6140.482461653089
  N      -3.514898      2.189961      4.048997
  Mo     -4.654642      3.457851      5.054457
  N      -6.094667      2.551721      6.044975
  C      -5.810164      2.062987      7.395727
  C      -4.370219      1.558673      7.428384
  N      -3.507989      2.576666      6.771136
  C      -2.285421      1.992924      6.158523
  C      -2.630094      1.322124      4.833390
  C      -3.205594      3.696975      7.702692
  C      -2.870552      4.948448      6.912015
  N      -3.789571      5.078610      5.782037
  H      -1.686760      1.139539      4.286249
  H      -3.087441      0.327596      5.010297
  H      -1.592738      2.822565      5.960153
  H      -1.795580      1.290938      6.855454
  H      -2.947680      5.826370      7.579241
  H      -1.820053      4.910829      6.567049
  H      -4.110687      3.875144      8.298425
  H      -2.390723      3.417675      8.392656
  H      -6.494440      1.245020      7.672740
  H      -5.965144      2.861707      8.142191
  H      -4.301872      0.633911      6.838990
  H      -4.011847      1.351321      8.451586
  C      -3.430971      1.964812      2.610790
  C      -4.088706      0.663170      2.108344
  C      -5.498696      0.648109      1.587824
  N      -6.172732      1.772308      1.304544
  C      -7.409086      1.753165      0.704261
  N      -8.025664      0.677772      0.320861
  C      -7.413256     -0.518367      0.597606
  C      -8.067442     -1.709988      0.222786
  C      -7.488074     -2.930951      0.504450
  C      -6.239258     -3.001299      1.161599
  C      -5.571169     -1.851765      1.529652
  C      -6.140832     -0.582071      1.258721
  C      -3.721616      6.378546      5.120931
  C      -2.381679      6.684224      4.418422
  C      -2.150056      5.794915      3.228418
  N      -2.999703      5.953554      2.218903
  C      -2.845187      5.156363      1.132806
  N      -1.933539      4.220503      0.943343
  C      -1.048158      4.031977      1.967332
  C      -0.048721      3.035016      1.835596
  C       0.840433      2.804303      2.864578
  C       0.773728      3.564247      4.056176
  C      -0.180055      4.550680      4.204279
  C      -1.116609      4.807621      3.170434
  C      -7.260130      1.959647      5.393811
  C      -7.029644      0.493298      4.999885
  C      -8.177686     -0.130383      4.250931
  N      -9.043248      0.687706      3.666287
  C     -10.082582      0.125491      2.990443
  N     -10.346808     -1.156796      2.846913
  C      -9.463724     -2.022249      3.431500
  C      -9.677493     -3.416140      3.299857
  C      -8.784946     -4.308697      3.856949
  C      -7.652389     -3.845316      4.566642
  C      -7.425900     -2.492254      4.716875
  C      -8.324931     -1.550019      4.156730
  H      -3.827079      2.837894      2.080276
  H      -2.366416      1.907059      2.322372
  H      -4.017422     -0.098466      2.899501
  H      -3.481045      0.256703      1.279631
  H      -7.865345      2.734433      0.560311
  H      -9.036824     -1.629442     -0.268652
  H      -8.000231     -3.852242      0.225132
  H      -5.801843     -3.975411      1.381855
  H      -4.608176     -1.925125      2.032517
  H      -4.523642      6.433042      4.374290
  H      -3.905756      7.174316      5.867368
  H      -2.434877      7.721655      4.052565
  H      -1.551607      6.638591      5.132810
  H      -3.566502      5.314886      0.324552
  H      -0.004861      2.469080      0.903670
  H       1.610262      2.038023      2.759125
  H       1.493119      3.377113      4.854854
  H      -0.200908      5.140623      5.120268
  H      -8.135976      2.021831      6.065189
  H      -7.514904      2.544694      4.503134
  H      -6.118438      0.437200      4.376363
  H      -6.808148     -0.108603      5.894254
  H     -10.768031      0.831993      2.512976
  H     -10.557428     -3.748832      2.747680
  H      -8.951258     -5.382381      3.753729
  H      -6.957872     -4.565291      5.002099
  H      -6.550814     -2.148620      5.269812
  N      -5.523404      4.039294      3.471648
  N      -5.958548      4.176523      2.396690
  H      -5.905910      2.763184      1.664944
89
Coordinates from ORCA-job orca E -6140.481302836927
  N      -3.492886      2.059830      4.132988
  Mo     -4.632770      3.378191      5.076836
  N      -6.115846      2.516262      6.041840
  C      -5.875681      2.042977      7.407195
  C      -4.445951      1.514545      7.488381
  N      -3.548122      2.507222      6.838967
  C      -2.320067      1.891324      6.274630
  C      -2.645069      1.195547      4.959694
  C      -3.251930      3.638674      7.758144
  C      -2.881911      4.875377      6.959929
  N      -3.772876      5.002015      5.807017
  H      -1.692688      0.979118      4.441464
  H      -3.125919      0.214970      5.152394
  H      -1.608174      2.703985      6.077110
  H      -1.861825      1.196827      6.999828
  H      -2.970506      5.759974      7.616933
  H      -1.823722      4.830228      6.642644
  H      -4.169879      3.838276      8.326479
  H      -2.460261      3.359246      8.474379
  H      -6.583230      1.243520      7.679685
  H      -6.033326      2.857042      8.135798
  H      -4.376852      0.579043      6.916492
  H      -4.119940      1.318339      8.524575
  C      -3.378322      1.783513      2.708064
  C      -4.052499      0.485205      2.225758
  C      -5.442302      0.508209      1.665427
  N      -6.049755      1.657678      1.344320
  C      -7.263289      1.690262      0.702931
  N      -7.915201      0.638338      0.309629
  C      -7.369861     -0.582107      0.620887
  C      -8.063931     -1.746735      0.233213
  C      -7.551657     -2.989920      0.546909
  C      -6.331228     -3.109797      1.248477
  C      -5.625191     -1.987921      1.630542
  C      -6.126813     -0.696758      1.329109
  C      -3.711011      6.316017      5.164982
  C      -2.383645      6.704112      4.471975
  C      -2.124632      5.919102      3.216258
  N      -2.999458      6.120714      2.236151
  C      -2.821182      5.439743      1.077832
  N      -1.854640      4.590387      0.785978
  C      -0.940095      4.362876      1.775305
  C       0.114564      3.449138      1.530966
  C       1.040383      3.178347      2.516656
  C       0.954280      3.815325      3.777347
  C      -0.057295      4.717346      4.037743
  C      -1.033772      5.008836      3.050961
  C      -7.277685      1.944421      5.368559
  C      -7.080107      0.466370      5.008268
  C      -8.221254     -0.129525      4.228195
  N      -9.029881      0.708050      3.592257
  C     -10.057471      0.170997      2.879585
  N     -10.362536     -1.103228      2.747051
  C      -9.539901     -1.988571      3.387625
  C      -9.797203     -3.376018      3.268826
  C      -8.960790     -4.289395      3.877067
  C      -7.844154     -3.853651      4.628243
  C      -7.576416     -2.506768      4.766992
  C      -8.416249     -1.544299      4.152853
  H      -3.737420      2.648073      2.139736
  H      -2.310611      1.687805      2.450548
  H      -4.025015     -0.257914      3.037231
  H      -3.433947      0.041133      1.424431
  H      -7.664209      2.690360      0.526891
  H      -9.010536     -1.627514     -0.293396
  H      -8.096568     -3.889817      0.259646
  H      -5.947156     -4.100247      1.493847
  H      -4.685086     -2.099814      2.168510
  H      -4.513789      6.379397      4.419721
  H      -3.916297      7.082327      5.936227
  H      -2.488010      7.757510      4.169473
  H      -1.544144      6.657158      5.175311
  H      -3.572195      5.621687      0.302014
  H       0.167278      2.979444      0.547820
  H       1.853969      2.477062      2.323641
  H       1.703199      3.600305      4.541153
  H      -0.093543      5.214668      5.006673
  H      -8.171305      2.044162      6.011426
  H      -7.488266      2.520586      4.460486
  H      -6.151507      0.369987      4.416953
  H      -6.910362     -0.125723      5.920886
  H     -10.687920      0.893297      2.353343
  H     -10.663380     -3.687532      2.683549
  H      -9.158499     -5.358128      3.780564
  H      -7.194088     -4.589786      5.103511
  H      -6.713023     -2.184455      5.350051
  N      -5.447657      3.954980      3.458936
  N      -5.855835      4.094940      2.371730
  H      -5.689633      2.707643      1.610547
89
Coordinates from ORCA-job orca E -6140.483245054295
  N      -3.502171      2.064652      4.149440
  Mo     -4.633888      3.383949      5.101955
  N      -6.110263      2.524974      6.081431
  C      -5.858822      2.055810      7.446227
  C      -4.428333      1.528155      7.515949
  N      -3.535803      2.519210      6.856165
  C      -2.312975      1.900515      6.283096
  C      -2.646174      1.202526      4.970531
  C      -3.231144      3.653903      7.768284
  C      -2.868972      4.888996      6.963138
  N      -3.769161      5.012654      5.817016
  H      -1.696419      0.990523      4.445775
  H      -3.121470      0.219905      5.165983
  H      -1.601786      2.712237      6.078595
  H      -1.849568      1.207228      7.006397
  H      -2.952325      5.775026      7.618970
  H      -1.812598      4.843108      6.637596
  H      -4.143537      3.854641      8.345273
  H      -2.431953      3.377348      8.477389
  H      -6.563737      1.257298      7.728231
  H      -6.009741      2.872108      8.174052
  H      -4.364686      0.591872      6.944661
  H      -4.093134      1.332844      8.549420
  C      -3.384627      1.796873      2.722172
  C      -4.042656      0.491867      2.232315
  C      -5.419871      0.499857      1.640973
  N      -6.037203      1.641222      1.301838
  C      -7.243204      1.659346      0.642950
  N      -7.872968      0.598687      0.240300
  C      -7.316705     -0.613905      0.562644
  C      -7.987957     -1.787493      0.163406
  C      -7.466242     -3.023738      0.489417
  C      -6.258997     -3.127190      1.215932
  C      -5.575216     -1.995877      1.610485
  C      -6.085983     -0.711775      1.294864
  C      -3.710522      6.324261      5.173196
  C      -2.386528      6.698656      4.468369
  C      -2.147825      5.908090      3.212362
  N      -3.021749      6.125234      2.234731
  C      -2.858623      5.441986      1.075537
  N      -1.907861      4.575980      0.780580
  C      -0.994265      4.332965      1.767327
  C       0.046661      3.405014      1.518306
  C       0.973286      3.121780      2.500031
  C       0.900976      3.759534      3.761238
  C      -0.097197      4.675351      4.026027
  C      -1.072145      4.981331      3.042714
  C      -7.281234      1.961279      5.417077
  C      -7.089441      0.487207      5.034810
  C      -8.235599     -0.098129      4.253193
  N      -9.048411      0.746974      3.631681
  C     -10.082294      0.217760      2.921872
  N     -10.390850     -1.054725      2.780198
  C      -9.560415     -1.947529      3.399603
  C      -9.816240     -3.333722      3.263290
  C      -8.970382     -4.254116      3.847545
  C      -7.846683     -3.826921      4.593018
  C      -7.581096     -2.481622      4.749794
  C      -8.429716     -1.511965      4.159269
  H      -3.748180      2.661017      2.155520
  H      -2.315011      1.711117      2.466588
  H      -4.026700     -0.247640      3.047454
  H      -3.406895      0.048554      1.444552
  H      -7.651156      2.655070      0.459284
  H      -8.925507     -1.681049     -0.381687
  H      -7.994697     -3.930619      0.193607
  H      -5.868328     -4.112230      1.472034
  H      -4.645673     -2.094391      2.169170
  H      -4.520204      6.391162      4.435710
  H      -3.902413      7.093711      5.944755
  H      -2.481013      7.753041      4.165795
  H      -1.541494      6.642590      5.165139
  H      -3.606975      5.638883      0.301233
  H       0.087359      2.933254      0.535653
  H       1.775865      2.408786      2.303815
  H       1.649528      3.533580      4.522229
  H      -0.122982      5.173123      4.995378
  H      -8.168163      2.054816      6.070236
  H      -7.501076      2.547929      4.517696
  H      -6.164062      0.398136      4.437135
  H      -6.914077     -0.117083      5.937826
  H     -10.723622      0.946032      2.417397
  H     -10.688324     -3.638510      2.683240
  H      -9.165557     -5.321913      3.736288
  H      -7.189294     -4.568504      5.049385
  H      -6.711622     -2.165768      5.327360
  N      -5.463899      3.949749      3.483365
  N      -5.871903      4.073494      2.398921
  H      -5.760674      2.586047      1.688087
89
Coordinates from ORCA-job orca E -6140.484697639951
  N      -3.526481      2.157676      4.044660
  Mo     -4.653218      3.445150      5.041733
  N      -6.117779      2.553760      6.011097
  C      -5.852736      2.069800      7.367679
  C      -4.420712      1.548104      7.415991
  N      -3.535621      2.553502      6.768264
  C      -2.318252      1.948642      6.167043
  C      -2.660787      1.279045      4.840361
  C      -3.220098      3.666878      7.704388
  C      -2.867615      4.916123      6.917151
  N      -3.780933      5.060085      5.784223
  H      -1.714286      1.083784      4.303172
  H      -3.132596      0.290709      5.013743
  H      -1.611562      2.767467      5.971386
  H      -1.844371      1.241814      6.870259
  H      -2.937560      5.794202      7.585337
  H      -1.815114      4.867684      6.578059
  H      -4.123924      3.854827      8.298800
  H      -2.409690      3.375873      8.394598
  H      -6.547945      1.260732      7.644219
  H      -6.006221      2.876829      8.105244
  H      -4.359396      0.623679      6.825561
  H      -4.075805      1.333578      8.442510
  C      -3.419370      1.926617      2.609259
  C      -4.090394      0.631121      2.107485
  C      -5.495530      0.648318      1.577969
  N      -6.119921      1.791879      1.259265
  C      -7.358658      1.820467      0.664257
  N      -8.025028      0.763552      0.316025
  C      -7.465393     -0.451510      0.621602
  C      -8.172756     -1.620530      0.275764
  C      -7.646106     -2.859552      0.583435
  C      -6.400554     -2.970092      1.240821
  C      -5.681782     -1.843350      1.583346
  C      -6.193890     -0.557009      1.281232
  C      -3.711173      6.369118      5.145876
  C      -2.367468      6.682844      4.455409
  C      -2.133747      5.824992      3.243018
  N      -2.969485      6.021344      2.227656
  C      -2.797974      5.265165      1.114746
  N      -1.878388      4.341641      0.900919
  C      -1.006466      4.117329      1.929289
  C       0.003078      3.133321      1.773789
  C       0.877379      2.866997      2.806948
  C       0.785357      3.576454      4.027712
  C      -0.178302      4.549073      4.200171
  C      -1.098944      4.842414      3.161831
  C      -7.272473      1.961938      5.343032
  C      -7.034976      0.485710      4.990361
  C      -8.146044     -0.166775      4.210680
  N      -8.993515      0.622361      3.562503
  C      -9.993723      0.026051      2.856434
  N     -10.239560     -1.263222      2.744418
  C      -9.377029     -2.098965      3.398228
  C      -9.576222     -3.498860      3.312969
  C      -8.703859     -4.361618      3.944045
  C      -7.604299     -3.862480      4.680953
  C      -7.392897     -2.502858      4.787059
  C      -8.274850     -1.590705      4.154540
  H      -3.796646      2.800365      2.064190
  H      -2.350802      1.852211      2.337170
  H      -4.038790     -0.128966      2.901394
  H      -3.485381      0.213380      1.281845
  H      -7.764020      2.819765      0.496138
  H      -9.138358     -1.509030     -0.217144
  H      -8.198435     -3.763207      0.324233
  H      -6.006200     -3.957517      1.482329
  H      -4.721805     -1.947521      2.087302
  H      -4.511975      6.441682      4.398954
  H      -3.893012      7.151161      5.907621
  H      -2.417572      7.728990      4.115309
  H      -1.540743      6.616606      5.172831
  H      -3.512627      5.448718      0.306058
  H       0.066599      2.606391      0.820246
  H       1.654887      2.111401      2.682303
  H       1.492054      3.361416      4.830665
  H      -0.220670      5.100846      5.139419
  H      -8.165687      2.042035      5.989666
  H      -7.500095      2.530540      4.434343
  H      -6.097197      0.412411      4.408541
  H      -6.851957     -0.093725      5.908495
  H     -10.663093      0.708453      2.323686
  H     -10.430135     -3.860595      2.738614
  H      -8.860683     -5.439839      3.879124
  H      -6.925403     -4.560221      5.173492
  H      -6.545065     -2.129050      5.362371
  N      -5.519397      4.057481      3.458944
  N      -5.962244      4.222131      2.394795
  H      -5.813069      2.746978      1.606347
89
Coordinates from ORCA-job orca E -6140.485678064029
  N      -3.517710      2.116170      4.080823
  Mo     -4.646037      3.419754      5.057244
  N      -6.123553      2.544535      6.021428
  C      -5.869701      2.072005      7.384488
  C      -4.442019      1.539603      7.447144
  N      -3.546754      2.535407      6.798519
  C      -2.327389      1.919938      6.213624
  C      -2.662307      1.240736      4.890626
  C      -3.233813      3.654410      7.728251
  C      -2.873090      4.898554      6.936682
  N      -3.778258      5.038796      5.796643
  H      -1.711967      1.036683      4.363470
  H      -3.138653      0.255622      5.069991
  H      -1.615347      2.733452      6.017374
  H      -1.863049      1.216751      6.926800
  H      -2.946973      5.779097      7.601208
  H      -1.818517      4.848466      6.606033
  H      -4.140996      3.848475      8.315548
  H      -2.428973      3.365368      8.425783
  H      -6.574552      1.273622      7.667323
  H      -6.017849      2.888581      8.112534
  H      -4.382121      0.610376      6.864137
  H      -4.106221      1.330689      8.477814
  C      -3.387855      1.883559      2.648850
  C      -4.039758      0.585776      2.131075
  C      -5.440247      0.593680      1.595771
  N      -6.068911      1.736288      1.282601
  C      -7.303919      1.765311      0.680169
  N      -7.959448      0.707251      0.315055
  C      -7.395553     -0.508077      0.614043
  C      -8.091166     -1.678021      0.248429
  C      -7.560936     -2.917033      0.551021
  C      -6.323574     -3.026609      1.223547
  C      -5.615429     -1.898862      1.584418
  C      -6.131215     -0.612711      1.287248
  C      -3.710050      6.350033      5.158294
  C      -2.373834      6.689078      4.460442
  C      -2.136186      5.857698      3.230695
  N      -2.987455      6.060904      2.229940
  C      -2.818824      5.331361      1.099493
  N      -1.884882      4.431243      0.853233
  C      -0.995150      4.201500      1.864761
  C       0.029499      3.240737      1.672071
  C       0.925006      2.968634      2.685212
  C       0.839320      3.649893      3.922387
  C      -0.139881      4.599666      4.131213
  C      -1.083537      4.896782      3.114678
  C      -7.283527      1.962575      5.354516
  C      -7.068561      0.483733      5.002323
  C      -8.199385     -0.146403      4.234335
  N      -9.049029      0.662803      3.615268
  C     -10.071709      0.090103      2.922588
  N     -10.338245     -1.193847      2.799269
  C      -9.473381     -2.050320      3.422867
  C      -9.693637     -3.445804      3.322136
  C      -8.819376     -4.329247      3.921238
