98
Coordinates from ORCA-job orca E -6258.226210984886
  N      -2.928222      1.379318      5.201714
  Mo     -3.630396      3.296959      5.137319
  N      -4.492193      3.008829      6.877966
  C      -3.634476      3.083006      8.037236
  C      -2.247403      2.540945      7.672290
  N      -1.780055      3.164060      6.424840
  C      -0.797404      2.309984      5.742926
  C      -1.527011      1.160572      5.002006
  C      -1.233668      4.503718      6.679727
  C      -1.758416      5.439072      5.579817
  N      -3.172700      5.179307      5.434453
  H      -1.266311      1.177457      3.926396
  H      -1.219887      0.181470      5.399143
  H      -0.268892      2.923073      5.009744
  H      -0.068111      1.918551      6.462951
  H      -1.547402      6.479625      5.846937
  H      -1.243448      5.218286      4.633907
  H      -1.613042      4.867251      7.637801
  H      -0.139736      4.493431      6.716544
  H      -4.031331      2.488110      8.873212
  H      -3.556607      4.127698      8.384654
  H      -2.345955      1.468242      7.493683
  H      -1.531643      2.709507      8.485964
  C      -3.891287      1.054162      4.248425
  C      -4.836937     -0.105577      4.585924
  C      -6.243225      0.143237      4.011398
  C      -6.194205      0.539444      2.562611
  N      -6.106885      1.857180      2.325421
  C      -6.033686      2.247017      1.051610
  N      -6.051730      1.500363     -0.013726
  C      -6.143547      0.154704      0.183251
  C      -6.162621     -0.697081     -0.927703
  C      -6.237351     -2.060689     -0.749632
  C      -6.291281     -2.604171      0.536146
  C      -6.277347     -1.792440      1.644928
  C      -6.208987     -0.392132      1.500359
  C      -4.019552      6.276738      5.832615
  C      -3.948816      7.528888      4.934286
  C      -4.233926      7.228957      3.463962
  C      -5.646525      6.792298      3.193062
  N      -6.525486      6.840466      4.200428
  C      -7.736170      6.349381      3.976315
  N      -8.201950      5.814045      2.877078
  C      -7.370447      5.835281      1.798664
  C      -7.839058      5.366853      0.564178
  C      -7.021022      5.405627     -0.545653
  C      -5.718170      5.894240     -0.445582
  C      -5.227135      6.348172      0.758306
  C      -6.041546      6.338504      1.905754
  C      -5.858323      2.699293      7.184936
  C      -6.706407      3.930605      7.568748
  C      -8.204210      3.626828      7.588842
  C      -8.808837      3.366599      6.234852
  N      -8.025175      3.429362      5.172759
  C      -8.553600      3.165386      3.967932
  N      -9.776915      2.809653      3.716194
  C     -10.632285      2.764724      4.772026
  C     -11.979099      2.426569      4.550929
  C     -12.857811      2.384806      5.602646
  C     -12.425863      2.673651      6.904466
  C     -11.117751      2.998952      7.151994
  C     -10.187589      3.052121      6.094308
  H      -3.496317      0.935154      3.214831
  H      -4.559395      1.981369      4.301196
  H      -4.903881     -0.201561      5.672773
  H      -4.431879     -1.035560      4.180034
  H      -6.859580     -0.746993      4.140094
  H      -6.714152      0.965079      4.560965
  H      -5.951870      3.317164      0.893592
  H      -6.115635     -0.251291     -1.908184
  H      -6.253272     -2.714570     -1.607207
  H      -6.345677     -3.674706      0.659663
  H      -6.319579     -2.225565      2.631996
  H      -5.051322      5.922164      5.820638
  H      -3.772203      6.597108      6.859951
  H      -2.960781      7.985895      5.003373
  H      -4.686084      8.243650      5.300288
  H      -4.026411      8.124434      2.869749
  H      -3.550863      6.443053      3.116649
  H      -8.421830      6.392941      4.816702
  H      -8.848888      4.989618      0.512508
  H      -7.388352      5.050413     -1.495564
  H      -5.089060      5.914683     -1.321953
  H      -4.218359      6.726028      0.821906
  H      -5.922675      1.967199      8.008017
  H      -6.313613      2.251542      6.298648
  H      -6.403608      4.286085      8.554862
  H      -6.512049      4.727167      6.846977
  H      -8.393666      2.756195      8.223492
  H      -8.732139      4.475620      8.033255
  H      -7.878638      3.223101      3.135432
  H     -12.284991      2.214431      3.538632
  H     -13.891980      2.130547      5.430016
  H     -13.133911      2.638364      7.717598
  H     -10.793684      3.222276      8.156017
  N      -2.347890      3.433698      3.442214
  N      -1.594042      3.514072      2.445842
  H      -0.609438      3.589320      2.724353
98
Coordinates from ORCA-job orca E -6258.246909978309
  N      -2.916928      1.396879      5.196488
  Mo     -3.616287      3.321335      5.159385
  N      -4.487976      3.034312      6.896879
  C      -3.619987      3.105362      8.065093
  C      -2.241805      2.547158      7.704726
  N      -1.763964      3.172772      6.444189
  C      -0.777555      2.311087      5.749114
  C      -1.509921      1.172574      4.994057
  C      -1.207872      4.525519      6.700338
  C      -1.713136      5.463324      5.598898
  N      -3.137230      5.201015      5.455355
  H      -1.240230      1.193461      3.921104
  H      -1.212896      0.185682      5.386742
  H      -0.240387      2.932343      5.024059
  H      -0.050139      1.916069      6.474428
  H      -1.502980      6.507130      5.869905
  H      -1.186754      5.248337      4.656004
  H      -1.591690      4.887233      7.662113
  H      -0.110107      4.503574      6.746675
  H      -4.023853      2.514930      8.903369
  H      -3.531748      4.152483      8.416015
  H      -2.345366      1.471953      7.527839
  H      -1.518653      2.712252      8.518466
  C      -3.902263      1.076172      4.242529
  C      -4.859798     -0.077181      4.578763
  C      -6.273158      0.186398      4.014312
  C      -6.232663      0.607023      2.569860
  N      -6.126747      1.922533      2.350019
  C      -6.044329      2.335508      1.066981
  N      -6.074273      1.593904     -0.016692
  C      -6.187752      0.245249      0.171873
  C      -6.220817     -0.605852     -0.951593
  C      -6.316050     -1.972405     -0.780286
  C      -6.378420     -2.529124      0.512252
  C      -6.351995     -1.721373      1.629390
  C      -6.261808     -0.315156      1.490491
  C      -4.008325      6.288011      5.856275
  C      -3.933932      7.520556      4.934698
  C      -4.197086      7.198261      3.459414
  C      -5.605058      6.763650      3.136587
  N      -6.528602      6.836822      4.095636
  C      -7.759528      6.370514      3.813673
  N      -8.182494      5.834575      2.688282
  C      -7.287140      5.820324      1.657645
  C      -7.698129      5.341186      0.396185
  C      -6.814778      5.344839     -0.666143
  C      -5.496839      5.809367     -0.497636
  C      -5.063679      6.271508      0.729593
  C      -5.946989      6.295062      1.833690
  C      -5.869648      2.722634      7.192220
  C      -6.733718      3.942426      7.573356
  C      -8.227088      3.608012      7.604232
  C      -8.855156      3.327054      6.258545
  N      -8.100700      3.410052      5.172625
  C      -8.665060      3.127081      3.973123
  N      -9.898361      2.736027      3.755613
  C     -10.717687      2.668631      4.845439
  C     -12.068894      2.291744      4.671561
  C     -12.913488      2.229053      5.758285
  C     -12.442362      2.535322      7.052276
  C     -11.128752      2.898855      7.252821
  C     -10.234820      2.973683      6.157538
  H      -3.523671      0.974843      3.207243
  H      -4.586503      2.006756      4.301431
  H      -4.919915     -0.185418      5.669939
  H      -4.453330     -1.007392      4.159612
  H      -6.897824     -0.706150      4.140277
  H      -6.735515      1.007090      4.579014
  H      -5.945203      3.414140      0.922573
  H      -6.167273     -0.151984     -1.939376
  H      -6.342636     -2.626763     -1.650235
  H      -6.450424     -3.609370      0.630075
  H      -6.402692     -2.164451      2.622704
  H      -5.042627      5.925047      5.846203
  H      -3.767396      6.613164      6.886497
  H      -2.940491      7.982910      5.011331
  H      -4.676916      8.245017      5.289385
  H      -3.966832      8.087521      2.852215
  H      -3.505065      6.405480      3.133969
  H      -8.490233      6.436205      4.625396
  H      -8.720789      4.983055      0.290375
  H      -7.138270      4.979855     -1.639575
  H      -4.811815      5.802203     -1.344093
  H      -4.042279      6.630048      0.846158
  H      -5.928614      1.985105      8.015280