  C      -7.696841     -3.855504      4.640027
  C      -7.464531     -2.500385      4.760789
  C      -8.347835     -1.567672      4.161258
  H      -3.760195      2.756438      2.099573
  H      -2.315942      1.814477      2.392959
  H      -3.981919     -0.183335      2.915644
  H      -3.425863      0.186260      1.302861
  H      -7.711276      2.764434      0.516241
  H      -9.051470     -1.567576     -0.254682
  H      -8.104492     -3.821380      0.275951
  H      -5.926352     -4.013832      1.460931
  H      -4.660866     -2.001954      2.098485
  H      -4.514956      6.422765      4.415926
  H      -3.894179      7.126705      5.924838
  H      -2.444226      7.738476      4.134356
  H      -1.539294      6.628692      5.168907
  H      -3.547338      5.519415      0.304204
  H       0.086286      2.735740      0.706505
  H       1.714453      2.230922      2.531829
  H       1.563109      3.431374      4.709040
  H      -0.176301      5.130610      5.082242
  H      -8.176306      2.055307      6.000035
  H      -7.504007      2.533100      4.445073
  H      -6.137958      0.395094      4.411606
  H      -6.887370     -0.097991      5.919317
  H     -10.742006      0.789383      2.414080
  H     -10.565302     -3.787671      2.762442
  H      -8.992945     -5.404022      3.845364
  H      -7.016648     -4.569195      5.107288
  H      -6.598797     -2.146605      5.321812
  N      -5.495896      4.029634      3.459335
  N      -5.929830      4.195974      2.392344
  H      -5.741409      2.697968      1.588550
89
Coordinates from ORCA-job orca E -6140.486163293615
  N      -3.520624      2.113572      4.076369
  Mo     -4.643983      3.423538      5.051446
  N      -6.131098      2.552883      6.004219
  C      -5.885079      2.082023      7.369736
  C      -4.461766      1.538141      7.438510
  N      -3.556852      2.528217      6.793751
  C      -2.339607      1.905065      6.212463
  C      -2.675698      1.229982      4.887942
  C      -3.238870      3.642949      7.727232
  C      -2.871676      4.888312      6.941050
  N      -3.775480      5.037648      5.801017
  H      -1.725209      1.016427      4.364640
  H      -3.160980      0.249201      5.067067
  H      -1.621400      2.713994      6.019914
  H      -1.882533      1.197418      6.925937
  H      -2.941515      5.766533      7.609124
  H      -1.817045      4.835596      6.610952
  H      -4.145675      3.839204      8.314321
  H      -2.436316      3.347148      8.424469
  H      -6.598345      1.292057      7.654725
  H      -6.026126      2.903278      8.093726
  H      -4.405959      0.608625      6.855530
  H      -4.131764      1.326503      8.470511
  C      -3.376958      1.893870      2.644407
  C      -4.014747      0.597540      2.108266
  C      -5.425445      0.591472      1.604813
  N      -6.060693      1.729355      1.285757
  C      -7.305678      1.751659      0.703639
  N      -7.962567      0.688355      0.356897
  C      -7.389411     -0.523055      0.654740
  C      -8.080681     -1.697508      0.296522
  C      -7.539288     -2.933188      0.593641
  C      -6.296519     -3.034544      1.256863
  C      -5.592285     -1.901965      1.610711
  C      -6.117686     -0.619093      1.315776
  C      -3.699746      6.352737      5.169684
  C      -2.361863      6.694480      4.474431
  C      -2.126917      5.875013      3.236651
  N      -2.970630      6.102143      2.234621
  C      -2.807327      5.384559      1.096174
  N      -1.886602      4.472949      0.843778
  C      -1.004830      4.218522      1.856093
  C       0.002407      3.241347      1.657269
  C       0.889197      2.942584      2.670400
  C       0.811672      3.612874      3.914230
  C      -0.151408      4.577442      4.129531
  C      -1.086979      4.901005      3.113374
  C      -7.286968      1.970747      5.330533
  C      -7.072397      0.491486      4.983177
  C      -8.206289     -0.140838      4.222635
  N      -9.066789      0.665934      3.615956
  C     -10.093417      0.089268      2.931937
  N     -10.355189     -1.195677      2.809397
  C      -9.480136     -2.049421      3.422889
  C      -9.697450     -3.445643      3.326547
  C      -8.814019     -4.325822      3.917483
  C      -7.683425     -3.847717      4.620429
  C      -7.453267     -2.491649      4.735616
  C      -8.347223     -1.562741      4.146551
  H      -3.749310      2.769644      2.099591
  H      -2.303221      1.832768      2.395957
  H      -3.922510     -0.190436      2.869871
  H      -3.411968      0.234378      1.255043
  H      -7.716219      2.748928      0.536745
  H      -9.045901     -1.593726     -0.198373
  H      -8.078280     -3.840774      0.320567
  H      -5.890985     -4.018987      1.491525
  H      -4.632151     -1.999004      2.115284
  H      -4.504145      6.434910      4.427867
  H      -3.880393      7.124589      5.941753
  H      -2.431211      7.746605      4.157107
  H      -1.526845      6.626749      5.181562
  H      -3.530234      5.591780      0.300567
  H       0.052377      2.745122      0.686973
  H       1.665385      2.191965      2.512029
  H       1.528648      3.373269      4.700972
  H      -0.181922      5.099248      5.085796
  H      -8.184791      2.066967      5.968517
  H      -7.499223      2.540021      4.418094
  H      -6.143743      0.399117      4.389830
  H      -6.890459     -0.086337      5.902581
  H     -10.772537      0.786206      2.432265
  H     -10.575461     -3.790940      2.778959
  H      -8.987291     -5.401188      3.848844
  H      -6.995505     -4.558698      5.080464
  H      -6.581341     -2.134567      5.284858
  N      -5.486459      4.048872      3.449635
  N      -5.917325      4.227156      2.384765
  H      -5.707014      2.685983      1.572088
89
Coordinates from ORCA-job orca E -6140.486664241075
  N      -3.527171      2.117125      4.050753
  Mo     -4.647574      3.421081      5.040075
  N      -6.126508      2.538431      5.994606
  C      -5.869650      2.066007      7.357571
  C      -4.443863      1.527995      7.416521
  N      -3.546433      2.524033      6.769194
  C      -2.330707      1.906218      6.178388
  C      -2.675135      1.233339      4.854795
  C      -3.227006      3.634792      7.707202
  C      -2.871807      4.887267      6.927302
  N      -3.780988      5.036403      5.791927
  H      -1.727904      1.019191      4.325525
  H      -3.158759      0.252443      5.037537
  H      -1.615934      2.717476      5.982866
  H      -1.867097      1.197985      6.887094
  H      -2.944824      5.761237      7.600683
  H      -1.817653      4.844573      6.593604
  H      -4.131430      3.822400      8.300768
  H      -2.418857      3.338549      8.397617
  H      -6.577752      1.272598      7.646595
  H      -6.009245      2.885796      8.083372
  H      -4.387280      0.599837      6.831572
  H      -4.106482      1.315532      8.445982
  C      -3.383149      1.906778      2.617868
  C      -4.002496      0.603586      2.075003
  C      -5.414970      0.592783      1.581761
  N      -6.041502      1.735102      1.257501
  C      -7.291733      1.772758      0.686619
  N      -7.961529      0.713569      0.354005
  C      -7.398574     -0.503174      0.652612
  C      -8.105271     -1.671303      0.306304
  C      -7.576573     -2.912035      0.608685
  C      -6.332126     -3.023876      1.265764
  C      -5.612323     -1.897334      1.608258
  C      -6.123825     -0.610615      1.307352
  C      -3.712240      6.354208      5.167164
  C      -2.372620      6.706417      4.478501
  C      -2.123701      5.884520      3.245434
  N      -2.950982      6.115554      2.230591
  C      -2.777798      5.392937      1.096761
  N      -1.858605      4.475394      0.858952
  C      -0.990494      4.220925      1.882908
  C       0.017939      3.242041      1.697812
  C       0.890658      2.941951      2.722759
  C       0.797584      3.613129      3.964898
  C      -0.165888      4.580267      4.166302
  C      -1.087229      4.905024      3.138028
  C      -7.285234      1.957254      5.326331
  C      -7.071744      0.477137      4.985681
  C      -8.203787     -0.159411      4.226911
  N      -9.054961      0.643544      3.602363
  C     -10.074647      0.063020      2.911298
  N     -10.338949     -1.222384      2.799315
  C      -9.475434     -2.072132      3.434242
  C      -9.696963     -3.468395      3.351856
  C      -8.823655     -4.344811      3.963147
  C      -7.699463     -3.863018      4.673713
  C      -7.464928     -2.506505      4.774805
  C      -8.348565     -1.581695      4.164345
  H      -3.769458      2.780673      2.078527
  H      -2.309734      1.864840      2.363789
  H      -3.895149     -0.191105      2.826952
  H      -3.400018      0.260260      1.213230
  H      -7.690826      2.774703      0.521150
  H      -9.073363     -1.559913     -0.181227
  H      -8.128969     -3.814684      0.345927
  H      -5.939466     -4.011296      1.509101
  H      -4.652769     -2.001599      2.112600
  H      -4.514561      6.435373      4.422856
  H      -3.899410      7.121317      5.942333
  H      -2.447691      7.757161      4.159207
  H      -1.542230      6.645695      5.192250
  H      -3.487077      5.604950      0.290240
  H       0.080520      2.746440      0.727881
  H       1.667820      2.190216      2.574818
  H       1.504065      3.373569      4.761138
  H      -0.205923      5.105307      5.120602
  H      -8.182055      2.058187      5.964841
  H      -7.497935      2.523474      4.411875
  H      -6.143652      0.384178      4.391690
  H      -6.888938     -0.095933      5.907958
  H     -10.742662      0.756808      2.392463
  H     -10.568911     -3.817458      2.797003
  H      -8.999645     -5.420094      3.903961
  H      -7.018293     -4.571462      5.147524
  H      -6.595152     -2.145671      5.324963
  N      -5.515953      4.071991      3.448186
  N      -5.969764      4.287970      2.403646
  H      -5.652152      2.678999      1.514923
89
Coordinates from ORCA-job orca E -6140.486643786130
  N      -3.516753      2.109662      4.052767
  Mo     -4.635914      3.419427      5.034616
  N      -6.132532      2.544022      5.968163
  C      -5.891875      2.068919      7.333432
  C      -4.471165      1.520018      7.406920
  N      -3.558461      2.509918      6.770260
  C      -2.342370      1.882304      6.190030
  C      -2.680903      1.215305      4.861947
  C      -3.236689      3.614478      7.715458
  C      -2.866251      4.867335      6.943247
  N      -3.765678      5.026496      5.801519
  H      -1.731629      0.990035      4.341217
  H      -3.178003      0.240294      5.039684
  H      -1.618616      2.687860      6.003679
  H      -1.892255      1.168307      6.901651
  H      -2.938868      5.739944      7.618563
  H      -1.809564      4.819215      6.618299
  H      -4.144316      3.806893      8.302522
  H      -2.436472      3.308651      8.410801
  H      -6.608953      1.281280      7.616114
  H      -6.031648      2.890671      8.056874
  H      -4.415374      0.591696      6.822243
  H      -4.145944      1.304375      8.439608
  C      -3.360013      1.904812      2.620701
  C      -3.967011      0.598345      2.070466
  C      -5.387444      0.573999      1.599433
  N      -6.022336      1.713136      1.274494
  C      -7.280436      1.744659      0.719729
  N      -7.950372      0.680847      0.403385
  C      -7.380437     -0.532418      0.703662
  C      -8.085803     -1.704555      0.370257
  C      -7.549890     -2.942347      0.674379
  C      -6.300521     -3.046311      1.322427
  C      -5.581407     -1.915247      1.652210
  C      -6.098488     -0.632168      1.346490
  C      -3.697390      6.351311      5.193093
  C      -2.358384      6.708772      4.505987
  C      -2.122163      5.903083      3.259850
  N      -2.958993      6.150780      2.256231
  C      -2.800358      5.443136      1.110939
  N      -1.888525      4.523946      0.852101
  C      -1.010052      4.254271      1.863050
  C      -0.005094      3.276988      1.652872
  C       0.881565      2.964321      2.661951
  C       0.806583      3.621925      3.912707
  C      -0.153628      4.586918      4.138549
  C      -1.089767      4.923023      3.127593
  C      -7.288562      1.970476      5.288568
  C      -7.081217      0.489334      4.949325
  C      -8.217241     -0.146067      4.194661
  N      -9.072225      0.656392      3.574150
  C     -10.098228      0.074757      2.892453
  N     -10.365125     -1.210562      2.787000
  C      -9.498304     -2.059452      3.418128
  C      -9.724641     -3.455394      3.345202
  C      -8.849935     -4.330965      3.955666
  C      -7.718656     -3.848874      4.654669
  C      -7.479317     -2.492484      4.746393
  C      -8.365183     -1.568533      4.137970
  H      -3.747295      2.778665      2.080317
  H      -2.284484      1.871211      2.372548
  H      -3.829842     -0.208879      2.803296
  H      -3.373308      0.286640      1.190419
  H      -7.685074      2.744549      0.555491
  H      -9.058621     -1.599861     -0.109330
  H      -8.100807     -3.848142      0.419572
  H      -5.902712     -4.031029      1.568489
  H      -4.617184     -2.013401      2.149185
  H      -4.499688      6.442576      4.449877
  H      -3.884151      7.109083      5.977649
  H      -2.431734      7.763893      4.201978
  H      -1.525283      6.634823      5.215753
  H      -3.513229      5.673355      0.312746
  H       0.043520      2.794530      0.675502
  H       1.656284      2.214232      2.494179
  H       1.524761      3.374246      4.695893
  H      -0.178595      5.104006      5.097875
  H      -8.190023      2.078368      5.919503
  H      -7.489993      2.537534      4.372099
  H      -6.155179      0.394529      4.352082
  H      -6.898428     -0.083408      5.871752
  H     -10.771861      0.766962      2.378499
  H     -10.601583     -3.805370      2.798852
  H      -9.030667     -5.405886      3.905200
  H      -7.036431     -4.557067      5.127322
  H      -6.603957     -2.130963      5.287118
  N      -5.486972      4.092947      3.434251
  N      -5.934926      4.335631      2.395454
  H      -5.628491      2.623681      1.517878
89
Coordinates from ORCA-job orca E -6140.486969501207
  N      -3.512811      2.091133      4.059097
  Mo     -4.634390      3.404975      5.030103
  N      -6.142593      2.539923      5.955452
  C      -5.914576      2.068534      7.324217
  C      -4.499270      1.509525      7.409012
  N      -3.574974      2.491537      6.776879
  C      -2.359994      1.853560      6.206602
  C      -2.692249      1.189101      4.875917
  C      -3.248862      3.594434      7.723225
  C      -2.865218      4.842568      6.949580
  N      -3.759943      5.006551      5.804718
  H      -1.740124      0.958113      4.363362
  H      -3.199274      0.218058      5.046875
  H      -1.628729      2.653832      6.026140
  H      -1.920976      1.136411      6.921959
  H      -2.932280      5.718506      7.621149
  H      -1.808131      4.783890      6.627993
  H      -4.157323      3.794835      8.306258
  H      -2.453730      3.283049      8.421881
  H      -6.639056      1.287401      7.605470
  H      -6.052832      2.895527      8.041985
  H      -4.446003      0.579727      6.826379
  H      -4.182785      1.293710      8.444350
  C      -3.322126      1.903580      2.629007
  C      -3.921490      0.607875      2.047366
  C      -5.345803      0.585574      1.586432
  N      -5.968736      1.723619      1.238032
  C      -7.227604      1.754503      0.686823
  N      -7.908413      0.690882      0.392409
  C      -7.348789     -0.521112      0.715619
  C      -8.063569     -1.693498      0.403814
  C      -7.538316     -2.929687      0.731907
  C      -6.290381     -3.031768      1.383096
  C      -5.561698     -1.900685      1.691352
  C      -6.067226     -0.619443      1.359836
  C      -3.697113      6.335070      5.203404
  C      -2.360836      6.697275      4.514212
  C      -2.131163      5.904712      3.258106
  N      -2.980941      6.151011      2.264603
  C      -2.822416      5.456612      1.111055
  N      -1.904519      4.547730      0.836850
  C      -1.014765      4.277901      1.837774
  C      -0.002923      3.310379      1.613232
  C       0.895862      3.000419      2.612195
  C       0.827463      3.650964      3.867192
  C      -0.139581      4.605342      4.107439
  C      -1.089350      4.937808      3.107424
  C      -7.297120      1.967940      5.271734
  C      -7.094281      0.484457      4.937890
  C      -8.235286     -0.150565      4.189688
  N      -9.095588      0.652213      3.577064
  C     -10.131727      0.070853      2.910178
  N     -10.402106     -1.214203      2.810775
  C      -9.528107     -2.063584      3.431190
  C      -9.756591     -3.459444      3.361561
  C      -8.875504     -4.335565      3.961853
  C      -7.735556     -3.854211      4.647294
  C      -7.494027     -2.498026      4.735811
  C      -8.385988     -1.573270      4.137374
  H      -3.693140      2.785476      2.089837
  H      -2.240786      1.868816      2.406224
  H      -3.772455     -0.217620      2.756659
  H      -3.330455      0.326754      1.154895
  H      -7.623789      2.754035      0.500698
  H      -9.035177     -1.590307     -0.078618
  H      -8.096129     -3.835627      0.493736
  H      -5.899789     -4.015201      1.645885
  H      -4.597320     -1.998400      2.188210
  H      -4.501185      6.427187      4.462316
  H      -3.884551      7.089260      5.991376
  H      -2.436253      7.755517      4.220940
  H      -1.524233      6.615045      5.218390
  H      -3.544270      5.686088      0.320772
  H       0.040981      2.833005      0.633042
  H       1.675169      2.257773      2.432981
  H       1.555001      3.405583      4.642361
  H      -0.161702      5.116880      5.069707
  H      -8.200061      2.080992      5.899955
  H      -7.493799      2.532236      4.352737
  H      -6.169285      0.384113      4.339450
  H      -6.913366     -0.086199      5.861849
  H     -10.814332      0.762285      2.407139
  H     -10.640265     -3.808989      2.825876
  H      -9.058261     -5.410481      3.914111
  H      -7.049561     -4.563134      5.113301
  H      -6.613281     -2.137098      5.268138
  N      -5.484365      4.086372      3.435111
  N      -5.943213      4.341263      2.401963
  H      -5.572876      2.662229      1.488571
89
Coordinates from ORCA-job orca E -6140.486961652017
  N      -3.507201      2.099860      4.073077
  Mo     -4.635136      3.410999      5.042396
  N      -6.133517      2.544564      5.980777
  C      -5.900239      2.080520      7.350769
  C      -4.481807      1.527975      7.432748
  N      -3.564874      2.509250      6.789595
  C      -2.349239      1.873378      6.217867
  C      -2.683245      1.202597      4.890846
  C      -3.238927      3.619401      7.726462
  C      -2.861357      4.863062      6.943294
  N      -3.763241      5.018641      5.802971
  H      -1.731899      0.971522      4.376840
  H      -3.187530      0.230963      5.066962
  H      -1.621656      2.675752      6.031652
  H      -1.905314      1.161037      6.935026
  H      -2.927500      5.741265      7.611820
  H      -1.805846      4.805638      6.615336
  H      -4.145550      3.821698      8.311940
  H      -2.440584      3.314450      8.424495
  H      -6.620847      1.297385      7.636167
  H      -6.040156      2.908076      8.068005
  H      -4.427288      0.594466      6.856073
  H      -4.160115      1.320566      8.468137
  C      -3.315246      1.911666      2.642953
  C      -3.908145      0.614757      2.057910
  C      -5.326845      0.588591      1.581775
  N      -5.959759      1.727312      1.255178
  C      -7.216974      1.755978      0.700666
  N      -7.888105      0.692212      0.385524
  C      -7.318478     -0.520604      0.688585
  C      -8.025543     -1.693731      0.361286
  C      -7.490128     -2.930703      0.668643
  C      -6.237751     -3.033505      1.311617
  C      -5.516924     -1.901768      1.635310
  C      -6.034996     -0.619215      1.328619
  C      -3.701341      6.343323      5.192555
  C      -2.362955      6.698015      4.504506
  C      -2.142361      5.916710      3.240110
  N      -2.963943      6.210837      2.236662
  C      -2.809223      5.531744      1.073720
  N      -1.922855      4.591678      0.801226
  C      -1.063873      4.269905      1.813922
  C      -0.091608      3.261936      1.593257
  C       0.773162      2.898149      2.604135
  C       0.707079      3.530707      3.868372
  C      -0.222755      4.522121      4.106121
  C      -1.134648      4.913365      3.092252
  C      -7.290567      1.968999      5.304208
  C      -7.089019      0.483251      4.977752
  C      -8.227783     -0.148612      4.223284
  N      -9.070970      0.658248      3.592971
  C     -10.096015      0.082433      2.905430
  N     -10.369034     -1.201349      2.797149
  C      -9.511453     -2.055270      3.434209
  C      -9.738779     -3.450392      3.348759
  C      -8.870944     -4.331420      3.960989
  C      -7.748359     -3.855413      4.678046
  C      -7.508264     -2.500100      4.782076
  C      -8.384513     -1.570253      4.168386
  H      -3.685496      2.793992      2.105440
  H      -2.233298      1.878271      2.423263
  H      -3.763728     -0.208277      2.771358
  H      -3.307595      0.331192      1.172868
  H      -7.622154      2.754533      0.528922
  H      -8.999791     -1.590005     -0.115730
  H      -8.043603     -3.837074      0.421703
  H      -5.838114     -4.017783      1.556759
  H      -4.550153     -1.999680      2.127084
  H      -4.505503      6.433292      4.451424
  H      -3.885734      7.102156      5.976571
  H      -2.423036      7.760862      4.223136
  H      -1.527477      6.596668      5.207085
  H      -3.508586      5.799420      0.275290
  H      -0.051799      2.795591      0.607721
  H       1.521928      2.123831      2.428859
  H       1.406295      3.239755      4.653757
  H      -0.245315      5.014140      5.078332
  H      -8.193452      2.086180      5.931578
  H      -7.486115      2.528542      4.382036
  H      -6.161803      0.377980      4.384443
  H      -6.912549     -0.083836      5.904452
  H     -10.765049      0.778089      2.390521
  H     -10.609646     -3.795098      2.789522
  H      -9.050033     -5.405968      3.896600
  H      -7.073241     -4.567574      5.154919
  H      -6.639967     -2.144389      5.337873
  N      -5.495602      4.078944      3.449260
  N      -5.958506      4.326862      2.416393
  H      -5.583075      2.671131      1.494947
89
Coordinates from ORCA-job orca E -6140.487171656105
  N      -3.516957      2.093815      4.051908
  Mo     -4.637366      3.410678      5.020108
  N      -6.151293      2.552903      5.940965
  C      -5.930554      2.088795      7.313331
  C      -4.519560      1.518592      7.403463
  N      -3.586901      2.491086      6.769653
  C      -2.375658      1.842360      6.202159
  C      -2.711154      1.180834      4.870584
  C      -3.253171      3.592370      7.714573
  C      -2.861237      4.836859      6.939804
  N      -3.757785      5.006901      5.797334
  H      -1.760376      0.936730      4.361563
  H      -3.231827      0.216872      5.040332
  H      -1.637386      2.636392      6.022536
  H      -1.944667      1.121959      6.919149
  H      -2.921410      5.712109      7.612711
  H      -1.805177      4.770848      6.615461
  H      -4.159543      3.800159      8.298487
  H      -2.459998      3.275323      8.413033
  H      -6.662217      1.315033      7.596343
  H      -6.064186      2.919618      8.027769
  H      -4.472364      0.586005      6.824720
  H      -4.207269      1.304902      8.440476
  C      -3.316774      1.917239      2.621880
  C      -3.911787      0.628503      2.022772
  C      -5.338897      0.602192      1.572277
  N      -5.969871      1.741745      1.241805
  C      -7.230173      1.773279      0.694204
  N      -7.909645      0.710505      0.394807
  C      -7.345094     -0.502847      0.705668
  C      -8.062323     -1.674053      0.394918
  C      -7.531652     -2.911902      0.707293
  C      -6.273923     -3.017126      1.338857
  C      -5.542984     -1.887284      1.646522
  C      -6.056229     -0.603753      1.335654
  C      -3.690160      6.336974      5.200145
  C      -2.349425      6.698434      4.519339
  C      -2.117253      5.916082      3.257890
  N      -2.949498      6.187327      2.256634
  C      -2.790370      5.500077      1.099102
  N      -1.885924      4.576929      0.827768
  C      -1.012968      4.282475      1.836609
  C      -0.018473      3.296685      1.615574
  C       0.859856      2.957959      2.623446
  C       0.785111      3.594534      3.885188
  C      -0.166249      4.565274      4.123019
  C      -1.091888      4.930596      3.111967
  C      -7.303411      1.975033      5.258210
  C      -7.102146      0.485111      4.952882
  C      -8.245044     -0.163316      4.219202
  N      -9.110535      0.629014      3.601050
  C     -10.139586      0.035848      2.934285
  N     -10.397044     -1.252078      2.837040
  C      -9.518414     -2.091001      3.465243
  C      -9.730919     -3.489356      3.395491
  C      -8.842691     -4.354972      4.000543
  C      -7.713155     -3.860035      4.693460
  C      -7.486972     -2.501226      4.781538
  C      -8.384910     -1.587054      4.175934
  H      -3.681446      2.805214      2.088851
  H      -2.233930      1.880772      2.407622
  H      -3.743472     -0.209886      2.712068
  H      -3.326566      0.375440      1.118004
  H      -7.632019      2.772483      0.518737
  H      -9.040019     -1.568409     -0.074609
  H      -8.092748     -3.816750      0.472284
  H      -5.877698     -4.001848      1.587710
  H      -4.571892     -1.987941      2.128981
  H      -4.490992      6.434033      4.456178
  H      -3.878573      7.089107      5.989667
  H      -2.414890      7.760270      4.236114
  H      -1.517165      6.603567      5.226911
  H      -3.498550      5.748962      0.302401
  H       0.025951      2.826571      0.632060
  H       1.625888      2.200817      2.447667
  H       1.495457      3.324424      4.668074
  H      -0.194297      5.062527      5.092496
  H      -8.211153      2.101540      5.876579
  H      -7.489715      2.525056      4.328357
  H      -6.178821      0.371840      4.355040
  H      -6.917996     -0.067294      5.887272
  H     -10.824634      0.719443      2.424148
  H     -10.607255     -3.849044      2.854528
  H      -9.010868     -5.431947      3.949124
  H      -7.021539     -4.560357      5.164188
  H      -6.613230     -2.130309      5.318536
  N      -5.473648      4.101293      3.421630
  N      -5.923839      4.367135      2.388653
  H      -5.566048      2.670749      1.473853
89
Coordinates from ORCA-job orca E -6140.487188784286
  N      -3.509645      2.086998      4.058557
  Mo     -4.637312      3.400298      5.023109
  N      -6.145677      2.539518      5.950720
  C      -5.920949      2.075473      7.322514
  C      -4.506379      1.514391      7.412743
  N      -3.579906      2.490065      6.774478
  C      -2.366126      1.844957      6.208064
  C      -2.701713      1.178085      4.879542
  C      -3.250152      3.596601      7.715106
  C      -2.862631      4.839117      6.934989
  N      -3.760707      5.000899      5.792457
  H      -1.751696      0.931713      4.370266
  H      -3.222397      0.215036      5.053979
  H      -1.631412      2.641497      6.025254
  H      -1.931619      1.128504      6.926862
  H      -2.924926      5.717594      7.603459
  H      -1.806697      4.775245      6.609871
  H      -4.157803      3.803749      8.297262
  H      -2.456519      3.285332      8.415586
  H      -6.647766      1.297249      7.605780
  H      -6.058951      2.905351      8.037065
  H      -4.454005      0.579777      6.837816
  H      -4.191312      1.306728      8.450159
  C      -3.305400      1.908899      2.629285
  C      -3.891804      0.614482      2.034260
  C      -5.319131      0.585356      1.586815
  N      -5.943105      1.725482      1.244216
  C      -7.203879      1.759636      0.698741
  N      -7.891232      0.697631      0.414005
  C      -7.334438     -0.515950      0.738690
  C      -8.059879     -1.685812      0.442734
  C      -7.537193     -2.923621      0.769088
  C      -6.279814     -3.029870      1.400919
  C      -5.540784     -1.901458      1.694250
  C      -6.044979     -0.618339      1.367604
  C      -3.703356      6.330191      5.192824
  C      -2.363827      6.696416      4.512202
  C      -2.130146      5.915570      3.249862
  N      -2.962626      6.184956      2.248234
  C      -2.799546      5.499897      1.089849
  N      -1.890071      4.581641      0.817576
  C      -1.016158      4.290289      1.826382
  C      -0.014559      3.311751      1.603830
  C       0.864543      2.975844      2.611874
  C       0.784227      3.608821      3.875108
  C      -0.172774      4.573643      4.113855
  C      -1.099752      4.935671      3.102795
  C      -7.305119      1.970577      5.271750
  C      -7.105358      0.486242      4.939421
  C      -8.254830     -0.151770      4.206945
  N      -9.127122      0.649576      3.610139
  C     -10.164251      0.066300      2.947235
  N     -10.422228     -1.220161      2.833070
  C      -9.536170     -2.068103      3.438147
  C      -9.749197     -3.465286      3.349438
  C      -8.854835     -4.339770      3.932255
  C      -7.718388     -3.855054      4.621105
  C      -7.491690     -2.497609      4.727787
  C      -8.395419     -1.574643      4.144660
  H      -3.675073      2.792926      2.092559
  H      -2.221851      1.878678      2.416500
  H      -3.716249     -0.222220      2.723404
  H      -3.306944      0.365852      1.127762
  H      -7.599256      2.759218      0.511002
  H      -9.037305     -1.579411     -0.027115
  H      -8.104766     -3.827292      0.545637
  H      -5.890470     -4.014149      1.662012
  H      -4.569979     -2.003172      2.177283
  H      -4.504020      6.419620      4.447698
  H      -3.897893      7.082867      5.980295
  H      -2.431718      7.758490      4.230973
  H      -1.530969      6.601531      5.219279
  H      -3.507220      5.747782      0.292407
  H       0.033917      2.845175      0.618733
  H       1.635772      2.224264      2.434957
  H       1.495523      3.341490      4.658103
  H      -0.204599      5.069519      5.083965
  H      -8.206492      2.087913      5.901028
  H      -7.500826      2.533425      4.351494
  H      -6.190302      0.387831      4.326577
  H      -6.907441     -0.082089      5.861206
  H     -10.856194      0.757090      2.456211
  H     -10.631392     -3.816957      2.812751
  H      -9.023804     -5.415871      3.866630
  H      -7.022207     -4.562216      5.074558
  H      -6.612725     -2.134934      5.261896
  N      -5.482773      4.087382      3.426604
  N      -5.940868      4.360437      2.399235
  H      -5.540470      2.655634      1.471569
89
Coordinates from ORCA-job orca E -6140.487260991649
  N      -3.508284      2.080416      4.065520
  Mo     -4.636541      3.397410      5.022490
  N      -6.157997      2.545285      5.935857
  C      -5.948431      2.088005      7.312595
  C      -4.540165      1.513310      7.415808
  N      -3.599203      2.478525      6.782591
  C      -2.388352      1.820241      6.224955
  C      -2.719627      1.159414      4.892275
  C      -3.262954      3.581529      7.724755
  C      -2.861580      4.820772      6.946161
  N      -3.755033      4.991179      5.801265
  H      -1.767709      0.903286      4.391553
  H      -3.254370      0.202852      5.058543
  H      -1.643443      2.608702      6.048736
  H      -1.967793      1.098403      6.946636
  H      -2.918204      5.699290      7.615059
  H      -1.805425      4.746995      6.624396
  H      -4.170287      3.796822      8.304396
  H      -2.474232      3.262752      8.427459
  H      -6.684903      1.318709      7.595164
  H      -6.083738      2.923506      8.020991
  H      -4.492735      0.576893      6.843410
  H      -4.235491      1.304942      8.456192
  C      -3.279234      1.916600      2.638311
  C      -3.857365      0.631336      2.016235
  C      -5.286708      0.601621      1.576388
  N      -5.907551      1.742469      1.229996
  C      -7.170411      1.778954      0.690253
  N      -7.862557      0.718261      0.412212
  C      -7.307533     -0.496074      0.737535
  C      -8.034175     -1.664667      0.440296
  C      -7.511036     -2.903639      0.761272
  C      -6.252931     -3.012161      1.391235
  C      -5.512979     -1.884846      1.686642
  C      -6.016138     -0.600684      1.362579
  C      -3.692112      6.323605      5.208591
  C      -2.353611      6.688272      4.524702
  C      -2.132808      5.922013      3.251157
  N      -2.965640      6.214731      2.256446
  C      -2.811749      5.547406      1.086568
  N      -1.911484      4.625575      0.796787
  C      -1.037725      4.309638      1.798347
  C      -0.045053      3.326652      1.556348
  C       0.833590      2.966018      2.556170
  C       0.762005      3.578212      3.830100
  C      -0.185295      4.547865      4.087569
  C      -1.111802      4.934961      3.085400
  C      -7.309958      1.972270      5.247278
  C      -7.110427      0.483164      4.936181
  C      -8.254108     -0.162688      4.201836
  N      -9.122161      0.631773      3.589883
  C     -10.156066      0.040686      2.929018
  N     -10.417233     -1.246849      2.833998
  C      -9.536506     -2.087566      3.456754
  C      -9.755715     -3.485313      3.393800
  C      -8.868836     -4.352563      3.998621
  C      -7.733404     -3.859907      4.683495
  C      -7.500733     -2.501745      4.764989
  C      -8.397191     -1.585945      4.159719
  H      -3.636934      2.807423      2.104931
  H      -2.192042      1.885077      2.444952
  H      -3.669121     -0.219922      2.683317
  H      -3.275085      0.412893      1.100047
  H      -7.562637      2.778814      0.497175
  H      -9.011712     -1.556640     -0.028907
  H      -8.078570     -3.806371      0.534574
  H      -5.862680     -3.997415      1.647264
  H      -4.540248     -1.988817      2.165351
  H      -4.494959      6.422079      4.467017
  H      -3.880217      7.072598      6.001137
  H      -2.414606      7.754108      4.256410
  H      -1.517656      6.579005      5.226072
  H      -3.520337      5.813241      0.295740
  H      -0.003891      2.875954      0.563560
  H       1.597799      2.210885      2.364575
  H       1.472460      3.290914      4.606754
  H      -0.210471      5.026612      5.066304
  H      -8.219997      2.100148      5.861768
  H      -7.490002      2.524944      4.317588
  H      -6.188615      0.372169      4.335487
  H      -6.924091     -0.072702      5.867990
  H     -10.847075      0.725568      2.428494
  H     -10.637679     -3.843036      2.860730
  H      -9.043749     -5.428966      3.954801
  H      -7.043892     -4.561327      5.155680
  H      -6.624525     -2.132630      5.299324
  N      -5.468601      4.096008      3.425316
  N      -5.923348      4.382104      2.399762
  H      -5.503564      2.675023      1.461070
89
Coordinates from ORCA-job orca E -6140.487303693476
  N      -3.512289      2.084966      4.063664
  Mo     -4.641642      3.399747      5.021628
  N      -6.160033      2.547730      5.939833
  C      -5.947742      2.092505      7.316611
  C      -4.538943      1.518256      7.417228
  N      -3.599891      2.482993      6.781107
  C      -2.389768      1.824784      6.221477
  C      -2.723268      1.163373      4.889501
  C      -3.262935      3.587519      7.720623
  C      -2.862634      4.825354      6.939147
  N      -3.758117      4.994260      5.795647
  H      -1.772225      0.906529      4.387512
  H      -3.258971      0.207516      5.056286
  H      -1.645338      2.613207      6.043006
  H      -1.967859      1.103607      6.942998
  H      -2.917935      5.704395      7.607351
  H      -1.807036      4.750370      6.615319
  H      -4.169322      3.803880      8.301468
  H      -2.473005      3.270232      8.422712
  H      -6.683273      1.322698      7.600551
  H      -6.082714      2.927830      8.025433
  H      -4.492766      0.581248      6.845649
  H      -4.232214      1.311142      8.457225
  C      -3.285206      1.924208      2.636009
  C      -3.865528      0.641165      2.010876
  C      -5.295843      0.609968      1.573271
  N      -5.926501      1.750690      1.243939
  C      -7.190987      1.783659      0.707787
  N      -7.877586      0.721480      0.421180
  C      -7.313546     -0.492388      0.732324
  C      -8.037338     -1.662717      0.434020
  C      -7.506715     -2.901075      0.744966
  C      -6.242467     -3.007450      1.363045
  C      -5.505493     -1.878493      1.659279
  C      -6.018195     -0.594662      1.349196
  C      -3.692330      6.324596      5.198937
  C      -2.352129      6.684826      4.516559
  C      -2.128135      5.913993      3.246435
  N      -2.956790      6.204390      2.247899
  C      -2.799126      5.533500      1.080556
  N      -1.895578      4.613499      0.795445
  C      -1.025406      4.300226      1.801101
  C      -0.029443      3.319508      1.563826
  C       0.842981      2.958514      2.569022
  C       0.760288      3.566755      3.844123
  C      -0.189955      4.534864      4.096948
  C      -1.107958      4.924576      3.088137
  C      -7.313801      1.973341      5.255925
  C      -7.116438      0.482109      4.953792
  C      -8.260654     -0.165698      4.222191
  N      -9.125661      0.627926      3.604921
  C     -10.153664      0.036314      2.935969
  N     -10.410631     -1.251624      2.834911
  C      -9.532947     -2.091629      3.462823
  C      -9.744261     -3.489923      3.388038
  C      -8.856934     -4.356834      3.992416
  C      -7.730567     -3.863218      4.691429
  C      -7.505356     -2.504560      4.784173
  C      -8.401036     -1.589021      4.177227
  H      -3.643060      2.816582      2.105973
  H      -2.198275      1.891953      2.441924
  H      -3.675769     -0.211253      2.676180
  H      -3.284209      0.425118      1.093724
  H      -7.591576      2.782473      0.527002
  H      -9.019427     -1.556081     -0.025944
  H      -8.073416     -3.805208      0.521028
  H      -5.845966     -3.992270      1.610919
  H      -4.529237     -1.980509      2.131095
  H      -4.494022      6.422170      4.455941
  H      -3.880292      7.076388      5.988790
  H      -2.409142      7.750097      4.244911
  H      -1.518268      6.576077      5.220496
  H      -3.506860      5.794691      0.287421
  H       0.019018      2.870479      0.570657
  H       1.609812      2.205015      2.381525
  H       1.464684      3.277638      4.625616
  H      -0.223723      5.009496      5.077440
  H      -8.222994      2.105596      5.870481