  H      -6.320549      2.269285      6.300629
  H      -6.432609      4.308540      8.564666
  H      -6.552216      4.743978      6.846183
  H      -8.394979      2.732559      8.251438
  H      -8.773015      4.447814      8.060278
  H      -8.006626      3.215372      3.109534
  H     -12.408083      2.066265      3.661974
  H     -13.955548      1.943801      5.620655
  H     -13.126392      2.482994      7.898075
  H     -10.773542      3.135585      8.254381
  N      -2.405985      3.486974      3.434638
  N      -1.707145      3.586049      2.443006
  H      -0.685930      3.644759      2.687113
98
Coordinates from ORCA-job orca E -6258.255342032458
  N      -2.883154      1.360193      5.212868
  Mo     -3.578570      3.287399      5.178951
  N      -4.461820      3.028124      6.914862
  C      -3.586833      3.106883      8.088973
  C      -2.216137      2.530729      7.738948
  N      -1.728204      3.143646      6.462071
  C      -0.740295      2.270959      5.763941
  C      -1.472842      1.133901      5.007960
  C      -1.164114      4.507652      6.701841
  C      -1.653774      5.435683      5.588213
  N      -3.081734      5.168541      5.451136
  H      -1.196475      1.149008      3.936619
  H      -1.182596      0.145724      5.405258
  H      -0.198635      2.895495      5.041855
  H      -0.014069      1.883520      6.496362
  H      -1.447090      6.483745      5.852651
  H      -1.120318      5.220304      4.648012
  H      -1.551284      4.874829      7.661930
  H      -0.064896      4.472587      6.758101
  H      -4.000491      2.531957      8.934583
  H      -3.489057      4.157740      8.429460
  H      -2.320379      1.452814      7.571746
  H      -1.486840      2.701559      8.548518
  C      -3.886419      1.027770      4.263481
  C      -4.848892     -0.119259      4.616245
  C      -6.262501      0.137330      4.046340
  C      -6.203176      0.536443      2.596293
  N      -6.066067      1.839608      2.355628
  C      -5.938703      2.228449      1.057841
  N      -5.959522      1.461839     -0.017004
  C      -6.110598      0.120566      0.201342
  C      -6.136982     -0.761922     -0.906328
  C      -6.265464     -2.122062     -0.703613
  C      -6.369476     -2.650199      0.606489
  C      -6.350989     -1.813657      1.704935
  C      -6.227620     -0.410084      1.531150
  C      -3.977734      6.239608      5.864310
  C      -3.942566      7.473454      4.945707
  C      -4.254586      7.185898      3.473529
  C      -5.677993      6.769395      3.188585
  N      -6.553847      6.805545      4.185874
  C      -7.821872      6.382704      3.930711
  N      -8.306657      5.931004      2.789522
  C      -7.448343      5.953310      1.725269
  C      -7.924561      5.567124      0.447514
  C      -7.082332      5.610976     -0.646874
  C      -5.735775      6.023068     -0.502707
  C      -5.241494      6.394174      0.734196
  C      -6.084657      6.374960      1.874908
  C      -5.858028      2.732116      7.191335
  C      -6.711632      3.961766      7.552612
  C      -8.206280      3.639645      7.555376
  C      -8.803476      3.370030      6.191940
  N      -8.019099      3.464656      5.126887
  C      -8.562210      3.197768      3.904545
  N      -9.798909      2.814984      3.649354
  C     -10.640664      2.735002      4.725599
  C     -11.993278      2.364229      4.519159
  C     -12.862580      2.290359      5.589954
  C     -12.416484      2.579442      6.902556
  C     -11.101973      2.936885      7.133676
  C     -10.184977      3.021539      6.054233
  H      -3.520444      0.931733      3.227259
  H      -4.594887      1.956973      4.311532
  H      -4.905849     -0.217195      5.710591
  H      -4.436476     -1.054300      4.206228
  H      -6.892247     -0.752443      4.185961
  H      -6.724138      0.969974      4.596873
  H      -5.806403      3.301510      0.897018
  H      -6.050713     -0.333372     -1.907534
  H      -6.286556     -2.799627     -1.560985
  H      -6.468043     -3.729359      0.748113
  H      -6.435076     -2.232709      2.710491
  H      -5.008625      5.858924      5.878861
  H      -3.721641      6.558182      6.893609
  H      -2.949701      7.947764      5.003348
  H      -4.680498      8.188897      5.338022
  H      -4.045674      8.095945      2.883905
  H      -3.574691      6.406330      3.090294
  H      -8.515163      6.415116      4.779186
  H      -8.965454      5.247390      0.360476
  H      -7.455167      5.316832     -1.630938
  H      -5.081890      6.047553     -1.377876
  H      -4.202147      6.715957      0.831000
  H      -5.932890      1.994378      8.014876
  H      -6.298545      2.278926      6.291694
  H      -6.423754      4.331240      8.550413
  H      -6.508648      4.760929      6.824628
  H      -8.399457      2.763740      8.201072
  H      -8.760340      4.480939      8.006121
  H      -7.874957      3.298695      3.056861
  H     -12.315006      2.152159      3.496732
  H     -13.906312      2.009704      5.426475
  H     -13.120165      2.518795      7.736653
  H     -10.766545      3.160050      8.149225
  N      -2.462640      3.466347      3.426141
  N      -1.819563      3.573520      2.427341
  H      -0.766454      3.611652      2.604548
98
Coordinates from ORCA-job orca E -6258.261723983072
  N      -2.908603      1.408149      5.187628
  Mo     -3.577591      3.342092      5.187503
  N      -4.486974      3.083108      6.912154
  C      -3.617329      3.147307      8.096721
  C      -2.256197      2.549038      7.758631
  N      -1.743829      3.163826      6.486235
  C      -0.760386      2.285327      5.778896
  C      -1.497095      1.172293      4.991624
  C      -1.159855      4.522642      6.741838
  C      -1.613408      5.461549      5.624908
  N      -3.041886      5.213272      5.470930
  H      -1.204080      1.202730      3.924841
  H      -1.225726      0.172908      5.374391
  H      -0.202801      2.921494      5.078127
  H      -0.046346      1.882457      6.514991
  H      -1.399687      6.507220      5.895715
  H      -1.066607      5.247735      4.691141
  H      -1.554993      4.884428      7.700744
  H      -0.062330      4.460064      6.818133
  H      -4.050472      2.574998      8.934920
  H      -3.509336      4.193975      8.445337
  H      -2.368725      1.473507      7.580466
  H      -1.527415      2.705099      8.572063
  C      -3.917060      1.095621      4.224311
  C      -4.895646     -0.044888      4.551021
  C      -6.305080      0.225784      3.972070
  C      -6.238938      0.652594      2.527806
  N      -6.102655      1.956147      2.307611
  C      -5.967636      2.368120      1.012169
  N      -5.979751      1.616077     -0.075300
  C      -6.131425      0.272113      0.126258
  C      -6.151505     -0.598043     -0.995316
  C      -6.281551     -1.959726     -0.811773
  C      -6.395245     -2.508556      0.492639
  C      -6.383820     -1.685979      1.601753
  C      -6.257612     -0.279360      1.445716
  C      -3.949337      6.283155      5.870494
  C      -3.887961      7.488291      4.922810
  C      -4.163951      7.136996      3.461292
  C      -5.581848      6.713809      3.162670
  N      -6.481481      6.826417      4.126864
  C      -7.757893      6.415164      3.855233
  N      -8.213925      5.900719      2.729271
  C      -7.315682      5.823567      1.700048
  C      -7.752257      5.341038      0.437848
  C      -6.869160      5.277935     -0.621299
  C      -5.517234      5.678462     -0.459843
  C      -5.063629      6.141728      0.761028
  C      -5.951090      6.228919      1.866278
  C      -5.889782      2.786570      7.176706
  C      -6.754391      4.006180      7.532759
  C      -8.242286      3.655394      7.568047
  C      -8.872528      3.342598      6.228635
  N      -8.124202      3.430904      5.137957
  C      -8.707600      3.120784      3.940153
  N      -9.943722      2.703131      3.732658
  C     -10.743156      2.627517      4.841725
  C     -12.093412      2.217895      4.692667
  C     -12.922649      2.147565      5.795857
  C     -12.438049      2.478849      7.086692
  C     -11.124498      2.874844      7.260899
  C     -10.249770      2.956568      6.145913
  H      -3.550345      1.025050      3.188150
  H      -4.640152      2.024170      4.271414
  H      -4.960938     -0.161543      5.643251
  H      -4.480790     -0.975129      4.130205
  H      -6.936172     -0.665068      4.096893
  H      -6.769495      1.049969      4.533872
  H      -5.838012      3.445101      0.870104
  H      -6.059350     -0.156596     -1.990896
  H      -6.297628     -2.626247     -1.678437
  H      -6.495926     -3.589853      0.617413
  H      -6.476021     -2.118880      2.600865