  H      -7.493619      2.521481      4.323465
  H      -6.194291      0.365961      4.354611
  H      -6.930109     -0.068526      5.888784
  H     -10.839948      0.721052      2.428943
  H     -10.618976     -3.848232      2.843551
  H      -9.023356     -5.433751      3.935230
  H      -7.040222     -4.564324      5.162884
  H      -6.634181     -2.134946      5.326295
  N      -5.471411      4.094589      3.424602
  N      -5.922435      4.378451      2.396313
  H      -5.523057      2.679245      1.467276
89
Coordinates from ORCA-job orca E -6140.487341796962
  N      -3.506559      2.078181      4.076405
  Mo     -4.640133      3.395592      5.025631
  N      -6.164106      2.547459      5.938048
  C      -5.959846      2.095784      7.317138
  C      -4.552590      1.519383      7.427050
  N      -3.608303      2.480042      6.792597
  C      -2.397475      1.816783      6.240527
  C      -2.727173      1.153957      4.908498
  C      -3.272221      3.586220      7.730378
  C      -2.865278      4.820751      6.947146
  N      -3.756572      4.989313      5.800331
  H      -1.774992      0.890179      4.412362
  H      -3.269729      0.201939      5.074703
  H      -1.649502      2.602270      6.063918
  H      -1.981732      1.095713      6.965722
  H      -2.920411      5.701570      7.613013
  H      -1.808779      4.741999      6.627179
  H      -4.180471      3.806831      8.306726
  H      -2.486205      3.268836      8.436810
  H      -6.698243      1.328106      7.599434
  H      -6.096993      2.933354      8.022870
  H      -4.505261      0.580334      6.858946
  H      -4.251649      1.315188      8.469313
  C      -3.266588      1.918606      2.651070
  C      -3.845249      0.637979      2.019311
  C      -5.274435      0.611735      1.579069
  N      -5.894443      1.755132      1.238312
  C      -7.155674      1.795163      0.695496
  N      -7.849290      0.736459      0.412866
  C      -7.296645     -0.479761      0.735393
  C      -8.027275     -1.646264      0.439124
  C      -7.508033     -2.886818      0.760474
  C      -6.249170     -2.999186      1.388355
  C      -5.505356     -1.874161      1.682543
  C      -6.005717     -0.588326      1.360676
  C      -3.689576      6.319736      5.203954
  C      -2.351024      6.677707      4.517295
  C      -2.136698      5.913744      3.241311
  N      -2.969752      6.213247      2.249175
  C      -2.820699      5.549499      1.076630
  N      -1.920365      4.629968      0.779948
  C      -1.045567      4.307609      1.778730
  C      -0.052861      3.326658      1.528905
  C       0.822934      2.955185      2.527310
  C       0.746674      3.552546      3.807967
  C      -0.199941      4.520976      4.072855
  C      -1.120801      4.921853      3.071104
  C      -7.315274      1.973427      5.249311
  C      -7.115792      0.482563      4.946722
  C      -8.258994     -0.167125      4.215338
  N      -9.127849      0.625342      3.601918
  C     -10.156930      0.032268      2.935982
  N     -10.411659     -1.256142      2.834652
  C      -9.530425     -2.094893      3.459305
  C      -9.740862     -3.493465      3.386714
  C      -8.851087     -4.359047      3.989459
  C      -7.722397     -3.863772      4.683556
  C      -7.498139     -2.504809      4.774367
  C      -8.396931     -1.590625      4.170028
  H      -3.617249      2.812482      2.118529
  H      -2.177989      1.883134      2.466860
  H      -3.657666     -0.216919      2.681872
  H      -3.261578      0.426248      1.102609
  H      -7.547427      2.795912      0.506406
  H      -9.005294     -1.534947     -0.028338
  H      -8.079541     -3.787878      0.536642
  H      -5.861805     -3.985538      1.644518
  H      -4.532914     -1.980836      2.161157
  H      -4.493303      6.419601      4.463445
  H      -3.873653      7.071370      5.994868
  H      -2.404821      7.744677      4.251837
  H      -1.513916      6.561409      5.216237
  H      -3.532707      5.817157      0.289496
  H      -0.009977      2.885822      0.531811
  H       1.587208      2.201516      2.330314
  H       1.453169      3.254660      4.584257
  H      -0.228703      4.987053      5.057627
  H      -8.226900      2.105226      5.860325
  H      -7.491316      2.521869      4.316322
  H      -6.193728      0.368266      4.346888
  H      -6.927856     -0.067814      5.881553
  H     -10.845847      0.716090      2.431228
  H     -10.617545     -3.852959      2.846183
  H      -9.017735     -5.436155      3.935444
  H      -7.030114     -4.563730      5.153868
  H      -6.625768     -2.133989      5.313733
  N      -5.461003      4.093341      3.425181
  N      -5.907336      4.384343      2.397004
  H      -5.485760      2.682212      1.459953
89
Coordinates from ORCA-job orca E -6140.487342562741
  N      -3.508854      2.073725      4.079442
  Mo     -4.646439      3.388856      5.026154
  N      -6.170337      2.541855      5.939980
  C      -5.967128      2.091328      7.319483
  C      -4.560005      1.514794      7.431539
  N      -3.615004      2.473726      6.795668
  C      -2.404528      1.808462      6.245143
  C      -2.734911      1.146113      4.913142
  C      -3.278434      3.581887      7.730993
  C      -2.869243      4.813824      6.944939
  N      -3.760857      4.981912      5.798188
  H      -1.783578      0.876608      4.418645
  H      -3.283320      0.197639      5.079551
  H      -1.655209      2.592740      6.068985
  H      -1.990738      1.086844      6.970910
  H      -2.921509      5.696508      7.608478
  H      -1.813019      4.732019      6.624237
  H      -4.187141      3.805193      8.305648
  H      -2.493626      3.265609      8.439244
  H      -6.706178      1.324489      7.602320
  H      -6.103719      2.930041      8.023901
  H      -4.512492      0.574373      6.865743
  H      -4.259844      1.312936      8.474480
  C      -3.253124      1.928926      2.655735
  C      -3.818619      0.652098      2.004698
  C      -5.252683      0.614494      1.583496
  N      -5.880710      1.754109      1.243329
  C      -7.148633      1.787538      0.716657
  N      -7.841505      0.724756      0.447014
  C      -7.280264     -0.488005      0.767784
  C      -8.008516     -1.658634      0.482433
  C      -7.480776     -2.896011      0.802524
  C      -6.215679     -3.000938      1.418824
  C      -5.473895     -1.871755      1.702025
  C      -5.982337     -0.589022      1.380035
  C      -3.692073      6.311750      5.200688
  C      -2.352146      6.666443      4.515369
  C      -2.139641      5.907955      3.235665
  N      -2.972459      6.212759      2.244984
  C      -2.821823      5.556840      1.068251
  N      -1.916171      4.644821      0.764233
  C      -1.040972      4.317878      1.761181
  C      -0.042269      3.345051      1.503550
  C       0.832112      2.966781      2.500633
  C       0.747624      3.548263      3.788178
  C      -0.204056      4.509588      4.060383
  C      -1.122084      4.918872      3.059410
  C      -7.323845      1.972222      5.251266
  C      -7.127030      0.482663      4.941517
  C      -8.274254     -0.162240      4.212504
  N      -9.144893      0.634360      3.606818
  C     -10.177687      0.045665      2.942662
  N     -10.434273     -1.241987      2.836151
  C      -9.551089     -2.084730      3.452598
  C      -9.762572     -3.482739      3.372726
  C      -8.870667     -4.352362      3.966501
  C      -7.739055     -3.861671      4.659108
  C      -7.513707     -2.503329      4.756883
  C      -8.414083     -1.585276      4.161026
  H      -3.603634      2.825926      2.127821
  H      -2.162667      1.900410      2.481676
  H      -3.610200     -0.212050      2.648417
  H      -3.242508      0.469112      1.077081
  H      -7.546493      2.785994      0.528325
  H      -8.991696     -1.553145      0.024570
  H      -8.050674     -3.800171      0.587517
  H      -5.822093     -3.984677      1.675485
  H      -4.496809     -1.972811      2.172261
  H      -4.495128      6.412583      4.459575
  H      -3.875476      7.063957      5.991139
  H      -2.401537      7.734775      4.254473
  H      -1.514902      6.543496      5.213067
  H      -3.534725      5.827293      0.282957
  H       0.005424      2.915410      0.501801
  H       1.600668      2.219024      2.297857
  H       1.451835      3.243857      4.564019
  H      -0.239348      4.963943      5.050522
  H      -8.234049      2.103005      5.864514
  H      -7.500520      2.524572      4.320647
  H      -6.208254      0.370536      4.336159
  H      -6.935080     -0.071715      5.873215
  H     -10.868730      0.732681      2.445150
  H     -10.641644     -3.838500      2.833596
  H      -9.037941     -5.429056      3.906438
  H      -7.045047     -4.564646      5.122327
  H      -6.638433     -2.136321      5.294161
  N      -5.467337      4.089794      3.428059
  N      -5.913686      4.390028      2.402605
  H      -5.464537      2.684494      1.458712
89
Coordinates from ORCA-job orca E -6140.487362013812
  N      -3.505827      2.070190      4.091982
  Mo     -4.651053      3.382372      5.032943
  N      -6.172932      2.533170      5.948291
  C      -5.970953      2.085048      7.328562
  C      -4.561610      1.514816      7.444819
  N      -3.618835      2.474779      6.807554
  C      -2.405853      1.811074      6.260872
  C      -2.732777      1.145220      4.929820
  C      -3.287211      3.587561      7.738719
  C      -2.877764      4.816664      6.948267
  N      -3.766796      4.978874      5.798683
  H      -1.780453      0.875005      4.437796
  H      -3.281659      0.197302      5.097150
  H      -1.657820      2.596344      6.084184
  H      -1.992021      1.092031      6.989150
  H      -2.932636      5.702051      7.607937
  H      -1.820644      4.734698      6.630464
  H      -4.198175      3.811906      8.309432
  H      -2.503975      3.276360      8.450979
  H      -6.706851      1.314641      7.610020
  H      -6.113544      2.923465      8.032180
  H      -4.509710      0.572724      6.882223
  H      -4.262664      1.317342      8.488956
  C      -3.244448      1.924460      2.669646
  C      -3.813126      0.648712      2.017897
  C      -5.244456      0.622270      1.587049
  N      -5.858628      1.766950      1.238656
  C      -7.122428      1.811097      0.703500
  N      -7.823661      0.754107      0.431882
  C      -7.276731     -0.463015      0.760578
  C      -8.012375     -1.627746      0.469798
  C      -7.498155     -2.869202      0.795961
  C      -6.240198     -2.984244      1.425066
  C      -5.490975     -1.861199      1.712970
  C      -5.984596     -0.574637      1.382985
  C      -3.696121      6.305797      5.194837
  C      -2.356462      6.655088      4.506468
  C      -2.147603      5.895721      3.226381
  N      -2.985123      6.197745      2.238945
  C      -2.835990      5.543464      1.061049
  N      -1.924780      4.638808      0.751574
  C      -1.043838      4.315620      1.744789
  C      -0.037457      3.352470      1.480582
  C       0.842337      2.977277      2.474140
  C       0.755124      3.551678      3.764652
  C      -0.203433      4.504437      4.042920
  C      -1.125935      4.911603      3.045323
  C      -7.325144      1.962593      5.257915
  C      -7.123574      0.474617      4.943166
  C      -8.266406     -0.171043      4.208130
  N      -9.133966      0.625241      3.597383
  C     -10.164184      0.036417      2.929587
  N     -10.422226     -1.251189      2.825288
  C      -9.542430     -2.093464      3.447086
  C      -9.756297     -3.491377      3.371265
  C      -8.868615     -4.360671      3.971781
  C      -7.738485     -3.869812      4.666720
  C      -7.511152     -2.511568      4.761128
  C      -8.407588     -1.593838      4.158888
  H      -3.590656      2.821886      2.139494
  H      -2.153486      1.892306      2.499989
  H      -3.618555     -0.213414      2.668755
  H      -3.230263      0.456352      1.096732
  H      -7.509177      2.812758      0.509077
  H      -8.990018     -1.514353      0.002090
  H      -8.073291     -3.768748      0.575724
  H      -5.857831     -3.971010      1.687020
  H      -4.518972     -1.969734      2.192051
  H      -4.499795      6.404976      4.454160
  H      -3.877477      7.061634      5.982288
  H      -2.402641      7.723384      4.244692
  H      -1.517910      6.530312      5.202274
  H      -3.555799      5.808153      0.280108
  H       0.011394      2.927269      0.476994
  H       1.616796      2.236981      2.266536
  H       1.462557      3.248701      4.538123
  H      -0.240908      4.953383      5.035465
  H      -8.235712      2.089083      5.871530
  H      -7.503029      2.516883      4.328712
  H      -6.203010      0.367919      4.339460
  H      -6.931432     -0.082402      5.873231
  H     -10.853159      0.723444      2.429162
  H     -10.634386     -3.847150      2.830539
  H      -9.038451     -5.437230      3.915824
  H      -7.047897     -4.572434      5.135549
  H      -6.637706     -2.144305      5.301189
  N      -5.471525      4.078757      3.435038
  N      -5.916233      4.382197      2.409254
  H      -5.445722      2.692010      1.459777
89
Coordinates from ORCA-job orca E -6140.487381507921
  N      -3.509194      2.072033      4.092847
  Mo     -4.649509      3.389480      5.032854
  N      -6.176924      2.545726      5.943535
  C      -5.979176      2.099553      7.325035
  C      -4.573134      1.521690      7.443595
  N      -3.624493      2.477226      6.808354
  C      -2.413529      1.808468      6.263469
  C      -2.740064      1.144474      4.931243
  C      -3.289182      3.587705      7.740831
  C      -2.874875      4.816261      6.952112
  N      -3.762532      4.983331      5.802153
  H      -1.787263      0.872836      4.440845
  H      -3.290791      0.197270      5.096942
  H      -1.661919      2.590765      6.088595
  H      -2.003862      1.087404      6.992126
  H      -2.927292      5.700682      7.613362
  H      -1.817814      4.731156      6.635110
  H      -4.199273      3.814664      8.311877
  H      -2.507133      3.272670      8.452738
  H      -6.719807      1.333996      7.607303
  H      -6.117852      2.940207      8.026833
  H      -4.525206      0.579753      6.880321
  H      -4.277205      1.321938      8.488147
  C      -3.246276      1.927659      2.670733
  C      -3.816486      0.655056      2.014627
  C      -5.248170      0.627750      1.584067
  N      -5.866483      1.771389      1.239744
  C      -7.129699      1.812810      0.702250
  N      -7.826269      0.754397      0.425252
  C      -7.275227     -0.461912      0.749911
  C      -8.007354     -1.628149      0.456166
  C      -7.489720     -2.868806      0.779840
  C      -6.231613     -2.981621      1.409080
  C      -5.486112     -1.856992      1.700522
  C      -5.983841     -0.571085      1.374255
  C      -3.686296      6.310740      5.199841
  C      -2.346542      6.655634      4.509477
  C      -2.143018      5.896848      3.228340
  N      -2.979554      6.205645      2.242130
  C      -2.836052      5.551918      1.063273
  N      -1.933510      4.639075      0.752854
  C      -1.054897      4.307306      1.745328
  C      -0.059758      3.332727      1.480899
  C       0.817235      2.948930      2.473671
  C       0.738676      3.526117      3.763455
  C      -0.209628      4.488989      4.042287
  C      -1.129613      4.904429      3.045782
  C      -7.325611      1.971097      5.251276
  C      -7.124056      0.480467      4.949761
  C      -8.266168     -0.170426      4.218142
  N      -9.138031      0.621608      3.608291
  C     -10.165829      0.027705      2.941089
  N     -10.416759     -1.261144      2.835556
  C      -9.532430     -2.099253      3.456664
  C      -9.738012     -3.498257      3.378613
  C      -8.844460     -4.363183      3.976718
  C      -7.716866     -3.866764      4.671812
  C      -7.497438     -2.507373      4.768120
  C      -8.400054     -1.594027      4.168380
  H      -3.588996      2.827237      2.142241
  H      -2.155151      1.892971      2.502628
  H      -3.620926     -0.209981      2.661443
  H      -3.234380      0.466507      1.092240
  H      -7.520099      2.813939      0.512582
  H      -8.985313     -1.516424     -0.011330
  H      -8.062232     -3.769553      0.557348
  H      -5.846173     -3.967916      1.668337
  H      -4.514165     -1.963670      2.180094
  H      -4.490956      6.414963      4.460960
  H      -3.862288      7.066476      5.988667
  H      -2.389443      7.724273      4.248321
  H      -1.507404      6.527782      5.203892
  H      -3.553953      5.823630      0.282921
  H      -0.016926      2.905551      0.477895
  H       1.583271      2.200019      2.265732
  H       1.444237      3.216631      4.536043
  H      -0.241074      4.938759      5.034625
  H      -8.239275      2.102567      5.859276
  H      -7.498610      2.519239      4.317528
  H      -6.201536      0.366612      4.350338
  H      -6.935688     -0.068689      5.885331
  H     -10.857033      0.711335      2.439189
  H     -10.613846     -3.858483      2.837176
  H      -9.007219     -5.440638      3.918088
  H      -7.021365     -4.566089      5.138306
  H      -6.625456     -2.135620      5.307465
  N      -5.463144      4.088551      3.431834
  N      -5.902771      4.390249      2.403534
  H      -5.453321      2.695593      1.456665
89
Coordinates from ORCA-job orca E -6140.487388137252
  N      -3.511690      2.070732      4.092335
  Mo     -4.650860      3.388316      5.033512
  N      -6.177736      2.544732      5.945298
  C      -5.978792      2.098184      7.326548
  C      -4.572659      1.520232      7.443852
  N      -3.624349      2.475707      6.807863
  C      -2.413942      1.806792      6.261991
  C      -2.741356      1.143285      4.929684
  C      -3.287946      3.586162      7.740069
  C      -2.874058      4.814637      6.950976
  N      -3.762893      4.982128      5.801980
  H      -1.788846      0.872348      4.438352
  H      -3.291393      0.195707      5.095469
  H      -1.662226      2.589014      6.087210
  H      -2.003972      1.085314      6.990070
  H      -2.925414      5.699121      7.612228
  H      -1.817303      4.729299      6.632785
  H      -4.197531      3.813298      8.311844
  H      -2.505367      3.270989      8.451315
  H      -6.719254      1.332712      7.609459
  H      -6.116669      2.938869      8.028428
  H      -4.525227      0.578330      6.880484
  H      -4.275833      1.320338      8.488129
  C      -3.247931      1.929521      2.670161
  C      -3.814679      0.657081      2.010895
  C      -5.247268      0.626675      1.583537
  N      -5.868501      1.769308      1.241084
  C      -7.133807      1.808572      0.708268
  N      -7.829351      0.748932      0.433473
  C      -7.274917     -0.466519      0.755553
  C      -8.005700     -1.633968      0.463401
  C      -7.484579     -2.873855      0.784502
  C      -6.224283     -2.984635      1.409614
  C      -5.480114     -1.858736      1.699569
  C      -5.981262     -0.573584      1.375607
  C      -3.686902      6.309565      5.199810
  C      -2.347177      6.654592      4.509534
  C      -2.142916      5.895865      3.228421
  N      -2.980536      6.202825      2.242516
  C      -2.835676      5.549758      1.063453
  N      -1.930853      4.639338      0.752468
  C      -1.051129      4.309553      1.744585
  C      -0.053180      3.338010      1.479578
  C       0.825108      2.956306      2.472024