  H      -4.980413      5.902224      5.872132
  H      -3.711695      6.608047      6.902291
  H      -2.894269      7.961951      4.988736
  H      -4.630183      8.221484      5.275871
  H      -3.932609      8.013320      2.829025
  H      -3.479073      6.337443      3.130824
  H      -8.474386      6.516376      4.677214
  H      -8.796006      5.033435      0.337596
  H      -7.209907      4.909521     -1.592450
  H      -4.830731      5.617879     -1.308297
  H      -4.021119      6.449140      0.872841
  H      -5.956011      2.047665      8.000421
  H      -6.322586      2.325899      6.276656
  H      -6.461219      4.394327      8.522657
  H      -6.572508      4.799682      6.792821
  H      -8.407054      2.790513      8.237381
  H      -8.806269      4.490201      8.020340
  H      -8.050106      3.220769      3.070046
  H     -12.446886      1.973314      3.687685
  H     -13.964244      1.836978      5.676331
  H     -13.109881      2.420239      7.947139
  H     -10.760166      3.129635      8.259160
  N      -2.539035      3.561131      3.431519
  N      -1.931454      3.688385      2.420657
  H      -0.861052      3.687957      2.531945
98
Coordinates from ORCA-job orca E -6258.267374116977
  N      -2.913399      1.410310      5.187247
  Mo     -3.575149      3.339901      5.200981
  N      -4.487392      3.092389      6.928136
  C      -3.617096      3.162446      8.112170
  C      -2.260091      2.555920      7.776849
  N      -1.744412      3.163742      6.501815
  C      -0.765551      2.284584      5.787066
  C      -1.502129      1.178901      4.989720
  C      -1.155550      4.521473      6.754531
  C      -1.599366      5.455813      5.630937
  N      -3.023071      5.211486      5.469186
  H      -1.205746      1.216555      3.923849
  H      -1.232097      0.176934      5.366231
  H      -0.207370      2.928982      5.094843
  H      -0.051692      1.878769      6.521241
  H      -1.388520      6.502998      5.898269
  H      -1.045655      5.240863      4.700764
  H      -1.553253      4.885167      7.710939
  H      -0.059678      4.446718      6.840224
  H      -4.054571      2.595976      8.952206
  H      -3.507521      4.209250      8.457199
  H      -2.371341      1.480302      7.599587
  H      -1.527148      2.713407      8.585791
  C      -3.928603      1.092153      4.229405
  C      -4.896362     -0.056027      4.564763
  C      -6.317218      0.182028      3.999969
  C      -6.285070      0.598881      2.551820
  N      -6.174574      1.901769      2.320259
  C      -6.057360      2.305543      1.021072
  N      -6.065634      1.545192     -0.058327
  C      -6.195067      0.200963      0.155673
  C      -6.212049     -0.678095     -0.958910
  C      -6.318359     -2.038920     -0.764449
  C      -6.411202     -2.580367      0.544114
  C      -6.402598     -1.749295      1.645742
  C      -6.300137     -0.343035      1.477178
  C      -3.945617      6.268176      5.869057
  C      -3.884077      7.483870      4.936103
  C      -4.140787      7.157046      3.466576
  C      -5.551044      6.736817      3.126629
  N      -6.472119      6.805339      4.073725
  C      -7.744064      6.417050      3.747664
  N      -8.173297      5.970782      2.585642
  C      -7.248482      5.935252      1.578016
  C      -7.656966      5.526976      0.281095
  C      -6.749000      5.513757     -0.757032
  C      -5.398119      5.889420     -0.540301
  C      -4.972764      6.277754      0.715258
  C      -5.888010      6.313773      1.799536
  C      -5.888867      2.789677      7.191633
  C      -6.761335      4.002395      7.544455
  C      -8.245402      3.636898      7.586205
  C      -8.882397      3.322400      6.250703
  N      -8.147159      3.439500      5.154503
  C      -8.739791      3.137279      3.959493
  N      -9.968249      2.701878      3.757794
  C     -10.752196      2.592503      4.875005
  C     -12.095011      2.158945      4.734403
  C     -12.910062      2.056412      5.844228
  C     -12.418856      2.378457      7.133856
  C     -11.112277      2.797609      7.299392
  C     -10.252545      2.911711      6.177058
  H      -3.571092      1.034404      3.188773
  H      -4.671811      2.010045      4.268263
  H      -4.949270     -0.170127      5.657316
  H      -4.469400     -0.981691      4.146309
  H      -6.925479     -0.720497      4.144338
  H      -6.791211      1.000671      4.561717
  H      -5.944809      3.382694      0.871614
  H      -6.136750     -0.243284     -1.957734
  H      -6.332121     -2.712106     -1.624732
  H      -6.493861     -3.661203      0.676100
  H      -6.479490     -2.175584      2.647708
  H      -4.970302      5.873690      5.859877
  H      -3.722509      6.581212      6.907562
  H      -2.895786      7.964712      5.020721
  H      -4.630162      8.209624      5.294949
  H      -3.902012      8.045670      2.855447
  H      -3.446149      6.371308      3.125823
  H      -8.477585      6.478793      4.556988
  H      -8.700202      5.237768      0.139055
  H      -7.066583      5.203295     -1.754829
  H      -4.692006      5.867448     -1.372964
  H      -3.931661      6.567265      0.870498
  H      -5.946911      2.050228      8.015163
  H      -6.315022      2.322854      6.292072
  H      -6.469416      4.397162      8.531298
  H      -6.588942      4.794862      6.802024
  H      -8.399189      2.770784      8.255523
  H      -8.817415      4.460880      8.047113
  H      -8.094023      3.268024      3.086256
  H     -12.455245      1.922266      3.731047
  H     -13.945697      1.727523      5.731348
  H     -13.079501      2.294366      7.999412
  H     -10.743573      3.044337      8.296873
  N      -2.631763      3.587874      3.436836
  N      -2.063751      3.730919      2.393454
  H      -0.993560      3.687069      2.433632
98
Coordinates from ORCA-job orca E -6258.270875542576
  N      -2.905106      1.419831      5.179450
  Mo     -3.539269      3.351977      5.197656
  N      -4.486018      3.117240      6.912213
  C      -3.633680      3.181211      8.109913
  C      -2.279392      2.555460      7.797027
  N      -1.734326      3.155633      6.529513
  C      -0.757428      2.265591      5.825295
  C      -1.493332      1.175739      5.006229
  C      -1.130091      4.505904      6.789025
  C      -1.540284      5.444161      5.653904
  N      -2.960582      5.218896      5.467796
  H      -1.175669      1.219393      3.946002
  H      -1.241310      0.167574      5.379810
  H      -0.179030      2.910120      5.149606
  H      -0.060792      1.846015      6.568804
  H      -1.322896      6.489659      5.923007
  H      -0.971573      5.222233      4.733256
  H      -1.540048      4.877076      7.737273
  H      -0.036826      4.409538      6.898154
  H      -4.092811      2.621834      8.944126
  H      -3.517251      4.226749      8.455694
  H      -2.399353      1.481043      7.616962
  H      -1.554852      2.704563      8.614910
  C      -3.907449      1.110763      4.205623
  C      -4.881480     -0.036227      4.523158
  C      -6.286627      0.201499      3.927321
  C      -6.222886      0.602696      2.476552
  N      -6.087161      1.901353      2.232088
  C      -5.939255      2.289989      0.930906
  N      -5.937533      1.518420     -0.139206
  C      -6.091799      0.177769      0.087472
  C      -6.102012     -0.712438     -1.018446
  C      -6.233733     -2.069782     -0.811559
  C      -6.359610     -2.596876      0.500657
  C      -6.359233     -1.754145      1.593669
  C      -6.230759     -0.351109      1.411849
  C      -3.885800      6.275435      5.863569
  C      -3.845098      7.480121      4.915472
  C      -4.156336      7.120969      3.466958
  C      -5.580460      6.702792      3.209160
  N      -6.443182      6.804888      4.200671
  C      -7.731099      6.428628      3.949396
  N      -8.227827      5.968873      2.824090
  C      -7.361206      5.886050      1.777655
  C      -7.841681      5.442721      0.522675
  C      -6.993487      5.375399     -0.552744
  C      -5.633220      5.733912     -0.416468
  C      -5.137851      6.155856      0.796836
  C      -5.990118      6.243915      1.918149
  C      -5.892924      2.819971      7.152419
  C      -6.757990      4.042747      7.483938
  C      -8.244709      3.695308      7.524326
  C      -8.877314      3.362384      6.192412
  N      -8.133396      3.441936      5.101310
  C      -8.722000      3.123192      3.909468
  N      -9.954390      2.711527      3.706330
  C     -10.745631      2.639959      4.817771
  C     -12.091572      2.232245      4.673049
  C     -12.914168      2.168924      5.775555
  C     -12.427328      2.504637      7.061956