  C       0.744992      3.532502      3.762156
  C      -0.205955      4.492608      4.041505
  C      -1.127109      4.906078      3.045233
  C      -7.326967      1.970723      5.253283
  C      -7.126468      0.480152      4.950932
  C      -8.268253     -0.168906      4.217101
  N      -9.137288      0.624369      3.604872
  C     -10.164431      0.031884      2.935316
  N     -10.417223     -1.256568      2.829664
  C      -9.535715     -2.095937      3.453066
  C      -9.743191     -3.494644      3.374740
  C      -8.852486     -4.360799      3.975330
  C      -7.726042     -3.865958      4.673399
  C      -7.504741     -2.506874      4.769865
  C      -8.404287     -1.592334      4.167366
  H      -3.592663      2.829380      2.143364
  H      -2.156724      1.897952      2.502107
  H      -3.615072     -0.209433      2.654404
  H      -3.233689      0.473741      1.086777
  H      -7.526543      2.809125      0.520323
  H      -8.985453     -1.523892     -0.000713
  H      -8.056138     -3.775533      0.563413
  H      -5.836308     -3.970325      1.667331
  H      -4.506653     -1.963832      2.176397
  H      -4.491649      6.413851      4.461024
  H      -3.862824      7.065136      5.988795
  H      -2.390544      7.723178      4.248190
  H      -1.508095      6.527217      5.204084
  H      -3.554042      5.820440      0.283186
  H      -0.009300      2.911306      0.476418
  H       1.593168      2.209609      2.263580
  H       1.451611      3.224790      4.534481
  H      -0.238575      4.942141      5.033932
  H      -8.240338      2.102434      5.861681
  H      -7.500166      2.519384      4.319863
  H      -6.203332      0.365830      4.352631
  H      -6.940296     -0.069968      5.886365
  H     -10.853466      0.716433      2.431695
  H     -10.618116     -3.853730      2.831085
  H      -9.016644     -5.438026      3.916363
  H      -7.032866     -4.566301      5.141827
  H      -6.633575     -2.136235      5.311305
  N      -5.467368      4.087526      3.433520
  N      -5.908583      4.389904      2.406198
  H      -5.454806      2.695163      1.456417
89
Coordinates from ORCA-job orca E -6140.487392249695
  N      -3.515451      2.070265      4.091633
  Mo     -4.654572      3.387565      5.033232
  N      -6.181373      2.543998      5.945275
  C      -5.982212      2.097104      7.326351
  C      -4.576187      1.518802      7.443392
  N      -3.627702      2.473856      6.807094
  C      -2.417716      1.804318      6.261091
  C      -2.745474      1.141962      4.928216
  C      -3.290598      3.584433      7.739008
  C      -2.875895      4.812295      6.949554
  N      -3.765343      4.980842      5.801111
  H      -1.793184      0.870751      4.436648
  H      -3.295958      0.194595      5.093604
  H      -1.665258      2.586097      6.087555
  H      -2.008552      1.081838      6.988637
  H      -2.925553      5.697016      7.610629
  H      -1.819413      4.725904      6.630471
  H      -4.200145      3.812367      8.310551
  H      -2.508313      3.269073      8.450483
  H      -6.722863      1.331917      7.609473
  H      -6.119390      2.937931      8.028163
  H      -4.528967      0.576809      6.880150
  H      -4.279185      1.318946      8.487628
  C      -3.247384      1.935655      2.669844
  C      -3.809693      0.665118      2.003251
  C      -5.243679      0.631573      1.581027
  N      -5.866915      1.773078      1.238246
  C      -7.134283      1.810351      0.710196
  N      -7.829578      0.749559      0.439404
  C      -7.272939     -0.464880      0.761511
  C      -8.003026     -1.633478      0.472399
  C      -7.479786     -2.872431      0.793723
  C      -6.218120     -2.981049      1.416352
  C      -5.474446     -1.853985      1.703045
  C      -5.977406     -0.569770      1.378134
  C      -3.686982      6.307861      5.198382
  C      -2.345822      6.650034      4.509707
  C      -2.141093      5.892483      3.227835
  N      -2.977259      6.201389      2.241259
  C      -2.829815      5.551490      1.060769
  N      -1.923356      4.643006      0.748732
  C      -1.045421      4.310942      1.741640
  C      -0.045912      3.341199      1.475920
  C       0.830189      2.956874      2.469291
  C       0.746100      3.528281      3.761320
  C      -0.206163      4.486848      4.041361
  C      -1.124694      4.903487      3.043915
  C      -7.330063      1.969465      5.252601
  C      -7.128584      0.479304      4.949043
  C      -8.270767     -0.170177      4.216043
  N      -9.141449      0.622550      3.605523
  C     -10.169609      0.029284      2.938040
  N     -10.422084     -1.259275      2.833458
  C      -9.538893     -2.098082      3.455251
  C      -9.746063     -3.496892      3.378132
  C      -8.853899     -4.362415      3.977506
  C      -7.726215     -3.866803      4.673013
  C      -7.505174     -2.507569      4.768221
  C      -8.406153     -1.593735      4.166855
  H      -3.592672      2.837039      2.145885
  H      -2.155709      1.907081      2.504266
  H      -3.604239     -0.204779      2.640217
  H      -3.230619      0.491344      1.076133
  H      -7.528334      2.810359      0.522041
  H      -8.984020     -1.525115      0.010515
  H      -8.050796     -3.774968      0.574846
  H      -5.828671     -3.965981      1.674738
  H      -4.499907     -1.957484      2.177992
  H      -4.490854      6.413215      4.458798
  H      -3.862262      7.063955      5.986998
  H      -2.386595      7.718980      4.249218
  H      -1.507673      6.520211      5.204864
  H      -3.546570      5.824255      0.279767
  H       0.000863      2.917816      0.471481
  H       1.599297      2.211435      2.260203
  H       1.450793      3.218310      4.534495
  H      -0.242142      4.933053      5.035200
  H      -8.243406      2.099925      5.861336
  H      -7.504014      2.518745      4.319685
  H      -6.206107      0.366125      4.349548
  H      -6.941586     -0.071258      5.884048
  H     -10.860599      0.713330      2.436414
  H     -10.622017     -3.856640      2.836574
  H      -9.017909     -5.439734      3.919626
  H      -7.031977     -4.566690      5.140549
  H      -6.633112     -2.136273      5.307755
  N      -5.472759      4.087987      3.434150
  N      -5.913598      4.392733      2.407468
  H      -5.452251      2.699460      1.452096
89
Coordinates from ORCA-job orca E -6140.487395863143
  N      -3.518288      2.066193      4.097790
  Mo     -4.656757      3.385776      5.037081
  N      -6.185822      2.544951      5.947776
  C      -5.988784      2.099522      7.329607
  C      -4.583819      1.519021      7.448879
  N      -3.632788      2.471485      6.812356
  C      -2.423659      1.798612      6.268610
  C      -2.750794      1.136822      4.935236
  C      -3.294056      3.582628      7.743028
  C      -2.876156      4.808568      6.952331
  N      -3.765278      4.978479      5.803767
  H      -1.798274      0.864224      4.444923
  H      -3.302828      0.190281      5.099948
  H      -1.668640      2.578300      6.096802
  H      -2.017799      1.075029      6.996922
  H      -2.923557      5.693992      7.612663
  H      -1.819815      4.719483      6.633303
  H      -4.203603      3.813279      8.313500
  H      -2.513010      3.266697      8.455610
  H      -6.731080      1.336105      7.613199
  H      -6.125029      2.941693      8.029955
  H      -4.537514      0.576231      6.886894
  H      -4.288308      1.319912      8.493685
  C      -3.242889      1.938268      2.677035
  C      -3.799767      0.670215      2.001108
  C      -5.234204      0.634858      1.580660
  N      -5.857437      1.775846      1.235891
  C      -7.125808      1.812224      0.709950
  N      -7.821418      0.750901      0.442372
  C      -7.264395     -0.463054      0.765750
  C      -7.994499     -1.632138      0.478817
  C      -7.470928     -2.870617      0.801631
  C      -6.209098     -2.978169      1.423972
  C      -5.465349     -1.850585      1.708494
  C      -5.968302     -0.566918      1.381461
  C      -3.684453      6.305163      5.200770
  C      -2.343742      6.643631      4.509759
  C      -2.143942      5.888916      3.225347
  N      -2.983251      6.200904      2.242375
  C      -2.838509      5.555908      1.058858
  N      -1.931849      4.649817      0.740443
  C      -1.051218      4.314143      1.729727
  C      -0.051450      3.346508      1.457477
  C       0.826735      2.957933      2.447383
  C       0.744386      3.522585      3.742486
  C      -0.207827      4.479341      4.028824
  C      -1.127978      4.900752      3.034864
  C      -7.332955      1.969786      5.252967
  C      -7.131354      0.479379      4.951148
  C      -8.271953     -0.169612      4.215153
  N      -9.140221      0.623310      3.601605
  C     -10.166570      0.030257      2.931020
  N     -10.419442     -1.258163      2.826319
  C      -9.538653     -2.097213      3.451231
  C      -9.746252     -3.495936      3.374043
  C      -8.856397     -4.361613      3.976631
  C      -7.730731     -3.866284      4.675594
  C      -7.509276     -2.507106      4.770807
  C      -8.407897     -1.593174      4.166095
  H      -3.587300      2.841472      2.155585
  H      -2.150413      1.912444      2.516303
  H      -3.591041     -0.203321      2.631857
  H      -3.220185      0.505936      1.072704
  H      -7.519871      2.812067      0.520898
  H      -8.975842     -1.524623      0.017480
  H      -8.041990     -3.773504      0.584363
  H      -5.819686     -3.962652      1.684089
  H      -4.490756     -1.953223      2.183517
  H      -4.489491      6.412937      4.462783
  H      -3.855972      7.061619      5.989869
  H      -2.381385      7.713274      4.251496
  H      -1.504403      6.509635      5.202667
  H      -3.558061      5.830888      0.281208
  H      -0.006320      2.927670      0.451063
  H       1.595807      2.213907      2.233201
  H       1.450347      3.208956      4.513022
  H      -0.242928      4.920480      5.024978
  H      -8.247601      2.100964      5.859611
  H      -7.504947      2.518451      4.319320
  H      -6.207201      0.364966      4.354518
  H      -6.948229     -0.070646      5.887234
  H     -10.855497      0.714475      2.426790
  H     -10.620566     -3.855626      2.829807
  H      -9.020707     -5.438874      3.918606
  H      -7.038374     -4.566396      5.145585
  H      -6.638716     -2.135802      5.312768
  N      -5.474370      4.086387      3.436867
  N      -5.912676      4.393235      2.409879
  H      -5.442261      2.701970      1.447803
89
Coordinates from ORCA-job orca E -6140.487399593426
  N      -3.522688      2.064073      4.101658
  Mo     -4.659429      3.386510      5.038976
  N      -6.191601      2.549140      5.947601
  C      -5.997237      2.104985      7.330193
  C      -4.594041      1.520731      7.451616
  N      -3.639580      2.469969      6.815392
  C      -2.431852      1.792742      6.273862
  C      -2.758799      1.132394      4.939625
  C      -3.298381      3.580741      7.745670
  C      -2.876170      4.804762      6.954440
  N      -3.764804      4.977393      5.805815
  H      -1.806224      0.857754      4.450584
  H      -3.313368      0.187141      5.102988
  H      -1.673411      2.569565      6.104244
  H      -2.030317      1.067373      7.002805
  H      -2.920381      5.690602      7.614453
  H      -1.820147      4.711899      6.635378
  H      -4.207722      3.814584      8.315179
  H      -2.518883      3.263021      8.459151
  H      -6.741976      1.344066      7.614073
  H      -6.131757      2.948557      8.029165
  H      -4.549513      0.577337      6.890494
  H      -4.300273      1.321736      8.496935
  C      -3.240610      1.942541      2.681781
  C      -3.793793      0.677522      1.997007
  C      -5.228721      0.641152      1.578188
  N      -5.851626      1.781789      1.231391
  C      -7.119992      1.817520      0.705280
  N      -7.815571      0.755910      0.439147
  C      -7.258972     -0.457675      0.764854
  C      -7.988981     -1.627023      0.478913
  C      -7.465990     -2.865160      0.804085
  C      -6.205025     -2.971965      1.428235
  C      -5.461192     -1.844092      1.711526
  C      -5.963269     -0.560809      1.381656
  C      -3.680323      6.303887      5.202932
  C      -2.339072      6.637862      4.510930
  C      -2.143524      5.885550      3.224367
  N      -2.983488      6.202277      2.243446
  C      -2.841028      5.561241      1.057505
  N      -1.935759      4.655323      0.734623
  C      -1.055076      4.314141      1.721952
  C      -0.057323      3.345624      1.445465
  C       0.819985      2.950783      2.433667
  C       0.738743      3.509659      3.731333
  C      -0.211086      4.467544      4.021750
  C      -1.130051      4.895670      3.029505
  C      -7.336439      1.971943      5.250718
  C      -7.132534      0.481339      4.951635
  C      -8.271825     -0.170527      4.216034
  N      -9.142075      0.619930      3.602280
  C     -10.167456      0.024004      2.932665
  N     -10.417550     -1.265023      2.829244
  C      -9.534659     -2.101631      3.454533
  C      -9.739338     -3.500857      3.378890
  C      -8.847260     -4.364004      3.981842
  C      -7.722148     -3.865580      4.679493
  C      -7.503584     -2.505832      4.773250
  C      -8.404652     -1.594470      4.168326
  H      -3.583363      2.847819      2.162852
  H      -2.147392      1.918155      2.525765
  H      -3.581660     -0.199927      2.620992
  H      -3.214309      0.522818      1.066968
  H      -7.513700      2.817186      0.514538
  H      -8.969768     -1.520084      0.016255
  H      -8.036907     -3.768255      0.587321
  H      -5.816079     -3.956133      1.690261
  H      -4.487016     -1.946351      2.187481
  H      -4.485682      6.414393      4.465677
  H      -3.848680      7.060752      5.992320
  H      -2.372159      7.708244      4.254954
  H      -1.499530      6.498717      5.202516
  H      -3.560920      5.840271      0.281609
  H      -0.013054      2.930854      0.437326
  H       1.587346      2.205962      2.216137
  H       1.443710      3.190762      4.500613
  H      -0.245754      4.904259      5.019856
  H      -8.252498      2.102937      5.855302
  H      -7.507087      2.519197      4.316016
  H      -6.207735      0.366965      4.356017
  H      -6.950070     -0.066891      5.888905
  H     -10.858035      0.706258      2.428034
  H     -10.613187     -3.863071      2.835581
  H      -9.009352     -5.441674      3.925078
  H      -7.028051     -4.563800      5.149729
  H      -6.633519     -2.132006      5.314257
  N      -5.474861      4.087996      3.437123
  N      -5.909374      4.395988      2.409011
  H      -5.436680      2.707437      1.440565
89
Coordinates from ORCA-job orca E -6140.487402121655
  N      -3.522201      2.062289      4.104793
  Mo     -4.658464      3.386418      5.040189
  N      -6.193324      2.551435      5.946385
  C      -6.001699      2.108236      7.329678
  C      -4.599852      1.521220      7.453428
  N      -3.642616      2.468271      6.817985
  C      -2.435555      1.788027      6.278546
  C      -2.761908      1.128565      4.943735
  C      -3.300028      3.578432      7.748471
  C      -2.874682      4.801446      6.957376
  N      -3.762547      4.975803      5.808412
  H      -1.809193      0.851771      4.456197
  H      -3.319134      0.184706      5.105850
  H      -1.674745      2.562810      6.110247
  H      -2.037347      1.061680      7.008333
  H      -2.917347      5.687348      7.617387
  H      -1.818741      4.706153      6.638806
  H      -4.209351      3.814267      8.317189
  H      -2.521787      3.259170      8.462639
  H      -6.748447      1.349161      7.613261
  H      -6.135397      2.952716      8.027700
  H      -4.556357      0.577393      6.892971
  H      -4.307875      1.322355      8.499270
  C      -3.235884      1.942805      2.685528
  C      -3.786911      0.678843      1.996903
  C      -5.221733      0.641622      1.578179
  N      -5.844165      1.781977      1.229160
  C      -7.111935      1.817168      0.701708
  N      -7.807672      0.755318      0.436858
  C      -7.251671     -0.457912      0.765165
  C      -7.981947     -1.627483      0.480917
  C      -7.459727     -2.865259      0.808819
  C      -6.199306     -2.971366      1.434164
  C      -5.455236     -1.843245      1.715917
  C      -5.956512     -0.560362      1.383288
  C      -3.677521      6.302949      5.207027
  C      -2.336862      6.636525      4.513617
  C      -2.145403      5.887644      3.224480
  N      -2.986360      6.209407      2.246084
  C      -2.847799      5.571551      1.057986
  N      -1.945291      4.664494      0.730646
  C      -1.063583      4.318190      1.715281
  C      -0.068777      3.348056      1.433902
  C       0.808853      2.947378      2.419455
  C       0.730883      3.501850      3.719205
  C      -0.215782      4.461431      4.014331
  C      -1.134924      4.895599      3.024889
  C      -7.337249      1.974217      5.248056
  C      -7.133340      0.483240      4.950813
  C      -8.272271     -0.169364      4.215384
  N      -9.142050      0.620576      3.600313
  C     -10.166888      0.024154      2.930396
  N     -10.416837     -1.264976      2.827696
  C      -9.534465     -2.101069      3.454429
  C      -9.738978     -3.500354      3.379507
  C      -8.847232     -4.363048      3.983592
  C      -7.722710     -3.864081      4.681803
  C      -7.504358     -2.504262      4.774934
  C      -8.405070     -1.593330      4.168827
  H      -3.577303      2.848725      2.166937
  H      -2.142178      1.918665      2.532888
  H      -3.572592     -0.200290      2.617645
  H      -3.207238      0.529143      1.066154
  H      -7.505448      2.816509      0.508894
  H      -8.962309     -1.521026      0.017245
  H      -8.030879     -3.768534      0.593378
  H      -5.810892     -3.955177      1.698321
  H      -4.481448     -1.945138      2.192760
  H      -4.483682      6.415069      4.470876
  H      -3.844372      7.059000      5.997498
  H      -2.367920      7.707733      4.260927
  H      -1.496408      6.493384      5.203302
  H      -3.569171      5.853788      0.284626
  H      -0.027195      2.936618      0.424286
  H       1.573875      2.201239      2.198244
  H       1.435874      3.178096      4.486435
  H      -0.247982      4.894550      5.014074
  H      -8.254286      2.106211      5.850890
  H      -7.505873      2.520637      4.312489
  H      -6.208183      0.368051      4.355883
  H      -6.951403     -0.063913      5.888811
  H     -10.856802      0.706019      2.424328
  H     -10.612329     -3.862986      2.835678
  H      -9.009102     -5.440763      3.927230
  H      -7.028832     -4.561937      5.152904
  H      -6.634673     -2.130080      5.316313
  N      -5.470371      4.088504      3.436345
  N      -5.901730      4.396559      2.407021
  H      -5.429022      2.707198      1.437313
89
Coordinates from ORCA-job orca E -6140.487404736380
  N      -3.521679      2.060227      4.108831
  Mo     -4.657567      3.385934      5.041971
  N      -6.195751      2.553904      5.945289
  C      -6.007501      2.111570      7.329348
  C      -4.607327      1.521215      7.455927
  N      -3.646682      2.465614      6.821519
  C      -2.440515      1.781563      6.284621
  C      -2.766057      1.123596      4.948894
  C      -3.302155      3.574867      7.752383
  C      -2.872646      4.796483      6.961329