  C     -11.117722      2.898614      7.231512
  C     -10.250607      2.973332      6.116303
  H      -3.536364      1.063358      3.169188
  H      -4.656659      2.025909      4.225943
  H      -4.956538     -0.147709      5.614123
  H      -4.446627     -0.964054      4.117589
  H      -6.900497     -0.697204      4.069851
  H      -6.767905      1.027666      4.471493
  H      -5.809209      3.364326      0.771916
  H      -6.002174     -0.288674     -2.020480
  H      -6.242547     -2.751984     -1.664740
  H      -6.462516     -3.675208      0.641382
  H      -6.463501     -2.169048      2.598646
  H      -4.908676      5.873979      5.867339
  H      -3.657067      6.595248      6.898710
  H      -2.855579      7.962065      4.962480
  H      -4.577736      8.214159      5.284795
  H      -3.938112      7.989751      2.821598
  H      -3.480769      6.322119      3.118627
  H      -8.413991      6.520229      4.794204
  H      -8.891035      5.167885      0.443358
  H      -7.365112      5.036450     -1.518079
  H      -4.975718      5.670194     -1.278417
  H      -4.089872      6.429600      0.890393
  H      -5.967412      2.083428      7.977010
  H      -6.306521      2.351823      6.246599
  H      -6.468344      4.451538      8.465803
  H      -6.573938      4.821701      6.730072
  H      -8.415167      2.846082      8.210208
  H      -8.807692      4.533043      7.968613
  H      -8.067708      3.210354      3.042475
  H     -12.448630      1.984187      3.672416
  H     -13.952524      1.860953      5.659434
  H     -13.094056      2.451992      7.921600
  H     -10.753327      3.157192      8.226581
  N      -2.641992      3.618495      3.445781
  N      -2.085609      3.782875      2.396340
  H      -1.025081      3.672204      2.423315
98
Coordinates from ORCA-job orca E -6258.274127339730
  N      -2.920950      1.424767      5.189857
  Mo     -3.525741      3.356982      5.203664
  N      -4.494715      3.143728      6.914296
  C      -3.655802      3.206072      8.118768
  C      -2.306110      2.561725      7.820257
  N      -1.741151      3.148643      6.558079
  C      -0.771533      2.245003      5.864295
  C      -1.511035      1.166613      5.034689
  C      -1.122432      4.489617      6.819145
  C      -1.506325      5.427995      5.674146
  N      -2.921163      5.222266      5.464663
  H      -1.180181      1.210850      3.978448
  H      -1.272703      0.155308      5.408308
  H      -0.177630      2.883847      5.198319
  H      -0.088357      1.812670      6.612622
  H      -1.281028      6.472326      5.940632
  H      -0.926707      5.193943      4.762874
  H      -1.540508      4.872938      7.758495
  H      -0.033447      4.374807      6.946646
  H      -4.129025      2.655778      8.950983
  H      -3.530679      4.251158      8.461844
  H      -2.437105      1.488308      7.642089
  H      -1.585708      2.705398      8.642370
  C      -3.912580      1.118223      4.209254
  C      -4.883637     -0.031300      4.525002
  C      -6.287664      0.196275      3.928610
  C      -6.235716      0.592942      2.476966
  N      -6.116750      1.893593      2.230812
  C      -5.989139      2.280670      0.931629
  N      -5.990752      1.509597     -0.135621
  C      -6.128927      0.168155      0.090253
  C      -6.145676     -0.718861     -1.015234
  C      -6.264207     -2.076591     -0.809727
  C      -6.370548     -2.604221      0.500095
  C      -6.364061     -1.763414      1.593775
  C      -6.247641     -0.361251      1.413935
  C      -3.848025      6.283342      5.842604
  C      -3.808590      7.492125      4.898058
  C      -4.117628      7.142862      3.445816
  C      -5.547361      6.735490      3.174992
  N      -6.425012      6.833432      4.162367
  C      -7.717505      6.478986      3.892817
  N      -8.213010      6.046392      2.751678
  C      -7.332073      5.956204      1.711098
  C      -7.806877      5.526929      0.444337
  C      -6.941109      5.449636     -0.623881
  C      -5.574664      5.791155     -0.468860
  C      -5.086285      6.202633      0.756667
  C      -5.951139      6.292492      1.872327
  C      -5.898783      2.839839      7.141288
  C      -6.766753      4.062057      7.464988
  C      -8.250173      3.704546      7.524798
  C      -8.892320      3.357325      6.202497
  N      -8.161798      3.459626      5.100203
  C      -8.756735      3.135772      3.914912
  N      -9.983468      2.696429      3.729123
  C     -10.762715      2.591531      4.852447
  C     -12.101531      2.141699      4.726092
  C     -12.908806      2.041810      5.842050
  C     -12.413781      2.383596      7.122370
  C     -11.111088      2.819845      7.273979
  C     -10.259028      2.930718      6.145547
  H      -3.534451      1.074479      3.173733
  H      -4.663374      2.027606      4.207569
  H      -4.961272     -0.138575      5.615974
  H      -4.444996     -0.960671      4.128218
  H      -6.895079     -0.705368      4.078323
  H      -6.772964      1.021123      4.471565
  H      -5.874781      3.355266      0.771462
  H      -6.062664     -0.293416     -2.015623
  H      -6.278524     -2.757514     -1.662305
  H      -6.463854     -3.681873      0.638999
  H      -6.454319     -2.179291      2.597256
  H      -4.869479      5.878963      5.837797
  H      -3.631115      6.603946      6.880526
  H      -2.820457      7.975288      4.951871
  H      -4.541221      8.224929      5.267645
  H      -3.890727      8.011884      2.804592
  H      -3.443596      6.343985      3.095010
  H      -8.408413      6.569905      4.735207
  H      -8.864206      5.268453      0.349546
  H      -7.306720      5.119219     -1.598762
  H      -4.905567      5.722488     -1.326087
  H      -4.034127      6.467337      0.863758
  H      -5.977931      2.104258      7.965787
  H      -6.303441      2.368033      6.232878
  H      -6.470180      4.483788      8.438237
  H      -6.594325      4.833267      6.699986
  H      -8.406276      2.859383      8.219028
  H      -8.816470      4.539721      7.970571
  H      -8.113498      3.243371      3.036960
  H     -12.465450      1.889256      3.729642
  H     -13.941620      1.699396      5.740574
  H     -13.068373      2.301282      7.992911
  H     -10.740323      3.081056      8.265302
  N      -2.675608      3.624057      3.460418
  N      -2.132055      3.802802      2.398744
  H      -1.093733      3.629752      2.420775
98
Coordinates from ORCA-job orca E -6258.276156789862
  N      -2.938479      1.429231      5.187688
  Mo     -3.520185      3.361781      5.203754
  N      -4.491446      3.160330      6.919126
  C      -3.654987      3.217406      8.122973
  C      -2.311661      2.559329      7.821494
  N      -1.740828      3.139297      6.560648
  C      -0.781653      2.223899      5.869726
  C      -1.531338      1.155153      5.038405
  C      -1.107885      4.471090      6.824110
  C      -1.481432      5.414780      5.681568
  N      -2.894890      5.224544      5.466227
  H      -1.198869      1.199246      3.983079
  H      -1.301987      0.140969      5.409520
  H      -0.177814      2.854069      5.205557
  H      -0.106195      1.778554      6.617054
  H      -1.245087      6.456539      5.949040
  H      -0.903176      5.173484      4.771683
  H      -1.524534      4.861780      7.761044
  H      -0.022286      4.345105      6.955482
  H      -4.130813      2.672848      8.956362
  H      -3.517417      4.261400      8.465486
  H      -2.456475      1.487539      7.644070
  H      -1.588511      2.694796      8.642992
  C      -3.923499      1.126116      4.204373
  C      -4.888259     -0.030853      4.515916
  C      -6.284061      0.185615      3.900206
  C      -6.207055      0.570536      2.448019
  N      -6.071953      1.870276      2.199228
  C      -5.915989      2.250665      0.902532
  N      -5.899181      1.475936     -0.161430
  C      -6.051123      0.135948      0.065106
  C      -6.047215     -0.753053     -1.036884
  C      -6.179812     -2.109794     -0.829170
  C      -6.320682     -2.630933      0.479397
  C      -6.333714     -1.787367      1.570980
  C      -6.203620     -0.387242      1.389788
  C      -3.815706      6.288224      5.841464
  C      -3.795096      7.494198      4.892133
  C      -4.141866      7.144228      3.446749
  C      -5.580489      6.744137      3.211149
  N      -6.438376      6.851562      4.219501
  C      -7.735918      6.506606      3.984911
  N      -8.260140      6.074364      2.859964
  C      -7.401477      5.964318      1.798788
  C      -7.903901      5.521826      0.550268
  C      -7.058019      5.419056     -0.537823
  C      -5.686921      5.748709     -0.419352
  C      -5.171150      6.174517      0.788652
  C      -6.014274      6.291329      1.923059
  C      -5.893464      2.850199      7.134339
  C      -6.758206      4.077596      7.450790
  C      -8.244079      3.731969      7.514852
  C      -8.880003      3.377032      6.192107
  N      -8.140180      3.462992      5.095851
  C      -8.725040      3.136859      3.907917
  N      -9.953751      2.712445      3.713624
  C     -10.744273      2.623223      4.828129
  C     -12.084732      2.189953      4.689320
  C     -12.902723      2.107141      5.796958
  C     -12.416264      2.449967      7.079767
  C     -11.111774      2.869877      7.243824
  C     -10.248345      2.963499      6.124754
  H      -3.539196      1.084241      3.169556
  H      -4.671035      2.031780      4.188897
  H      -4.978110     -0.131778      5.606818
  H      -4.440680     -0.961079      4.131403
  H      -6.891600     -0.716478      4.047376
  H      -6.779558      1.013853      4.428654
  H      -5.790044      3.323798      0.740358
  H      -5.937701     -0.331109     -2.036804
  H      -6.178519     -2.793513     -1.679447
  H      -6.424970     -3.707446      0.620156
  H      -6.450248     -2.199368      2.574255
  H      -4.836348      5.881392      5.850140
  H      -3.588972      6.617602      6.874055
  H      -2.804806      7.974282      4.922116
  H      -4.517362      8.228584      5.277230
  H      -3.925449      8.010240      2.797591
  H      -3.481299      6.340570      3.082455
  H      -8.407748      6.606626      4.844047
  H      -8.963534      5.270292      0.484008
  H      -7.444294      5.074856     -1.498035
  H      -5.033530      5.657608     -1.290826
  H      -4.113262      6.427618      0.868285
  H      -5.986163      2.111827      7.954938
  H      -6.290734      2.384015      6.219815
  H      -6.454141      4.507789      8.417598
  H      -6.585066      4.839621      6.676841
  H      -8.408468      2.896364      8.218296
  H      -8.804359      4.577468      7.948551
  H      -8.074906      3.231245      3.034274
  H     -12.441458      1.936479      3.690304
  H     -13.936972      1.778195      5.686449
  H     -13.079579      2.381956      7.942844
  H     -10.747853      3.133252      8.237432
  N      -2.712376      3.634854      3.451159
  N      -2.198663      3.821577      2.368146
  H      -1.175498      3.566552      2.357861
98
Coordinates from ORCA-job orca E -6258.277657076113
  N      -2.962503      1.445008      5.192255
  Mo     -3.512339      3.379895      5.202549
  N      -4.496938      3.201235      6.918089
  C      -3.669260      3.254288      8.126347
  C      -2.335382      2.571849      7.832723
  N      -1.747558      3.137537      6.572627
  C      -0.798051      2.203553      5.893316
  C      -1.558582      1.146473      5.057735
  C      -1.093733      4.457848      6.839917
  C      -1.443491      5.405823      5.694891
  N      -2.856744      5.236657      5.468028
  H      -1.217412      1.185337      4.004726
  H      -1.347517      0.128919      5.430388
  H      -0.175496      2.819999      5.233395
  H      -0.138576      1.745405      6.647331
  H      -1.192491      6.444331      5.962509
  H      -0.862679      5.152996      4.789272
  H      -1.512443      4.858467      7.772051
  H      -0.011850      4.313964      6.981819
  H      -4.156053      2.721187      8.961056
  H      -3.515801      4.297513      8.464804
  H      -2.499627      1.502168      7.659245
  H      -1.613141      2.697339      8.656705
  C      -3.939150      1.145534      4.200074
  C      -4.902779     -0.014926      4.506259
  C      -6.295536      0.184962      3.874079
  C      -6.208897      0.554188      2.418110
  N      -6.083021      1.852797      2.157456
  C      -5.921301      2.222541      0.858929
  N      -5.887933      1.437312     -0.197721
  C      -6.030409      0.098216      0.040103
  C      -6.009025     -0.801298     -1.052946
  C      -6.134305     -2.157208     -0.832960
  C      -6.285536     -2.665739      0.479078
  C      -6.314644     -1.811879      1.562633
  C      -6.191321     -0.412785      1.369548
  C      -3.768852      6.304471      5.839470
  C      -3.739569      7.504571      4.886115
  C      -4.100549      7.152243      3.444374
  C      -5.539268      6.749464      3.224514
  N      -6.376852      6.827902      4.249539
  C      -7.673561      6.481894      4.027566
  N      -8.216504      6.073782      2.900763
  C      -7.378346      5.987892      1.825191
  C      -7.901665      5.568178      0.576763
  C      -7.079882      5.496833     -0.527422
  C      -5.710111      5.829999     -0.423897
  C      -5.171430      6.228684      0.785755
  C      -5.992624      6.318782      1.935767
  C      -5.899222      2.881387      7.114516
  C      -6.775299      4.106720      7.412788
  C      -8.260949      3.755347      7.489900
  C      -8.906855      3.371224      6.178060
  N      -8.179832      3.443382      5.072223
  C      -8.776025      3.092186      3.896049
  N     -10.004691      2.655623      3.721189
  C     -10.782609      2.579511      4.844771
  C     -12.121976      2.132750      4.726938
  C     -12.927068      2.060340      5.845449
  C     -12.427892      2.427740      7.117845
  C     -11.123808      2.861711      7.261341
  C     -10.273136      2.944954      6.131094
  H      -3.542762      1.100419      3.170186
  H      -4.680315      2.050545      4.162438
  H      -5.004501     -0.107524      5.596907
  H      -4.445098     -0.945953      4.136261
  H      -6.897870     -0.719974      4.026082
  H      -6.802997      1.014894      4.388129
  H      -5.805120      3.295756      0.687602
  H      -5.892614     -0.388513     -2.056004
  H      -6.119680     -2.849295     -1.676571
  H      -6.384505     -3.741506      0.629588
  H      -6.438358     -2.214666      2.568759
  H      -4.791873      5.903006      5.848846
  H      -3.543000      6.639589      6.870632
  H      -2.743939      7.974447      4.906329
  H      -4.452398      8.246166      5.275671
  H      -3.891208      8.017057      2.791795
  H      -3.444608      6.347390      3.074035
  H      -8.328783      6.556139      4.900040
  H      -8.959350      5.313230      0.522439
  H      -7.483831      5.172785     -1.488728
  H      -5.076203      5.762869     -1.306939
  H      -4.113562      6.481877      0.854310
  H      -6.002340      2.144129      7.935008
  H      -6.282213      2.411927      6.195283
  H      -6.467055      4.557302      8.369359
  H      -6.610642      4.854736      6.623567
  H      -8.418133      2.933857      8.211769
  H      -8.822171      4.607786      7.909130
  H      -8.137169      3.173968      3.013754
  H     -12.488197      1.859897      3.735411
  H     -13.960439      1.720229      5.751691
  H     -13.081176      2.367292      7.989508
  H     -10.749983      3.143908      8.247073
  N      -2.740660      3.655247      3.446855
  N      -2.262450      3.840740      2.345399
  H      -1.259479      3.521779      2.286947
98
Coordinates from ORCA-job orca E -6258.279077189319
  N      -2.975089      1.449246      5.208303
  Mo     -3.497899      3.384884      5.204680
  N      -4.489661      3.232526      6.923101
  C      -3.669425      3.283482      8.133654
  C      -2.344365      2.579528      7.846249
  N      -1.744528      3.129587      6.584109
  C      -0.803351      2.175961      5.922076
  C      -1.575035      1.124830      5.089527
  C      -1.072632      4.440262      6.850829
  C      -1.405982      5.389922      5.702972
  N      -2.820790      5.236951      5.472400
  H      -1.227503      1.152003      4.037782
  H      -1.381926      0.106532      5.468987
  H      -0.162882      2.773436      5.261605
  H      -0.160089      1.710171      6.685437
  H      -1.140693      6.425578      5.967588
  H      -0.828300      5.123835      4.798857
  H      -1.490887      4.851421      7.778864
  H       0.006625      4.283909      6.998245
  H      -4.163805      2.763043      8.972050
  H      -3.500204      4.326266      8.465362
  H      -2.528041      1.512031      7.679593
  H      -1.622196      2.697244      8.671250
  C      -3.941690      1.146753      4.207183
  C      -4.899447     -0.019287      4.508979
  C      -6.288182      0.166463      3.860794
  C      -6.188950      0.537490      2.405273
  N      -6.074411      1.838891      2.148862
  C      -5.906504      2.213358      0.853286
  N      -5.854589      1.430240     -0.205147
  C      -5.984480      0.089431      0.027739
  C      -5.942946     -0.807628     -1.066022
  C      -6.057729     -2.165317     -0.850176
  C      -6.218485     -2.676794      0.458593
  C      -6.266359     -1.825953      1.543519