  N      -3.759728      4.973095      5.812133
  H      -1.813197      0.844173      4.463195
  H      -3.326881      0.181600      5.108961
  H      -1.676686      2.553747      6.118171
  H      -2.046643      1.053869      7.015396
  H      -2.912876      5.682613      7.621126
  H      -1.816915      4.697603      6.643122
  H      -4.211400      3.813381      8.320107
  H      -2.525518      3.253496      8.467347
  H      -6.756632      1.354598      7.612304
  H      -6.140306      2.956999      8.026381
  H      -4.565077      0.576886      6.896239
  H      -4.317506      1.322476      8.502386
  C      -3.229378      1.943762      2.690469
  C      -3.776836      0.680967      1.996579
  C      -5.211676      0.641729      1.578584
  N      -5.834238      1.781396      1.226814
  C      -7.101370      1.815183      0.698125
  N      -7.796784      0.752642      0.434890
  C      -7.240940     -0.459786      0.766703
  C      -7.970863     -1.630061      0.484575
  C      -7.448968     -2.867061      0.816023
  C      -6.189282     -2.971536      1.443118
  C      -5.445466     -1.842695      1.722744
  C      -5.946315     -0.560617      1.386314
  C      -3.674050      6.301085      5.212674
  C      -2.333923      6.634129      4.517776
  C      -2.147998      5.890457      3.224819
  N      -2.990099      6.219532      2.249906
  C      -2.856926      5.586246      1.058780
  N      -1.957636      4.678413      0.724826
  C      -1.074402      4.325034      1.705577
  C      -0.082748      3.353821      1.416839
  C       0.795411      2.945038      2.398565
  C       0.721023      3.492125      3.701646
  C      -0.222007      4.453108      4.003804
  C      -1.141371      4.895817      3.018357
  C      -7.338880      1.977155      5.245278
  C      -7.134805      0.485961      4.948930
  C      -8.273243     -0.167263      4.213415
  N      -9.141641      0.622309      3.595866
  C     -10.165964      0.025647      2.925538
  N     -10.416666     -1.263506      2.824417
  C      -9.535759     -2.099204      3.453720
  C      -9.741104     -3.498466      3.380488
  C      -8.850687     -4.360916      3.986862
  C      -7.726733     -3.861691      4.685812
  C      -7.507681     -2.501897      4.777465
  C      -8.407025     -1.591156      4.169044
  H      -3.569570      2.850314      2.172265
  H      -2.135015      1.920573      2.542570
  H      -3.558554     -0.200420      2.612529
  H      -3.197221      0.538897      1.064581
  H      -7.495260      2.813806      0.502407
  H      -8.950684     -1.524804      0.019481
  H      -8.019833     -3.770894      0.602173
  H      -5.801015     -3.954656      1.710073
  H      -4.472111     -1.943615      2.200691
  H      -4.481046      6.415194      4.477719
  H      -3.839324      7.056044      6.004492
  H      -2.361797      7.706580      4.270178
  H      -1.492437      6.484760      5.204884
  H      -3.579625      5.873799      0.288636
  H      -0.044277      2.947937      0.404855
  H       1.557926      2.197982      2.171851
  H       1.426099      3.161647      4.465931
  H      -0.251331      4.880520      5.006076
  H      -8.256818      2.109801      5.846539
  H      -7.505429      2.523123      4.309071
  H      -6.209398      0.370722      4.354363
  H      -6.952854     -0.060639      5.887233
  H     -10.854572      0.707201      2.417274
  H     -10.613971     -3.861239      2.835978
  H      -9.013166     -5.438605      3.931721
  H      -7.033846     -4.559314      5.158712
  H      -6.638413     -2.127672      5.319484
  N      -5.465078      4.088618      3.435852
  N      -5.892833      4.396377      2.405012
  H      -5.419461      2.707166      1.432845
89
Coordinates from ORCA-job orca E -6140.487409446499
  N      -3.520563      2.054394      4.120223
  Mo     -4.656215      3.383299      5.047998
  N      -6.202168      2.557989      5.944307
  C      -6.022042      2.117363      7.330029
  C      -4.625683      1.519538      7.463552
  N      -3.657006      2.457676      6.831671
  C      -2.452898      1.764757      6.301011
  C      -2.775885      1.110917      4.962665
  C      -3.307953      3.565090      7.763092
  C      -2.868311      4.783032      6.971843
  N      -3.753897      4.965331      5.822427
  H      -1.822563      0.825685      4.481445
  H      -3.344856      0.173129      5.117530
  H      -1.681887      2.530885      6.140012
  H      -2.069598      1.033516      7.033815
  H      -2.902103      5.669794      7.631024
  H      -1.813189      4.675465      6.654023
  H      -4.217133      3.810242      8.328103
  H      -2.535361      3.238991      8.480283
  H      -6.776663      1.365199      7.611257
  H      -6.152857      2.964925      8.024817
  H      -4.586016      0.574000      6.905743
  H      -4.341140      1.321188      8.511517
  C      -3.211619      1.948084      2.704608
  C      -3.747169      0.688582      1.994996
  C      -5.182248      0.641998      1.579929
  N      -5.806568      1.778912      1.220567
  C      -7.073121      1.807346      0.691010
  N      -7.766873      0.742047      0.433934
  C      -7.209732     -0.467420      0.774775
  C      -7.937754     -1.640519      0.499806
  C      -7.415128     -2.874627      0.841004
  C      -6.156725     -2.973042      1.471590
  C      -5.414458     -1.841365      1.743964
  C      -5.915685     -0.562242      1.396776
  C      -3.665610      6.295132      5.227317
  C      -2.326781      6.625461      4.528388
  C      -2.155772      5.896669      3.224863
  N      -3.001092      6.245594      2.259815
  C      -2.881008      5.626989      1.059680
  N      -1.989605      4.718440      0.707041
  C      -1.102272      4.345750      1.676896
  C      -0.117813      3.373631      1.367376
  C       0.761990      2.943042      2.338237
  C       0.695924      3.468015      3.650830
  C      -0.238707      4.430760      3.972934
  C      -1.158473      4.896795      2.998672
  C      -7.343345      1.983105      5.239507
  C      -7.139847      0.491512      4.944144
  C      -8.277139     -0.161138      4.206547
  N      -9.139664      0.629066      3.581493
  C     -10.162757      0.033562      2.908530
  N     -10.417670     -1.255135      2.811251
  C      -9.542982     -2.091408      3.448366
  C      -9.752939     -3.490211      3.379272
  C      -8.868461     -4.353598      3.992925
  C      -7.746153     -3.855721      4.695490
  C      -7.522882     -2.496390      4.783493
  C      -8.416003     -1.584619      4.167516
  H      -3.549625      2.856534      2.188427
  H      -2.115563      1.929199      2.569387
  H      -3.517169     -0.198847      2.597379
  H      -3.167826      0.568448      1.059775
  H      -7.469140      2.803694      0.488124
  H      -8.916881     -1.539789      0.032237
  H      -7.984585     -3.780617      0.632628
  H      -5.767875     -3.953678      1.746741
  H      -4.441957     -1.938156      2.224515
  H      -4.474906      6.415155      4.495783
  H      -3.825544      7.047503      6.022624
  H      -2.345713      7.701163      4.294606
  H      -1.482559      6.458964      5.208128
  H      -3.607843      5.928514      0.298880
  H      -0.086901      2.984096      0.348736
  H       1.518702      2.194987      2.095898
  H       1.401275      3.119394      4.406766
  H      -0.261671      4.841191      4.982462
  H      -8.263506      2.117257      5.836909
  H      -7.504605      2.528857      4.302240
  H      -6.213497      0.375850      4.351095
  H      -6.959558     -0.054705      5.882941
  H     -10.846287      0.715543      2.394019
  H     -10.624385     -3.851822      2.831722
  H      -9.034369     -5.430909      3.940710
  H      -7.057837     -4.553980      5.174096
  H      -6.654786     -2.123526      5.328311
  N      -5.453648      4.087386      3.436508
  N      -5.872201      4.394774      2.402014
  H      -5.392590      2.706475      1.422210
89
Coordinates from ORCA-job orca E -6140.487393017994
  N      -3.514705      2.042362      4.141964
  Mo     -4.650932      3.376290      5.059890
  N      -6.211028      2.562693      5.942391
  C      -6.046090      2.124655      7.330883
  C      -4.656639      1.513849      7.477440
  N      -3.673382      2.440883      6.850934
  C      -2.472878      1.732198      6.332034
  C      -2.790035      1.086549      4.988385
  C      -3.316611      3.544901      7.783605
  C      -2.858716      4.756256      6.992361
  N      -3.741844      4.949349      5.842889
  H      -1.835702      0.791353      4.515609
  H      -3.373197      0.156196      5.133025
  H      -1.688902      2.487293      6.182312
  H      -2.109374      0.994304      7.068153
  H      -2.880726      5.643752      7.650829
  H      -1.804872      4.633327      6.674924
  H      -4.225802      3.801893      8.343357
  H      -2.551650      3.210404      8.505069
  H      -6.810459      1.380936      7.608276
  H      -6.173710      2.975714      8.021940
  H      -4.621091      0.566314      6.922769
  H      -4.382163      1.316038      8.528157
  C      -3.175026      1.954680      2.732196
  C      -3.686684      0.700732      1.994558
  C      -5.121785      0.638554      1.583937
  N      -5.750373      1.769071      1.208805
  C      -7.016052      1.785417      0.678057
  N      -7.705506      0.714015      0.433971
  C      -7.144966     -0.488641      0.793528
  C      -7.868378     -1.668014      0.533972
  C      -7.343542     -2.895383      0.895844
  C      -6.087730     -2.980165      1.533449
  C      -5.349238     -1.842272      1.790027
  C      -5.851978     -0.570032      1.420005
  C      -3.650016      6.283165      5.257232
  C      -2.314509      6.609967      4.550099
  C      -2.172820      5.912925      3.225753
  N      -3.023998      6.301726      2.281563
  C      -2.930151      5.713630      1.064006
  N      -2.055231      4.804401      0.673818
  C      -1.160457      4.392798      1.620878
  C      -0.191385      3.419434      1.269811
  C       0.691003      2.945315      2.217790
  C       0.641728      3.425489      3.548177
  C      -0.275317      4.391025      3.910315
  C      -1.194877      4.903679      2.959582
  C      -7.349143      1.993179      5.228132
  C      -7.149395      0.500710      4.933534
  C      -8.285069     -0.147510      4.189796
  N      -9.132194      0.646204      3.548095
  C     -10.153378      0.055815      2.868163
  N     -10.420663     -1.231038      2.778662
  C      -9.562360     -2.070729      3.433189
  C      -9.786058     -3.467828      3.372834
  C      -8.917536     -4.335361      4.003117
  C      -7.798175     -3.843334      4.714494
  C      -7.562111     -2.485714      4.794747
  C      -8.438576     -1.569609      4.161559
  H      -3.510237      2.865971      2.219487
  H      -2.076229      1.944813      2.620182
  H      -3.434369     -0.196168      2.572663
  H      -3.107808      0.620701      1.054878
  H      -7.416879      2.776747      0.460518
  H      -8.846230     -1.577454      0.061627
  H      -7.909632     -3.806111      0.699339
  H      -5.697304     -3.955103      1.826125
  H      -4.378561     -1.929386      2.276151
  H      -4.464314      6.414930      4.533192
  H      -3.799344      7.029471      6.060175
  H      -2.316548      7.691528      4.344614
  H      -1.465089      6.409904      5.213987
  H      -3.663782      6.044474      0.322275
  H      -0.175556      3.063086      0.238766
  H       1.435527      2.195806      1.944167
  H       1.347138      3.040751      4.286354
  H      -0.285728      4.767058      4.933422
  H      -8.273294      2.131161      5.818304
  H      -7.499718      2.539473      4.289412
  H      -6.220968      0.382914      4.344216
  H      -6.974578     -0.045923      5.873006
  H     -10.823847      0.740410      2.340116
  H     -10.654844     -3.824702      2.818001
  H      -9.093810     -5.411310      3.957187
  H      -7.122275     -4.544650      5.206145
  H      -6.696181     -2.117881      5.346352
  N      -5.429336      4.081938      3.437912
  N      -5.829927      4.386886      2.396044
  H      -5.339003      2.701273      1.402293
89
Coordinates from ORCA-job orca E -6140.487412799503
  N      -3.515685      2.051756      4.124374
  Mo     -4.652968      3.379758      5.050975
  N      -6.201117      2.555051      5.944139
  C      -6.023488      2.113673      7.329957
  C      -4.627822      1.514743      7.465652
  N      -3.657117      2.452071      6.835435
  C      -2.452940      1.757302      6.306969
  C      -2.773693      1.106072      4.966836
  C      -3.307483      3.558694      7.767683
  C      -2.865215      4.776068      6.976925
  N      -3.751103      4.960536      5.828131
  H      -1.819822      0.820507      4.487019
  H      -3.344291      0.168858      5.118793
  H      -1.679720      2.521912      6.149469
  H      -2.073456      1.024365      7.040024
  H      -2.896819      5.662648      7.636393
  H      -1.810388      4.666259      6.658498
  H      -4.216990      3.805258      8.331565
  H      -2.536227      3.231205      8.485663
  H      -6.779231      1.362069      7.609659
  H      -6.154529      2.961098      8.024878
  H      -4.587847      0.569177      6.907895
  H      -4.345074      1.316162      8.514048
  C      -3.201220      1.949563      2.709670
  C      -3.729692      0.689701      1.995059
  C      -5.164649      0.637821      1.580803
  N      -5.790861      1.772484      1.216700
  C      -7.057512      1.796519      0.687544
  N      -7.749578      0.728974      0.434937
  C      -7.190969     -0.478080      0.781876
  C      -7.917514     -1.653520      0.512937
  C      -7.393934     -2.885176      0.861480
  C      -6.136013     -2.978695      1.493788
  C      -5.394834     -1.844777      1.759748
  C      -5.896875     -0.568130      1.404524
  C      -3.664260      6.292014      5.236473
  C      -2.326666      6.624264      4.536010
  C      -2.161901      5.905480      3.226143
  N      -3.008518      6.265210      2.266298
  C      -2.894709      5.655129      1.061228
  N      -2.007434      4.746372      0.698803
  C      -1.118071      4.363514      1.662860
  C      -0.137006      3.391596      1.342312
  C       0.744035      2.950223      2.307242
  C       0.681998      3.463257      3.624761
  C      -0.249004      4.425933      3.957599
  C      -1.168885      4.903871      2.989279
  C      -7.342745      1.983254      5.237460
  C      -7.142036      0.491646      4.939788
  C      -8.279595     -0.156899      4.198960
  N      -9.133928      0.636494      3.566591
  C     -10.157088      0.045119      2.890175
  N     -10.419630     -1.242285      2.796034
  C      -9.553685     -2.081739      3.440743
  C      -9.772115     -3.479419      3.375224
  C      -8.896303     -4.346305      3.996261
  C      -7.774515     -3.853130      4.702984
  C      -7.543246     -2.494943      4.787838
  C      -8.427333     -1.579571      4.164218
  H      -3.541339      2.857534      2.194199
  H      -2.104637      1.935080      2.578172
  H      -3.493421     -0.199225      2.592648
  H      -3.150188      0.578460      1.058899
  H      -7.455456      2.791175      0.480122
  H      -8.896564     -1.556415      0.044412
  H      -7.962408     -3.792888      0.657954
  H      -5.746579     -3.957295      1.775312
  H      -4.422790     -1.937889      2.241998
  H      -4.475048      6.414369      4.506945
  H      -3.822687      7.041847      6.034452
  H      -2.342777      7.701878      4.311099
  H      -1.481031      6.449079      5.211700
  H      -3.623052      5.964688      0.305172
  H      -0.109770      3.010907      0.320234
  H       1.498298      2.202417      2.056615
  H       1.387776      3.105638      4.376091
  H      -0.269186      4.827231      4.970889
  H      -8.263117      2.118302      5.834339
  H      -7.501990      2.530582      4.300798
  H      -6.215388      0.375638      4.347378
  H      -6.963758     -0.056474      5.877783
  H     -10.833803      0.729550      2.369951
  H     -10.642964     -3.837301      2.824287
  H      -9.068666     -5.422720      3.946649
  H      -7.092987     -4.554047      5.187378
  H      -6.675524     -2.125862      5.335784
  N      -5.446757      4.082546      3.436448
  N      -5.860831      4.386379      2.399228
  H      -5.379225      2.700219      1.415539
89
Coordinates from ORCA-job orca E -6140.487413756092
  N      -3.516919      2.051439      4.122392
  Mo     -4.654021      3.379704      5.049087
  N      -6.201942      2.555402      5.942744
  C      -6.024112      2.115251      7.328877
  C      -4.628688      1.515789      7.464471
  N      -3.657809      2.452515      6.833896
  C      -2.454059      1.757591      6.304956
  C      -2.775629      1.105701      4.965325
  C      -3.308087      3.559571      7.765553
  C      -2.866604      4.777060      6.974577
  N      -3.752399      4.961219      5.825586
  H      -1.821996      0.819014      4.485640
  H      -3.346754      0.168919      5.118293
  H      -1.681088      2.522309      6.146545
  H      -2.073728      1.024904      7.037849
  H      -2.898787      5.663615      7.634114
  H      -1.811662      4.668157      6.656380
  H      -4.217424      3.805888      8.329828
  H      -2.536405      3.232628      8.483333
  H      -6.780012      1.364201      7.609607
  H      -6.154529      2.963377      8.023081
  H      -4.589367      0.570133      6.906789
  H      -4.346041      1.317156      8.512890
  C      -3.202497      1.949376      2.707887
  C      -3.733045      0.691171      1.992231
  C      -5.168880      0.640764      1.580349
  N      -5.794267      1.775901      1.216697
  C      -7.061162      1.801364      0.687829
  N      -7.753813      0.734465      0.434686
  C      -7.195953     -0.473185      0.780522
  C      -7.922965     -1.647982      0.509955
  C      -7.399879     -2.880293      0.856794
  C      -6.142080     -2.975253      1.489099
  C      -5.400441     -1.842010      1.756684
  C      -5.901956     -0.564673      1.403243
  C      -3.664914      6.292315      5.233276
  C      -2.327309      6.623968      4.532791
  C      -2.160112      5.902016      3.225032
  N      -3.006573      6.257549      2.263437
  C      -2.889808      5.645057      1.059838
  N      -2.000334      4.737136      0.700652
  C      -1.111484      4.358191      1.666740
  C      -0.128246      3.387219      1.349980
  C       0.752804      2.950419      2.317005
  C       0.688617      3.467090      3.633004
  C      -0.244964      4.428470      3.962281
  C      -1.164967      4.901694      2.991745
  C      -7.343381      1.982638      5.236790
  C      -7.143164      0.490397      4.942624
  C      -8.281424     -0.159307      4.203921
  N      -9.139205      0.633140      3.575214
  C     -10.162464      0.040380      2.900039
  N     -10.421880     -1.247485      2.803994
  C      -9.552379     -2.086018      3.445175
  C      -9.767378     -3.484138      3.377688
  C      -8.887881     -4.349840      3.995197
  C      -7.765563     -3.855064      4.699965
  C      -7.537489     -2.496436      4.786519
  C      -8.425598     -1.582317      4.166803
  H      -3.540709      2.858451      2.192987
  H      -2.105966      1.932928      2.576088
  H      -3.497096     -0.198695      2.588582
  H      -3.154940      0.580140      1.055151
  H      -7.458033      2.796686      0.481568
  H      -8.901886     -1.549815      0.041371
  H      -7.968661     -3.787460      0.651752
  H      -5.753048     -3.954465      1.769054