  C      -6.153359     -0.425596      1.355414
  C      -3.725633      6.311167      5.834038
  C      -3.707311      7.492598      4.855712
  C      -4.110011      7.120640      3.428703
  C      -5.559553      6.743525      3.244490
  N      -6.377513      6.858731      4.282897
  C      -7.689669      6.551416      4.091013
  N      -8.267837      6.149477      2.982621
  C      -7.448649      6.020123      1.894161
  C      -8.006595      5.599010      0.665044
  C      -7.204926      5.485622     -0.453169
  C      -5.821923      5.778866     -0.382584
  C      -5.249755      6.180119      0.807688
  C      -6.048134      6.309696      1.972499
  C      -5.890412      2.898901      7.098165
  C      -6.775374      4.118382      7.398171
  C      -8.260639      3.765697      7.473138
  C      -8.900361      3.387000      6.157899
  N      -8.170470      3.469997      5.054400
  C      -8.762269      3.133563      3.873933
  N      -9.990869      2.701953      3.691182
  C     -10.771511      2.613696      4.811715
  C     -12.109944      2.171503      4.685930
  C     -12.917521      2.085272      5.802416
  C     -12.421388      2.434315      7.079902
  C     -11.118420      2.864227      7.231147
  C     -10.264889      2.961338      6.103549
  H      -3.529998      1.092600      3.183458
  H      -4.673031      2.049922      4.145111
  H      -5.014153     -0.103965      5.599055
  H      -4.430485     -0.949309      4.151834
  H      -6.883794     -0.743703      4.006853
  H      -6.809535      0.991691      4.367996
  H      -5.803455      3.288820      0.685075
  H      -5.820152     -0.392341     -2.066513
  H      -6.027588     -2.855165     -1.694890
  H      -6.309635     -3.753455      0.606707
  H      -6.396659     -2.231347      2.547047
  H      -4.749545      5.911866      5.864237
  H      -3.487686      6.671599      6.853968
  H      -2.704987      7.947197      4.838910
  H      -4.400218      8.249882      5.251738
  H      -3.898684      7.970765      2.756998
  H      -3.479217      6.295824      3.058899
  H      -8.330151      6.656793      4.972030
  H      -9.075452      5.377964      0.635510
  H      -7.636417      5.161741     -1.400131
  H      -5.205094      5.681574     -1.276244
  H      -4.182727      6.402671      0.849713
  H      -6.005758      2.151995      7.908261
  H      -6.260287      2.439941      6.167983
  H      -6.465181      4.569433      8.353161
  H      -6.613521      4.866178      6.608868
  H      -8.418957      2.943725      8.192344
  H      -8.822749      4.619429      7.889641
  H      -8.122515      3.220952      2.992504
  H     -12.472951      1.912808      3.690839
  H     -13.949913      1.747996      5.702869
  H     -13.076510      2.362601      7.949862
  H     -10.746535      3.132403      8.220303
  N      -2.747488      3.652591      3.440857
  N      -2.314246      3.826428      2.320625
  H      -1.342143      3.448975      2.211686
98
Coordinates from ORCA-job orca E -6258.280296391037
  N      -3.007695      1.460553      5.212707
  Mo     -3.506195      3.399185      5.204128
  N      -4.494353      3.269238      6.927542
  C      -3.673530      3.313580      8.136138
  C      -2.361029      2.586233      7.847878
  N      -1.755172      3.123948      6.581239
  C      -0.825087      2.151815      5.929956
  C      -1.612857      1.108545      5.101866
  C      -1.064130      4.425481      6.848595
  C      -1.388452      5.381100      5.704360
  N      -2.807279      5.243953      5.479306
  H      -1.263592      1.123434      4.050373
  H      -1.439366      0.088639      5.486577
  H      -0.170730      2.732210      5.267812
  H      -0.194921      1.680078      6.700446
  H      -1.109124      6.412923      5.969091
  H      -0.819949      5.107844      4.797150
  H      -1.475069      4.840269      7.778157
  H       0.013565      4.256135      6.992824
  H      -4.173218      2.805544      8.978864
  H      -3.485733      4.354848      8.462391
  H      -2.565385      1.521931      7.684879
  H      -1.633773      2.692785      8.670072
  C      -3.973187      1.156925      4.206335
  C      -4.928662     -0.009962      4.505680
  C      -6.309138      0.170121      3.838934
  C      -6.188832      0.537139      2.383525
  N      -6.066264      1.837821      2.124480
  C      -5.879446      2.208796      0.829346
  N      -5.811100      1.421432     -0.226142
  C      -5.944764      0.081306      0.010558
  C      -5.883727     -0.821579     -1.078342
  C      -6.002970     -2.178867     -0.858453
  C      -6.187519     -2.685376      0.450098
  C      -6.253957     -1.829643      1.530194
  C      -6.136860     -0.429063      1.337692
  C      -3.702918      6.325953      5.843094
  C      -3.686253      7.501117      4.854734
  C      -4.100738      7.129478      3.431209
  C      -5.552089      6.756931      3.244452
  N      -6.370332      6.855445      4.284766
  C      -7.680866      6.544800      4.088850
  N      -8.255210      6.150056      2.973962
  C      -7.434580      6.033556      1.884314
  C      -7.985520      5.611452      0.650772
  C      -7.181600      5.510103     -0.467832
  C      -5.804102      5.820097     -0.395159
  C      -5.239265      6.221408      0.799296
  C      -6.038630      6.334209      1.966413
  C      -5.893019      2.924075      7.091146
  C      -6.786147      4.134279      7.401997
  C      -8.267134      3.770019      7.489618
  C      -8.908985      3.375906      6.179961
  N      -8.181610      3.448235      5.074948
  C      -8.776042      3.097944      3.899754
  N     -10.005359      2.663495      3.722652
  C     -10.781830      2.584035      4.845886
  C     -12.119864      2.138145      4.727619
  C     -12.923819      2.061604      5.846313
  C     -12.424271      2.423404      7.119344
  C     -11.121739      2.856706      7.263474
  C     -10.271855      2.944667      6.133075
  H      -3.550811      1.093122      3.186370
  H      -4.694093      2.062257      4.128854
  H      -5.057834     -0.086500      5.594804
  H      -4.452072     -0.940140      4.159894
  H      -6.904583     -0.740885      3.979653
  H      -6.838616      0.996222      4.335680
  H      -5.775229      3.284417      0.658279
  H      -5.742592     -0.410821     -2.078937
  H      -5.957620     -2.872053     -1.699985
  H      -6.282355     -3.761871      0.602224
  H      -6.402307     -2.230715      2.533658
  H      -4.729112      5.933334      5.888238
  H      -3.454174      6.697483      6.856803
  H      -2.678397      7.943745      4.823838
  H      -4.367550      8.267497      5.254104
  H      -3.887614      7.978632      2.759745
  H      -3.474631      6.301865      3.058923
  H      -8.324707      6.637090      4.969689
  H      -9.050099      5.378551      0.619757
  H      -7.608035      5.185828     -1.418290
  H      -5.184818      5.734980     -1.290037
  H      -4.176648      6.454446      0.842867
  H      -6.009928      2.165687      7.890669
  H      -6.257415      2.476538      6.152855
  H      -6.469089      4.588498      8.353231
  H      -6.637157      4.882822      6.610127
  H      -8.415847      2.952632      8.216434
  H      -8.832719      4.624814      7.898754
  H      -8.140176      3.176514      3.015572
  H     -12.485039      1.869467      3.735785
  H     -13.955979      1.721603      5.752270
  H     -13.076462      2.359213      7.991201
  H     -10.746954      3.135240      8.248781
  N      -2.782002      3.659066      3.420983
  N      -2.409933      3.819902      2.276926
  H      -1.468908      3.383695      2.093011
98
Coordinates from ORCA-job orca E -6258.281377150372
  N      -3.037583      1.467641      5.227962
  Mo     -3.492494      3.411353      5.196303
  N      -4.495342      3.330458      6.914341
  C      -3.686204      3.372120      8.128389
  C      -2.391083      2.604181      7.859877
  N      -1.760799      3.110339      6.589456
  C      -0.846277      2.104566      5.968650
  C      -1.652428      1.071707      5.145465
  C      -1.039271      4.397415      6.851704
  C      -1.337656      5.353410      5.700533
  N      -2.758937      5.243622      5.474646
  H      -1.289246      1.061019      4.098626
  H      -1.515219      0.052563      5.546595
  H      -0.165663      2.654922      5.308075
  H      -0.243176      1.628143      6.757558
  H      -1.037207      6.380593      5.959761
  H      -0.776609      5.061090      4.795410
  H      -1.444643      4.826707      7.776753
  H       0.033827      4.203801      7.000778
  H      -4.205372      2.890689      8.975282
  H      -3.472734      4.412689      8.440365
  H      -2.625902      1.544604      7.707297
  H      -1.665057      2.698896      8.684376
  C      -3.993263      1.158616      4.209353
  C      -4.952762     -0.003626      4.508056
  C      -6.322358      0.168135      3.818119
  C      -6.183728      0.533328      2.363916
  N      -6.076738      1.834945      2.103105
  C      -5.882222      2.205077      0.809301
  N      -5.787729      1.416217     -0.242926
  C      -5.901806      0.075396     -0.003720
  C      -5.810756     -0.830024     -1.088535
  C      -5.911184     -2.187969     -0.866611
  C      -6.106573     -2.693821      0.440436
  C      -6.202074     -1.836052      1.516442
  C      -6.104224     -0.434324      1.321419
  C      -3.637010      6.340199      5.836244
  C      -3.626057      7.500547      4.828339
  C      -4.084126      7.115334      3.423627
  C      -5.544558      6.764627      3.276544
  N      -6.334266      6.874982      4.337124
  C      -7.652543      6.582447      4.173515
  N      -8.258640      6.192978      3.074056
  C      -7.467087      6.060133      1.966198
  C      -8.051276      5.636151      0.749275
  C      -7.275654      5.517060     -0.386087
  C      -5.894228      5.812785     -0.348102
  C      -5.298091      6.215550      0.829075
  C      -6.067735      6.344554      2.012798
  C      -5.893033      2.975454      7.051930
  C      -6.798062      4.178962      7.356642
  C      -8.274698      3.802807      7.449946
  C      -8.917503      3.394385      6.144757
  N      -8.196856      3.473553      5.034736
  C      -8.794025      3.112022      3.864796
  N     -10.020623      2.662551      3.696083
  C     -10.789230      2.573462      4.825161
  C     -12.122918      2.106697      4.717755
  C     -12.918094      2.018757      5.842222
  C     -12.414415      2.390203      7.110875
  C     -11.116551      2.844358      7.244469
  C     -10.275362      2.943718      6.107854
  H      -3.548639      1.072864      3.199975
  H      -4.695796      2.068372      4.098895
  H      -5.102120     -0.065777      5.595433
  H      -4.469820     -0.937183      4.182028
  H      -6.914659     -0.745819      3.951936
  H      -6.863468      0.992372      4.304928
  H      -5.795167      3.281279      0.635906
  H      -5.661921     -0.420402     -2.088310
  H      -5.842421     -2.882098     -1.705568
  H      -6.186524     -3.770737      0.594933
  H      -6.357959     -2.235988      2.518948
  H      -4.665791      5.959489      5.907928
  H      -3.366618      6.728833      6.837634
  H      -2.610195      7.919572      4.760300
  H      -4.279333      8.287370      5.234208
  H      -3.872742      7.950999      2.735247
  H      -3.481891      6.271472      3.048905
  H      -8.274803      6.685628      5.067881
  H      -9.117948      5.414980      0.745531
  H      -7.727149      5.190623     -1.323294
  H      -5.296061      5.715086     -1.256020
  H      -4.232062      6.435608      0.846183
  H      -6.020275      2.209122      7.842663
  H      -6.239881      2.534491      6.103441
  H      -6.481508      4.642349      8.304094
  H      -6.656929      4.923926      6.559051
  H      -8.414608      2.989922      8.183595
  H      -8.846007      4.656983      7.851670
  H      -8.164987      3.195978      2.974518
  H     -12.491180      1.830561      3.728871
  H     -13.946693      1.661851      5.756413
  H     -13.059541      2.316665      7.987649
  H     -10.737884      3.129633      8.226472
  N      -2.788178      3.640629      3.403135
  N      -2.491173      3.781450      2.235198
  H      -1.589720      3.325808      1.976877
98
Coordinates from ORCA-job orca E -6258.282125885125
  N      -3.041518      1.467643      5.232529
  Mo     -3.484846      3.414825      5.192352
  N      -4.493664      3.359457      6.901199
  C      -3.687701      3.399809      8.118482
  C      -2.402308      2.613224      7.864031
  N      -1.759226      3.103501      6.590227
  C      -0.849298      2.082908      5.985232
  C      -1.661340      1.052199      5.165649
  C      -1.025637      4.387696      6.847063
  C      -1.317250      5.339491      5.690646
  N      -2.741282      5.239004      5.472097
  H      -1.288895      1.024718      4.122354
  H      -1.544002      0.035429      5.578828
  H      -0.158947      2.622441      5.325672
  H      -0.257575      1.612252      6.785856
  H      -1.009822      6.366193      5.944160
  H      -0.762344      5.038592      4.785072
  H      -1.425702      4.819992      7.772713
  H       0.045908      4.183273      6.993496
  H      -4.219257      2.933968      8.966143
  H      -3.463398      4.440080      8.421913
  H      -2.648415      1.555772      7.714610
  H      -1.676389      2.703041      8.689009
  C      -3.996982      1.148500      4.210269
  C      -4.956113     -0.010705      4.515892
  C      -6.324488      0.149038      3.819470
  C      -6.190267      0.514077      2.364605
  N      -6.118814      1.814788      2.095847
  C      -5.934185      2.181558      0.798637
  N      -5.817648      1.388850     -0.248406
  C      -5.893830      0.047797      0.000876
  C      -5.775723     -0.863517     -1.078276
  C      -5.836404     -2.221029     -0.847399
  C      -6.018231     -2.724303      0.463450
  C      -6.140404     -1.861116      1.532578
  C      -6.083181     -0.458611      1.327004
  C      -3.608174      6.346878      5.835955
  C      -3.589567      7.495411      4.814644
  C      -4.065960      7.097837      3.421808
  C      -5.535710      6.783681      3.293553
  N      -6.309924      6.930156      4.358700
  C      -7.644210      6.680258      4.206763
  N      -8.274572      6.301516      3.116130
  C      -7.496862      6.135440      2.004814
  C      -8.109210      5.725243      0.795235
  C      -7.348152      5.574964     -0.342942
  C      -5.951752      5.824694     -0.317224
  C      -5.329781      6.212574      0.851394
  C      -6.085420      6.372446      2.037668
  C      -5.890262      2.992754      7.028574
  C      -6.809556      4.179538      7.351455
  C      -8.280721      3.782618      7.438620
  C      -8.921031      3.388827      6.128632
  N      -8.202573      3.493910      5.018740
  C      -8.800694      3.152380      3.843839
  N     -10.024789      2.702178      3.668733
  C     -10.789012      2.588299      4.799318
  C     -12.120561      2.122835      4.686719
  C     -12.912839      2.011981      5.810578
  C     -12.408971      2.358702      7.085215
  C     -11.113687      2.811085      7.223640
  C     -10.276024      2.933684      6.087032
  H      -3.541647      1.048923      3.207143
  H      -4.694769      2.062025      4.085653
  H      -5.111630     -0.064871      5.602845
  H      -4.467135     -0.944820      4.199287
  H      -6.907240     -0.771556      3.952918
  H      -6.875109      0.967538      4.305430
  H      -5.877320      3.257828      0.618400
  H      -5.637814     -0.457329     -2.081072
  H      -5.746448     -2.918626     -1.681936
  H      -6.066250     -3.801558      0.625004
  H      -6.285182     -2.257661      2.537847
  H      -4.639549      5.978097      5.922835
  H      -3.320541      6.740081      6.830589
  H      -2.566168      7.893169      4.730417
  H      -4.221839      8.301680      5.215957
  H      -3.838725      7.916302      2.716831
  H      -3.487096      6.233557      3.056704
  H      -8.254491      6.813254      5.103990
  H      -9.187052      5.541735      0.800865
  H      -7.820506      5.260371     -1.274141
  H      -5.364551      5.704362     -1.227957
  H      -4.253277      6.398499      0.859309
  H      -6.008858      2.210409      7.805597
  H      -6.229006      2.563302      6.071827
  H      -6.501407      4.631256      8.307462
  H      -6.675876      4.940244      6.567642
  H      -8.410928      2.956632      8.158775
  H      -8.862988      4.622670      7.855295
  H      -8.173125      3.257105      2.953699
  H     -12.489761      1.866347      3.693674
  H     -13.939653      1.657132      5.720201
  H     -13.051918      2.267813      7.961829
  H     -10.734799      3.077909      8.209974
  N      -2.793052      3.622723      3.389062
  N      -2.560793      3.752487      2.206639
  H      -1.699084      3.250858      1.873578
98
Coordinates from ORCA-job orca E -6258.282882055441
  N      -3.071011      1.479405      5.228182
  Mo     -3.482829      3.432156      5.180453
  N      -4.503162      3.408611      6.877435
  C      -3.704213      3.444225      8.099201
  C      -2.434042      2.629270      7.860623
  N      -1.770371      3.096085      6.587608
  C      -0.875795      2.051240      6.002391
  C      -1.701495      1.030263      5.185852
  C      -1.013520      4.368024      6.841022