  H      -4.428309     -1.935999      2.238571
  H      -4.475707      6.414672      4.503770
  H      -3.822719      7.042746      6.030845
  H      -2.345186      7.700916      4.304668
  H      -1.481833      6.452394      5.209603
  H      -3.617881      5.951470      0.302202
  H      -0.099207      3.003535      0.329066
  H       1.508837      2.203472      2.069175
  H       1.394487      3.113111      4.385965
  H      -0.267119      4.832296      4.974496
  H      -8.264011      2.119227      5.832989
  H      -7.502275      2.528329      4.299116
  H      -6.216667      0.372167      4.350374
  H      -6.965175     -0.055562      5.881970
  H     -10.841909      0.724074      2.382402
  H     -10.638625     -3.843323      2.828226
  H      -9.057737     -5.426608      3.944344
  H      -7.081121     -4.555111      5.181502
  H      -6.669378     -2.125872      5.332842
  N      -5.448309      4.084846      3.436249
  N      -5.864586      4.392358      2.400975
  H      -5.380322      2.705240      1.414397
89
Coordinates from ORCA-job orca E -6140.487416540846
  N      -3.514403      2.050080      4.124846
  Mo     -4.652499      3.377820      5.050794
  N      -6.201741      2.553989      5.942659
  C      -6.025419      2.113362      7.328845
  C      -4.630457      1.513127      7.465667
  N      -3.658345      2.449342      6.836105
  C      -2.454537      1.753368      6.308481
  C      -2.774770      1.103020      4.967788
  C      -3.308386      3.555919      7.768278
  C      -2.865242      4.773036      6.977645
  N      -3.751009      4.958530      5.828854
  H      -1.820801      0.816115      4.488965
  H      -3.346905      0.166610      5.118984
  H      -1.680272      2.517193      6.152163
  H      -2.076468      1.019656      7.041499
  H      -2.896165      5.659494      7.637336
  H      -1.810454      4.662723      6.659262
  H      -4.217971      3.803073      8.331789
  H      -2.537573      3.228160      8.486607
  H      -6.782005      1.362660      7.608656
  H      -6.155952      2.961396      8.023138
  H      -4.591061      0.567481      6.907974
  H      -4.348863      1.314292      8.514327
  C      -3.196573      1.950718      2.710894
  C      -3.723053      0.692516      1.991953
  C      -5.158852      0.639019      1.580712
  N      -5.785450      1.772852      1.214549
  C      -7.052472      1.795751      0.686090
  N      -7.744146      0.727548      0.435557
  C      -7.185250     -0.478714      0.784614
  C      -7.911331     -1.654865      0.517413
  C      -7.387526     -2.885770      0.868188
  C      -6.129962     -2.977869      1.501384
  C      -5.389085     -1.843303      1.765482
  C      -5.891174     -0.567408      1.407597
  C      -3.663964      6.290471      5.238355
  C      -2.326930      6.622717      4.536972
  C      -2.163524      5.906130      3.225760
  N      -3.010617      6.267961      2.267113
  C      -2.897358      5.660462      1.060671
  N      -2.010116      4.752643      0.695781
  C      -1.120276      4.367674      1.658570
  C      -0.138969      3.396871      1.335433
  C       0.742502      2.953529      2.299092
  C       0.680542      3.463151      3.617940
  C      -0.250729      4.424673      3.953351
  C      -1.170827      4.904810      2.986308
  C      -7.343427      1.982996      5.235604
  C      -7.144596      0.490780      4.940081
  C      -8.282890     -0.156897      4.199615
  N      -9.136437      0.637082      3.567009
  C     -10.159783      0.046352      2.890240
  N     -10.423139     -1.240854      2.796023
  C      -9.558141     -2.080911      3.441238
  C      -9.777523     -3.478449      3.375822
  C      -8.902509     -4.345843      3.997282
  C      -7.780518     -3.853377      4.704193
  C      -7.548331     -2.495338      4.788934
  C      -8.431709     -1.579476      4.165047
  H      -3.535799      2.859673      2.196524
  H      -2.099713      1.936737      2.581479
  H      -3.483309     -0.198356      2.585153
  H      -3.145025      0.587067      1.054216
  H      -7.450549      2.790088      0.477395
  H      -8.890238     -1.558813      0.048354
  H      -7.955660     -3.793950      0.665839
  H      -5.740474     -3.955902      1.784813
  H      -4.417167     -1.935171      2.248233
  H      -4.475511      6.414183      4.509896
  H      -3.820829      7.039623      6.037291
  H      -2.342887      7.700685      4.313647
  H      -1.480690      6.446177      5.211518
  H      -3.626070      5.971727      0.305664
  H      -0.111827      3.018537      0.312474
  H       1.497056      2.206689      2.046467
  H       1.386535      3.103830      4.368255
  H      -0.271214      4.823222      4.967693
  H      -8.264178      2.120019      5.831509
  H      -7.501197      2.529564      4.298261
  H      -6.217938      0.372527      4.348133
  H      -6.967624     -0.056260      5.878947
  H     -10.835707      0.731212      2.369545
  H     -10.648427     -3.835809      2.824629
  H      -9.075669     -5.422148      3.947893
  H      -7.099595     -4.554717      5.188825
  H      -6.680441     -2.126636      5.336850
  N      -5.444575      4.082394      3.436305
  N      -5.858203      4.388059      2.399492
  H      -5.372823      2.702090      1.410975
89
Coordinates from ORCA-job orca E -6140.487418454760
  N      -3.510763      2.047540      4.127267
  Mo     -4.650501      3.374396      5.052176
  N      -6.201646      2.551496      5.941506
  C      -6.027535      2.110759      7.327932
  C      -4.633449      1.508966      7.466515
  N      -3.659302      2.444050      6.838357
  C      -2.455641      1.746336      6.312533
  C      -2.774171      1.098243      4.970339
  C      -3.308904      3.550073      7.771059
  C      -2.863661      4.766721      6.980895
  N      -3.749477      4.954264      5.832442
  H      -1.819798      0.810426      4.492937
  H      -3.348220      0.162661      5.119123
  H      -1.679403      2.508755      6.159188
  H      -2.080796      1.011026      7.045594
  H      -2.892827      5.652939      7.640965
  H      -1.809092      4.654679      6.662194
  H      -4.218754      3.798357      8.333655
  H      -2.539170      3.221311      8.490075
  H      -6.785278      1.360901      7.606864
  H      -6.157893      2.958997      8.022016
  H      -4.594372      0.563318      6.908791
  H      -4.353515      1.309720      8.515541
  C      -3.187406      1.952936      2.714346
  C      -3.708253      0.695779      1.989204
  C      -5.144538      0.637908      1.580669
  N      -5.772675      1.769811      1.210508
  C      -7.040107      1.789240      0.683053
  N      -7.730601      0.719247      0.436901
  C      -7.170437     -0.485000      0.790872
  C      -7.895378     -1.663016      0.528756
  C      -7.370714     -2.891899      0.885335
  C      -6.113518     -2.979998      1.519817
  C      -5.373489     -1.843637      1.778597
  C      -5.876181     -0.569823      1.414115
  C      -3.663113      6.287479      5.244748
  C      -2.327056      6.620869      4.541988
  C      -2.168069      5.911309      3.226420
  N      -3.016240      6.280551      2.271592
  C      -2.906860      5.679654      1.061499
  N      -2.021894      4.772552      0.689377
  C      -1.130636      4.380430      1.647967
  C      -0.151208      3.410442      1.316865
  C       0.731009      2.959421      2.276284
  C       0.671433      3.459966      3.598714
  C      -0.257666      4.420882      3.941858
  C      -1.177960      4.909299      2.979161
  C      -7.343852      1.983032      5.233265
  C      -7.147835      0.490450      4.937565
  C      -8.286697     -0.154440      4.195498
  N      -9.135088      0.641589      3.558521
  C     -10.158654      0.053537      2.879781
  N     -10.426891     -1.232792      2.787495
  C      -9.567430     -2.074907      3.437372
  C      -9.792219     -3.471686      3.374161
  C      -8.922609     -4.341275      4.000090
  C      -7.800849     -3.851840      4.709484
  C      -7.563574     -2.494569      4.792296
  C      -8.441319     -1.576460      4.163788
  H      -3.527339      2.862351      2.201323
  H      -2.090060      1.942018      2.588657
  H      -3.461953     -0.197388      2.576038
  H      -3.131455      0.600252      1.049690
  H      -7.439546      2.782283      0.470801
  H      -8.874259     -1.569910      0.059025
  H      -7.938069     -3.801442      0.686959
  H      -5.723549     -3.956360      1.808319
  H      -4.401818     -1.932435      2.262454
  H      -4.475897      6.413259      4.518000
  H      -3.818350      7.034722      6.045767
  H      -2.341188      7.700083      4.324672
  H      -1.479696      6.438574      5.213550
  H      -3.636778      5.996402      0.309975
  H      -0.126166      3.038787      0.291406
  H       1.484159      2.213216      2.017647
  H       1.377685      3.094267      4.345700
  H      -0.276600      4.812505      4.958921
  H      -8.264845      2.121863      5.828398
  H      -7.499581      2.530047      4.295860
  H      -6.221071      0.370752      4.346129
  H      -6.972699     -0.057139      5.876401
  H     -10.830257      0.739965      2.355574
  H     -10.662786     -3.826684      2.820912
  H      -9.099875     -5.416984      3.952312
  H      -7.124178     -4.554888      5.197582
  H      -6.695836     -2.128189      5.341979
  N      -5.439424      4.079460      3.436042
  N      -5.850138      4.384266      2.397931
  H      -5.360879      2.699786      1.403853
89
Coordinates from ORCA-job orca E -6140.487420582976
  N      -3.506762      2.045065      4.127452
  Mo     -4.648811      3.370004      5.052130
  N      -6.200998      2.547283      5.939589
  C      -6.028235      2.106302      7.326086
  C      -4.634748      1.503433      7.465522
  N      -3.659253      2.437932      6.838622
  C      -2.455590      1.739325      6.313907
  C      -2.772589      1.093665      4.970150
  C      -3.308901      3.543546      7.771863
  C      -2.862807      4.760269      6.982356
  N      -3.749063      4.949656      5.834475
  H      -1.817846      0.805368      4.493819
  H      -3.348076      0.158620      5.116607
  H      -1.677869      2.500825      6.163506
  H      -2.083184      1.002355      7.046544
  H      -2.890686      5.646001      7.643134
  H      -1.808462      4.647483      6.663049
  H      -4.218998      3.792122      8.333934
  H      -2.539731      3.214289      8.491246
  H      -6.786639      1.356905      7.604438
  H      -6.158433      2.954562      8.020185
  H      -4.596002      0.558006      6.907376
  H      -4.355950      1.303465      8.514718
  C      -3.178402      1.956204      2.715505
  C      -3.693705      0.700710      1.983265
  C      -5.131038      0.638010      1.579511
  N      -5.761138      1.767714      1.205352
  C      -7.029508      1.783374      0.680080
  N      -7.718829      0.711426      0.439373
  C      -7.156968     -0.490574      0.798265
  C      -7.880755     -1.670631      0.542093
  C      -7.354808     -2.897264      0.904521
  C      -6.097609     -2.980959      1.539567
  C      -5.358391     -1.842640      1.792099
  C      -5.862062     -0.571152      1.420851
  C      -3.663928      6.284191      5.249688
  C      -2.328809      6.619589      4.546067
  C      -2.172133      5.915842      3.227132
  N      -3.021269      6.289996      2.275088
  C      -2.913741      5.694589      1.062111
  N      -2.029352      4.789192      0.684517
  C      -1.136917      4.392338      1.640064
  C      -0.157765      3.424132      1.303057
  C       0.725286      2.968178      2.259394
  C       0.666642      3.461512      3.584571
  C      -0.262096      4.420703      3.933507
  C      -1.182807      4.914511      2.973964
  C      -7.344435      1.981776      5.231025
  C      -7.152330      0.488603      4.935789
  C      -8.292487     -0.153023      4.192822
  N      -9.136057      0.645346      3.552409
  C     -10.160300      0.060298      2.872087
  N     -10.433478     -1.225068      2.781255
  C      -9.579238     -2.069551      3.434921
  C      -9.809481     -3.465510      3.373372
  C      -8.944913     -4.337547      4.002846
  C      -7.822972     -3.851483      4.714288
  C      -7.580551     -2.495041      4.795674
  C      -8.453046     -1.574445      4.163516
  H      -3.519318      2.866434      2.204628
  H      -2.080654      1.948547      2.592942
  H      -3.439255     -0.195297      2.562030
  H      -3.119557      0.616910      1.041049
  H      -7.430469      2.775061      0.464357
  H      -8.859922     -1.580761      0.072301
  H      -7.921380     -3.808293      0.710775
  H      -5.706891     -3.955482      1.833248
  H      -4.386649     -1.927976      2.276485
  H      -4.477796      6.411528      4.524408
  H      -3.818124      7.029476      6.052714
  H      -2.342551      7.699753      4.333469
  H      -1.480577      6.433675      5.215501
  H      -3.644599      6.015023      0.313080
  H      -0.133567      3.057684      0.275707
  H       1.478304      2.223404      1.996266
  H       1.373320      3.091677      4.329114
  H      -0.280698      4.806824      4.952669
  H      -8.265293      2.123293      5.825776
  H      -7.498322      2.528941      4.293424
  H      -6.225803      0.366489      4.344540
  H      -6.979145     -0.059248      5.874780
  H     -10.827819      0.748533      2.345042
  H     -10.680010     -3.817921      2.818413
  H      -9.126311     -5.412620      3.956277
  H      -7.150298     -4.556470      5.205106
  H      -6.712642     -2.131147      5.346701
  N      -5.435657      4.076381      3.435341
  N      -5.844735      4.381377      2.396764
  H      -5.349746      2.698793      1.394546
89
Coordinates from ORCA-job orca E -6140.487424211728
  N      -3.502326      2.043343      4.124035
  Mo     -4.647777      3.364527      5.049999
  N      -6.199182      2.540332      5.937090
  C      -6.025913      2.098589      7.323251
  C      -4.632271      1.496028      7.461678
  N      -3.657100      2.431340      6.835651
  C      -2.452947      1.733803      6.310679
  C      -2.768715      1.090563      4.965412
  C      -3.307872      3.536837      7.769486
  C      -2.863363      4.754668      6.980922
  N      -3.750684      4.945109      5.833933
  H      -1.813613      0.803099      4.489303
  H      -3.344244      0.155221      5.109866
  H      -1.674995      2.495586      6.162808
  H      -2.081130      0.995373      7.042158
  H      -2.891107      5.639560      7.642862
  H      -1.809195      4.643050      6.660606
  H      -4.218224      3.784015      8.331758
  H      -2.538259      3.208103      8.488629
  H      -6.783786      1.348597      7.601403
  H      -6.156300      2.946311      8.017995
  H      -4.593593      0.551265      6.902367
  H      -4.353380      1.294854      8.510627
  C      -3.170826      1.961001      2.712731
  C      -3.681295      0.707657      1.973135
  C      -5.120317      0.639783      1.576605
  N      -5.753040      1.767101      1.199153
  C      -7.023120      1.778805      0.677844
  N      -7.711313      0.704790      0.443597
  C      -7.147057     -0.494825      0.806706
  C      -7.869730     -1.677042      0.557296
  C      -7.341816     -2.901282      0.924954
  C      -6.083917     -2.980306      1.559180
  C      -5.345425     -1.839919      1.804555
  C      -5.850742     -0.570919      1.427057
  C      -3.667677      6.280831      5.251735
  C      -2.333264      6.619577      4.548334
  C      -2.175146      5.919003      3.227932
  N      -3.025074      6.293400      2.276664
  C      -2.915939      5.701049      1.062302
  N      -2.029404      4.798600      0.682720
  C      -1.136157      4.401573      1.637431
  C      -0.154724      3.436381      1.298464
  C       0.729293      2.980454      2.253940
  C       0.669349      3.470610      3.580230
  C      -0.261824      4.426705      3.931176
  C      -1.183475      4.920537      2.972540
  C      -7.345056      1.978329      5.229777
  C      -7.158174      0.484377      4.935344
  C      -8.300548     -0.153283      4.192271
  N      -9.139718      0.647894      3.549674
  C     -10.165222      0.066371      2.868187
  N     -10.443467     -1.217914      2.778109
  C      -9.594022     -2.065262      3.434333
  C      -9.829764     -3.460325      3.373537
  C      -8.969745     -4.335243      4.005225
  C      -7.847102     -3.853100      4.718244
  C      -7.599486     -2.497567      4.799070
  C      -8.467223     -1.574057      4.164629
  H      -3.513493      2.872327      2.205001
  H      -2.072859      1.956826      2.591685
  H      -3.417115     -0.191557      2.542286
  H      -3.111621      0.636878      1.027172
  H      -7.425925      2.769130      0.459300
  H      -8.849744     -1.590588      0.088597
  H      -7.907636     -3.813885      0.736504
  H      -5.691988     -3.952902      1.857623
  H      -4.373068     -1.921486      2.288417
  H      -4.482151      6.408481      4.527184
  H      -3.822215      7.024360      6.056314
  H      -2.349056      7.700148      4.337892
  H      -1.484689      6.433905      5.217392
  H      -3.647449      6.021610      0.313954
  H      -0.129408      3.072075      0.270380
  H       1.484138      2.238076      1.989272
  H       1.376796      3.100765      4.324034
  H      -0.281826      4.810438      4.951197
  H      -8.265023      2.123403      5.825117
  H      -7.497871      2.525420      4.291978
  H      -6.232360      0.358898      4.343749
  H      -6.986906     -0.063670      5.874517
  H     -10.829038      0.756820      2.339362
  H     -10.700648     -3.809769      2.817261
  H      -9.155288     -5.409634      3.959167
  H      -7.178093     -4.560410      5.210725
  H      -6.730999     -2.136468      5.350987
  N      -5.434906      4.072927      3.434182
  N      -5.844766      4.379085      2.396382
  H      -5.341834      2.699255      1.382972
89
Coordinates from ORCA-job orca E -6140.487427877242
  N      -3.499074      2.043571      4.118385
  Mo     -4.647875      3.360586      5.046536
  N      -6.196541      2.533420      5.935287
  C      -6.020824      2.090644      7.320787
  C      -4.626021      1.490327      7.456595
  N      -3.653282      2.428004      6.830525
  C      -2.448043      1.733687      6.303956
  C      -2.763391      1.091228      4.958170
  C      -3.306238      3.533881      7.764731
  C      -2.865599      4.753566      6.976972
  N      -3.753957      4.943085      5.830568
  H      -1.808039      0.805881      4.481255
  H      -3.337105      0.154657      5.102117
  H      -1.671783      2.497302      6.156486
  H      -2.074036      0.995124      7.034207
  H      -2.895201      5.637669      7.639933
  H      -1.811350      4.645103      6.655967
  H      -4.216792      3.778129      8.327942
  H      -2.535174      3.206792      8.483074
  H      -6.776820      1.338838      7.599115
  H      -6.152124      2.937301      8.016686
  H      -4.586768      0.546417      6.895856
  H      -4.345536      1.288113      8.504925
  C      -3.168431      1.964837      2.706948
  C      -3.677747      0.712946      1.963879
  C      -5.118237      0.642429      1.573429
  N      -5.752868      1.768565      1.195437
  C      -7.024634      1.778400      0.678113
  N      -7.712563      0.703388      0.448037
  C      -7.146438     -0.495094      0.812052
  C      -7.868845     -1.678349      0.566780
  C      -7.339255     -2.901446      0.935856
  C      -6.080018     -2.978229      1.567673
  C      -5.341594     -1.836838      1.808665
  C      -5.848484     -0.569034      1.429274
  C      -3.673249      6.279114      5.248942
  C      -2.338899      6.621238      4.547023
  C      -2.175603      5.918802      3.228290
  N      -3.025930      6.287375      2.275053
  C      -2.912101      5.693309      1.061929
  N      -2.021222      4.793806      0.685569
  C      -1.127797      4.402494      1.642461
  C      -0.142291      3.440137      1.307263
  C       0.742478      2.990291      2.264918
  C       0.679492      3.484089      3.589706
  C      -0.256055      4.437210      3.937069
  C      -1.178983      4.924410      2.976273
  C      -7.345121      1.973829      5.230507
  C      -7.162418      0.479292      4.936657
  C      -8.307066     -0.155435      4.194507
  N      -9.144565      0.647871      3.552468
  C     -10.171520      0.068928      2.870942
  N     -10.452548     -1.214675      2.780232
  C      -9.604970     -2.064212      3.436088
  C      -9.843632     -3.458731      3.374402
  C      -8.985304     -4.335808      4.005400
  C      -7.861603     -3.856475      4.718654
  C      -7.611216     -2.501508      4.800419
  C      -8.477123     -1.575822      4.166647
  H      -3.512677      2.876979      2.201730
  H      -2.070554      1.962275      2.584736
  H      -3.407398     -0.188155      2.527048
  H      -3.112135      0.649407      1.014959
  H      -7.428668      2.768119      0.459097
  H      -8.850034     -1.593517      0.100224
  H      -7.904918     -3.814818      0.750705
  H      -5.686963     -3.949937      1.867543
  H      -4.368182     -1.916532      2.290752
  H      -4.487300      6.405090      4.523641
  H      -3.829979      7.022178      6.053536
  H      -2.358748      7.701327      4.334375
  H      -1.490788      6.440573      5.218075
  H      -3.643639      6.009534      0.311738
  H      -0.114332      3.073012      0.280254
  H       1.500413      2.250072      2.003054
  H       1.387842      3.119327      4.335151
  H      -0.278447      4.823768      4.955967
  H      -8.263715      2.121652      5.827327
  H      -7.498314      2.520681      4.292637
  H      -6.237503      0.351035      4.344249
  H      -6.991965     -0.068934      5.875855
  H     -10.833853      0.761121      2.342534
  H     -10.715235     -3.806067      2.817940
  H      -9.172993     -5.409795      3.958573
  H      -7.194027     -4.565543      5.210551
  H      -6.741887     -2.142393      5.352294
  N      -5.438143      4.070557      3.433104
  N      -5.851603      4.378322      2.397270
  H      -5.341505      2.700650      1.375245
89
Coordinates from ORCA-job orca E -6140.487429212372
  N      -3.496545      2.043438      4.114643
  Mo     -4.648174      3.357172      5.044152
  N      -6.195126      2.527842      5.933685
  C      -6.018018      2.084031      7.318672
  C      -4.622474      1.485152      7.452784
  N      -3.651288      2.424533      6.826904
  C      -2.445229      1.732243      6.299562
  C      -2.760050      1.090753      4.953168
  C      -3.305627      3.530360      7.761715
  C      -2.867225      4.751340      6.974749
  N      -3.756145      4.940394      5.828692
  H      -1.804473      0.806764      4.475899
  H      -3.332965      0.153547      5.096089
  H      -1.669889      2.496914      6.152627
  H      -2.070275      0.993431      7.029079
  H      -2.898084      5.634835      7.638478
  H      -1.812924      4.644777      6.653361
  H      -4.216293      3.772682      8.325566
  H      -2.533715      3.204011      8.479488
  H      -6.772877      1.331007      7.596761
  H      -6.150028      2.929790      8.015553
  H      -4.582792      0.541907      6.890936
  H      -4.340895      1.282105      8.500655
  C      -3.164587      1.969233      2.703477
  C      -3.671341      0.719023      1.955584
  C      -5.113070      0.644892      1.570949
  N      -5.750058      1.769462      1.191716
  C      -7.023228      1.776600      0.677971
  N      -7.710538      0.700207      0.452519
  C      -7.142104     -0.496736      0.818237
  C      -7.863788     -1.681412      0.577802
  C      -7.332052     -2.902971      0.948965
  C      -6.071430     -2.976666      1.578344
  C      -5.333561     -1.833849      1.814385
  C      -5.842547     -0.567628      1.432482
  C      -3.677042      6.276764      5.247698
  C      -2.342641      6.621355      4.547035
  C      -2.176439      5.918933      3.228663
  N      -3.027425      6.284531      2.274841
  C      -2.910777      5.690852      1.061794
  N      -2.016870      4.794041      0.686167
  C      -1.123020      4.405515      1.643800
  C      -0.134811      3.445583      1.309596
  C       0.750453      2.998290      2.267979
  C       0.685403      3.492502      3.592520
  C      -0.252874      4.443286      3.938925
  C      -1.176561      4.927646      2.977445
  C      -7.345841      1.970508      5.230558
  C      -7.166743      0.475546      4.936737
  C      -8.313557     -0.156467      4.195594
  N      -9.149403      0.648872      3.553960
  C     -10.177894      0.072457      2.872641
  N     -10.461860     -1.210474      2.781662
  C      -9.616147     -2.062071      3.437281
  C      -9.857964     -3.456019      3.375151
  C      -9.001397     -4.335231      4.005565
  C      -7.876468     -3.858654      4.718741
  C      -7.623096     -2.504277      4.801041
  C      -8.487092     -1.576429      4.167839
  H      -3.510027      2.882293      2.200751
  H      -2.066599      1.968561      2.581982
  H      -3.394027     -0.184040      2.512063
  H      -3.109457      0.664454      1.003891
  H      -7.429102      2.765259      0.457585
  H      -8.846171     -1.598882      0.113331
  H      -7.897162     -3.817445      0.767624
  H      -5.676721     -3.947142      1.880045
  H      -4.359037     -1.911246      2.294622
  H      -4.490597      6.401697      4.521677
  H      -3.835614      7.019320      6.052409
  H      -2.364598      7.701342      4.334013
  H      -1.494864      6.442936      5.219132
  H      -3.642775      6.004725      0.311047
  H      -0.105239      3.078155      0.282744
  H       1.510333      2.259813      2.006848
  H       1.394233      3.129860      4.338539
  H      -0.276767      4.830135      4.957680
  H      -8.263375      2.120530      5.828448
  H      -7.498976      2.517367      4.292686
  H      -6.242679      0.345081      4.343486
  H      -6.996736     -0.073115      5.875759
  H     -10.838697      0.766308      2.344485
  H     -10.730430     -3.801233      2.818720
  H      -9.191412     -5.408788      3.958271
  H      -7.210333     -4.569411      5.210153
  H      -6.752803     -2.147300      5.352772
  N      -5.440772      4.068608      3.432337
  N      -5.856768      4.378047      2.398109
  H      -5.338531      2.702283      1.367711
89
Coordinates from ORCA-job orca E -6140.487429878752
  N      -3.496032      2.044479      4.113095
  Mo     -4.648783      3.356926      5.043210
  N      -6.194133      2.525834      5.933942
  C      -6.015708      2.081316      7.318546
  C      -4.619252      1.484313      7.451398
  N      -3.649890      2.425387      6.825134
  C      -2.443019      1.734994      6.297147
  C      -2.757891      1.092676      4.951176
  C      -3.305315      3.531301      7.760268
  C      -2.868677      4.753144      6.973571
  N      -3.757426      4.940527      5.827183
  H      -1.802214      0.809958      4.473343
  H      -3.329525      0.154745      5.094390
  H      -1.669186      2.500941      6.148919
  H      -2.066305      0.997162      7.026740
  H      -2.901527      5.636547      7.637318
  H      -1.814105      4.648339      6.652585
  H      -4.216009      3.772135      8.324702
  H      -2.532674      3.205583      8.477550
  H      -6.769384      1.327021      7.596384
  H      -6.148724      2.926304      8.016190
  H      -4.578761      0.541395      6.889061
  H      -4.336403      1.281219      8.498904
  C      -3.165356      1.970186      2.701633
  C      -3.672851      0.719924      1.954212
  C      -5.114703      0.645723      1.570412
  N      -5.752151      1.770406      1.192058
  C      -7.025582      1.777592      0.679217
  N      -7.713172      0.701242      0.454064
  C      -7.144226     -0.495823      0.818823
  C      -7.866127     -1.680427      0.578802
  C      -7.333771     -2.902105      0.948722
  C      -6.072251     -2.975953      1.576267
  C      -5.334252     -1.833147      1.812036
  C      -5.844023     -0.566779      1.431624
  C      -3.679111      6.276446      5.244967
  C      -2.344330      6.621849      4.545405
  C      -2.175877      5.917191      3.228481
  N      -3.027287      6.278994      2.273576
  C      -2.908610      5.683557      1.061613
  N      -2.012621      4.787906      0.688125
  C      -1.118609      4.402942      1.647049
  C      -0.128728      3.443889      1.315239
  C       0.756784      2.999871      2.274896
  C       0.690461      3.496951      3.598310
  C      -0.249437      4.446993      3.942332
  C      -1.173709      4.927682      2.979609
  C      -7.345698      1.968820      5.231886
  C      -7.167183      0.473935      4.937303
  C      -8.314823     -0.157406      4.196913
  N      -9.151013      0.648554      3.556450
  C     -10.180185      0.072893      2.875610
  N     -10.464588     -1.209924      2.784000
  C      -9.618528     -2.062139      3.438373
  C      -9.860692     -3.455989      3.375317
  C      -9.003760     -4.335911      4.004251
  C      -7.878156     -3.860102      4.716879
  C      -7.624461     -2.505843      4.800104
  C      -8.488766     -1.577274      4.168398
  H      -3.511146      2.883306      2.199255
  H      -2.067449      1.969188      2.579429
  H      -3.395191     -0.182942      2.510862
  H      -3.111469      0.665187      1.002216
  H      -7.431978      2.766115      0.459216
  H      -8.849130     -1.597818      0.115660
  H      -7.899009     -3.816579      0.767799
  H      -5.676862     -3.946535      1.876750
  H      -4.359053     -1.910882      2.290830
  H      -4.491763      6.399676      4.517664
  H      -3.839726      7.019654      6.048679
  H      -2.367568      7.701425      4.330432
  H      -1.497033      6.446032      5.218820
  H      -3.640763      5.994563      0.309815
  H      -0.098240      3.074507      0.289114
  H       1.517776      2.261899      2.015599
  H       1.399600      3.137061      4.345369
  H      -0.273910      4.835983      4.960267
  H      -8.262602      2.118832      5.830704
  H      -7.499562      2.515880      4.294250
  H      -6.243439      0.343305      4.343550
  H      -6.996630     -0.075304      5.875920
  H     -10.841191      0.767301      2.348437
  H     -10.733692     -3.800554      2.819321
  H      -9.194001     -5.409395      3.956177
  H      -7.211713     -4.571373      5.207131
  H      -6.753624     -2.149662      5.351497
  N      -5.444106      4.068107      3.432381
  N      -5.862710      4.377968      2.399353
  H      -5.340665      2.702499      1.367595
89
Coordinates from ORCA-job orca E -6140.487430798589
  N      -3.494615      2.044725      4.111387
  Mo     -4.648996      3.355134      5.042388
  N      -6.193355      2.522336      5.933309
  C      -6.014176      2.076734      7.317468
  C      -4.617185      1.480858      7.449231
  N      -3.648928      2.423355      6.823247
  C      -2.441414      1.734252      6.294909
  C      -2.755853      1.092582      4.948521
  C      -3.305049      3.528787      7.759275
  C      -2.869495      4.751586      6.973380
  N      -3.758286      4.938471      5.826996
  H      -1.799994      0.810985      4.470403
  H      -3.326913      0.154182      5.090779
  H      -1.668285      2.500930      6.146824
  H      -2.064177      0.996472      7.024264
  H      -2.903520      5.634609      7.637556
  H      -1.814799      4.647995      6.652444
  H      -4.215775      3.768398      8.324170
  H      -2.531984      3.202996      8.476061
  H      -6.767115      1.321512      7.594753
  H      -6.147814      2.920907      8.016003
  H      -4.576175      0.538459      6.886060
  H      -4.333495      1.277193      8.496386
  C      -3.162793      1.973544      2.700081
  C      -3.667880      0.723989      1.949622
  C      -5.110290      0.646749      1.569054
  N      -5.749724      1.770137      1.189634
  C      -7.023883      1.774922      0.678916
  N      -7.710717      0.697368      0.456898
  C      -7.139890     -0.498399      0.823211
  C      -7.860969     -1.684227      0.586822
  C      -7.326807     -2.904613      0.958464
  C      -6.064272     -2.975832      1.584243
  C      -5.327011     -1.831781      1.816403
  C      -5.838625     -0.566715      1.434047
  C      -3.680999      6.274580      5.244931
  C      -2.346103      6.621310      4.546201
  C      -2.176680      5.917460      3.228930
  N      -3.028738      6.278351      2.274253
  C      -2.908924      5.684092      1.061854
  N      -2.011263      4.790351      0.687729
  C      -1.116815      4.406081      1.646528
  C      -0.125621      3.448570      1.314173
  C       0.760237      3.004902      2.273667
  C       0.692980      3.500971      3.597422
  C      -0.248131      4.449622      3.941958
  C      -1.172872      4.929811      2.979453
  C      -7.346166      1.966912      5.232023
  C      -7.169675      0.471977      4.936488
  C      -8.318721     -0.157316      4.196553
  N      -9.153270      0.650199      3.555862
  C     -10.183534      0.076535      2.875066
  N     -10.470555     -1.205728      2.783655
  C      -9.626339     -2.059497      3.438371
  C      -9.871305     -3.452864      3.375398
  C      -9.016145     -4.334479      4.004363
  C      -7.889623     -3.860842      4.717004
  C      -7.633296     -2.507080      4.800277
  C      -8.495694     -1.576793      4.168516
  H      -3.509832      2.887042      2.199260
  H      -2.064797      1.974245      2.578658
  H      -3.385664     -0.179728      2.502503
  H      -3.108412      0.674940      0.996202
  H      -7.432050      2.762396      0.457499
  H      -8.844817     -1.603611      0.125114
  H      -7.891421     -3.820042      0.780464
  H      -5.667361     -3.945361      1.886136
  H      -4.351021     -1.907732      2.293871
  H      -4.493171      6.397055      4.516972
  H      -3.843093      7.017526      6.048582
  H      -2.369821      7.701000      4.331839
  H      -1.498983      6.445672      5.219875
  H      -3.641439      5.994462      0.310145
  H      -0.094555      3.080081      0.287742
  H       1.522154      2.268036      2.013959
  H       1.402363      3.141374      4.344392
  H      -0.273157      4.837766      4.960203
  H      -8.262372      2.117683      5.831717
  H      -7.500129      2.514481      4.294714
  H      -6.246456      0.340483      4.342131
  H      -6.999156     -0.078124      5.874617
  H     -10.843067      0.772191      2.347690
  H     -10.744943     -3.795687      2.819334
  H      -9.208497     -5.407585      3.956278
  H      -7.224535     -4.573394      5.207233
  H      -6.761684     -2.152770      5.351650
  N      -5.446416      4.066666      3.432156
  N      -5.866742      4.376809      2.400022
  H      -5.338601      2.702817      1.362960
89
Coordinates from ORCA-job orca E -6140.487431644096
  N      -3.494506      2.044713      4.111809
  Mo     -4.648838      3.355034      5.042886
  N      -6.193442      2.522120      5.933372
  C      -6.014480      2.076358      7.317504
  C      -4.617561      1.480384      7.449365
  N      -3.649139      2.422921      6.823613
  C      -2.441630      1.733659      6.295382
  C      -2.755920      1.092297      4.948814
  C      -3.305057      3.528028      7.759975
  C      -2.869208      4.750902      6.974319
  N      -3.757884      4.937933      5.827896
  H      -1.800028      0.810742      4.470743
  H      -3.327103      0.153925      5.090735
  H      -1.668394      2.500270      6.147530
  H      -2.064648      0.995781      7.024758
  H      -2.903247      5.633884      7.638537
  H      -1.814483      4.647251      6.653467
  H      -4.215770      3.767727      8.324852
  H      -2.532118      3.201830      8.476700
  H      -6.767509      1.321164      7.594609
  H      -6.148093      2.920479      8.016112
  H      -4.576519      0.538058      6.886079
  H      -4.333975      1.276591      8.496521
  C      -3.162225      1.974061      2.700570
  C      -3.666452      0.724401      1.949658
  C      -5.108806      0.646441      1.569078
  N      -5.748583      1.769481      1.189096
  C      -7.022719      1.773633      0.678384
  N      -7.709224      0.695760      0.456849
  C      -7.138121     -0.499643      0.823884
  C      -7.858890     -1.685803      0.588158
  C      -7.324486     -2.905836      0.960587
  C      -6.061999     -2.976367      1.586539
  C      -5.325016     -1.831998      1.818044
  C      -5.836865     -0.567283      1.434816
  C      -3.680636      6.274140      5.245961
  C      -2.345866      6.620740      4.546968
  C      -2.177216      5.917786      3.229106
  N      -3.029576      6.279558      2.275040
  C      -2.910251      5.686275      1.062123
  N      -2.012747      4.792829      0.686909
  C      -1.118006      4.407648      1.645065
  C      -0.126917      3.450439      1.311534
  C       0.759179      3.005849      2.270386
  C       0.692222      3.500594      3.594648
  C      -0.248739      4.448975      3.940340
  C      -1.173640      4.930182      2.978481
  C      -7.346257      1.967019      5.231874
  C      -7.169854      0.472163      4.935858
  C      -8.318926     -0.156758      4.195640
  N      -9.152727      0.651006      3.554279
  C     -10.183009      0.077690      2.873228
  N     -10.470748     -1.204439      2.782176
  C      -9.627341     -2.058457      3.437594
  C      -9.873094     -3.451709      3.375042
  C      -9.018723     -4.333594      4.004694
  C      -7.892218     -3.860340      4.717625
  C      -7.635161     -2.506694      4.800536
  C      -8.496748     -1.576135      4.168076
  H      -3.509679      2.887478      2.199893
  H      -2.064208      1.975362      2.579405
  H      -3.383750     -0.179279      2.502339
  H      -3.106841      0.675977      0.996306
  H      -7.431239      2.760845      0.456452
  H      -8.842722     -1.605701      0.126322
  H      -7.888892     -3.821497      0.783124
  H      -5.664892     -3.945603      1.889116
  H      -4.349070     -1.907461      2.295685
  H      -4.492976      6.396814      4.518218
  H      -3.842508      7.016961      6.049764
  H      -2.369079      7.700602      4.333417
  H      -1.498557      6.444092      5.220121
  H      -3.643065      5.997240      0.310953
  H      -0.096167      3.082925      0.284746
  H       1.521051      2.269247      2.009795
  H       1.401732      3.140212      4.341119
  H      -0.273601      4.836075      4.958986
  H      -8.262459      2.117582      5.831649
  H      -7.500218      2.514920      4.294771
  H      -6.246628      0.340818      4.341491
  H      -6.999384     -0.078230      5.873818
  H     -10.841932      0.773518      2.345320
  H     -10.746698     -3.794201      2.818720
  H      -9.211699     -5.406606      3.956959
  H      -7.227716     -4.573079      5.208380
  H      -6.763534     -2.152731      5.352104
  N      -5.446317      4.066329      3.432279
  N      -5.866484      4.375824      2.399927
  H      -5.337717      2.702315      1.362201