  C      -1.291255      5.320370      5.682133
  N      -2.716797      5.243251      5.467032
  H      -1.316107      0.982067      4.147922
  H      -1.614144      0.015884      5.612526
  H      -0.169285      2.571519      5.344596
  H      -0.301936      1.577712      6.814046
  H      -0.966890      6.342908      5.931488
  H      -0.744806      5.004991      4.776842
  H      -1.404397      4.808756      7.766387
  H       0.053724      4.143569      6.985386
  H      -4.251791      2.999093      8.947096
  H      -3.460835      4.482644      8.392853
  H      -2.701744      1.576585      7.714412
  H      -1.710286      2.707945      8.688465
  C      -4.019967      1.155700      4.200640
  C      -4.986714      0.004347      4.510819
  C      -6.344200      0.163486      3.794326
  C      -6.188884      0.518134      2.340197
  N      -6.110451      1.817048      2.063002
  C      -5.902049      2.174016      0.766780
  N      -5.766697      1.374200     -0.271462
  C      -5.847804      0.033999     -0.013654
  C      -5.708810     -0.884590     -1.083696
  C      -5.773831     -2.240886     -0.843914
  C      -5.979530     -2.735414      0.467005
  C      -6.122198     -1.864352      1.527142
  C      -6.061897     -0.463114      1.312049
  C      -3.561081      6.367427      5.835180
  C      -3.542379      7.508296      4.805016
  C      -4.040535      7.105249      3.420260
  C      -5.515959      6.805786      3.313068
  N      -6.275111      6.962602      4.389742
  C      -7.610215      6.717628      4.258753
  N      -8.255871      6.333371      3.179741
  C      -7.496156      6.155974      2.056953
  C      -8.125813      5.734343      0.859465
  C      -7.381860      5.570491     -0.289259
  C      -5.986937      5.818458     -0.286851
  C      -5.347436      6.215301      0.870276
  C      -6.085341      6.388990      2.066534
  C      -5.896379      3.028875      6.992489
  C      -6.824078      4.202277      7.335742
  C      -8.290106      3.788937      7.432843
  C      -8.932491      3.387480      6.126231
  N      -8.216210      3.489209      5.015469
  C      -8.813487      3.138080      3.842960
  N     -10.034451      2.678817      3.671745
  C     -10.796512      2.565396      4.803283
  C     -12.124172      2.086485      4.694598
  C     -12.912721      1.972048      5.820260
  C     -12.409241      2.329271      7.092761
  C     -11.117938      2.795581      7.227192
  C     -10.283977      2.921257      6.088794
  H      -3.549755      1.038288      3.205718
  H      -4.702633      2.073528      4.055647
  H      -5.157572     -0.035159      5.596007
  H      -4.498957     -0.936436      4.212691
  H      -6.931674     -0.754778      3.923827
  H      -6.898548      0.986378      4.268402
  H      -5.839932      3.249350      0.579409
  H      -5.552591     -0.484992     -2.086716
  H      -5.668461     -2.944399     -1.671417
  H      -6.030471     -3.812017      0.635400
  H      -6.286516     -2.253917      2.532652
  H      -4.595425      6.013441      5.942208
  H      -3.249029      6.763087      6.821312
  H      -2.514186      7.891158      4.706392
  H      -4.157673      8.326840      5.206555
  H      -3.813096      7.913999      2.704692
  H      -3.474728      6.232158      3.055487
  H      -8.205964      6.859925      5.165423
  H      -9.202005      5.552200      0.882844
  H      -7.867480      5.247257     -1.211216
  H      -5.414323      5.688958     -1.205701
  H      -4.272268      6.398945      0.861130
  H      -6.011206      2.228853      7.752059
  H      -6.227809      2.616204      6.025815
  H      -6.512827      4.647623      8.293232
  H      -6.704392      4.972321      6.559251
  H      -8.406757      2.961363      8.153897
  H      -8.879643      4.622075      7.852987
  H      -8.186220      3.234764      2.953935
  H     -12.493111      1.821161      3.703182
  H     -13.936358      1.605934      5.733197
  H     -13.049301      2.235013      7.970960
  H     -10.739137      3.069844      8.212041
  N      -2.808039      3.616291      3.369190
  N      -2.649718      3.749528      2.173185
  H      -1.824496      3.247047      1.783532
98
Coordinates from ORCA-job orca E -6258.283366053666
  N      -3.087877      1.485526      5.223127
  Mo     -3.472820      3.444165      5.168974
  N      -4.505246      3.450391      6.850796
  C      -3.710346      3.488702      8.077157
  C      -2.453296      2.649045      7.855756
  N      -1.769544      3.088976      6.582244
  C      -0.891264      2.020919      6.014451
  C      -1.729344      1.006572      5.205174
  C      -0.990350      4.350305      6.825073
  C      -1.258682      5.298368      5.660751
  N      -2.686641      5.243083      5.454900
  H      -1.331865      0.934969      4.173170
  H      -1.668913     -0.002859      5.648565
  H      -0.173042      2.522875      5.355158
  H      -0.329708      1.547113      6.834627
  H      -0.916639      6.317545      5.900508
  H      -0.722429      4.965227      4.755930
  H      -1.369199      4.802730      7.749864
  H       0.073217      4.106909      6.964908
  H      -4.271601      3.066298      8.927519
  H      -3.450911      4.527194      8.355849
  H      -2.738223      1.599572      7.717002
  H      -1.732920      2.722349      8.687101
  C      -4.034094      1.154791      4.196867
  C      -5.010482      0.015079      4.522156
  C      -6.363623      0.174117      3.796751
  C      -6.197235      0.519563      2.342529
  N      -6.126377      1.816926      2.057208
  C      -5.903871      2.166033      0.761274
  N      -5.749542      1.360336     -0.269268
  C      -5.824667      0.020573     -0.003759
  C      -5.667090     -0.903080     -1.066150
  C      -5.725588     -2.258418     -0.817930
  C      -5.942830     -2.745537      0.493639
  C      -6.104104     -1.868561      1.546306
  C      -6.050980     -0.468805      1.322696
  C      -3.505229      6.383722      5.832255
  C      -3.491532      7.518750      4.796413
  C      -4.020695      7.115069      3.421818
  C      -5.502141      6.833404      3.347136
  N      -6.237084      7.011571      4.438371
  C      -7.574584      6.775912      4.340840
  N      -8.245285      6.381664      3.282639
  C      -7.511881      6.180855      2.145340
  C      -8.168849      5.743028      0.969382
  C      -7.450965      5.553156     -0.193551
  C      -6.057091      5.790868     -0.227002
  C      -5.390181      6.202237      0.909364
  C      -6.101039      6.403306      2.119090
  C      -5.895570      3.057155      6.958036
  C      -6.833318      4.218881      7.311971
  C      -8.296696      3.792523      7.399907
  C      -8.934031      3.400426      6.087270
  N      -8.216707      3.520915      4.978269
  C      -8.807590      3.173418      3.800584
  N     -10.023828      2.701455      3.623596
  C     -10.787732      2.566518      4.752683
  C     -12.109061      2.065784      4.637944
  C     -12.896898      1.924365      5.762749
  C     -12.399530      2.277042      7.039627
  C     -11.114684      2.765918      7.179562
  C     -10.281105      2.917738      6.042760
  H      -3.557248      1.018455      3.207571
  H      -4.704618      2.075613      4.035137
  H      -5.186281     -0.006429      5.607098
  H      -4.529776     -0.934823      4.241910
  H      -6.955398     -0.741555      3.926335
  H      -6.918074      1.001058      4.263798
  H      -5.846295      3.240820      0.567999
  H      -5.502685     -0.508440     -2.069614
  H      -5.606260     -2.967098     -1.639063
  H      -5.988040     -3.821602      0.667968
  H      -6.278008     -2.252920      2.552135
  H      -4.541984      6.044911      5.962949
  H      -3.162236      6.777039      6.808694
  H      -2.460982      7.890771      4.680784
  H      -4.090359      8.346085      5.203860
  H      -3.797292      7.915459      2.696031
  H      -3.472724      6.233462      3.051042
  H      -8.146991      6.937755      5.260346
  H      -9.243048      5.567412      1.020055
  H      -7.957377      5.216520     -1.099020
  H      -5.506097      5.639218     -1.156712
  H      -4.314919      6.372986      0.874830
  H      -6.005761      2.243378      7.703504
  H      -6.218291      2.655820      5.983563
  H      -6.528970      4.654188      8.276735
  H      -6.717201      5.000597      6.547138
  H      -8.406701      2.955639      8.111512
  H      -8.895317      4.613695      7.830842
  H      -8.177389      3.285504      2.913595
  H     -12.473485      1.803817      3.643484
  H     -13.915464      1.539385      5.671686
  H     -13.038950      2.160833      7.917143
  H     -10.740728      3.035407      8.168075
  N      -2.825050      3.607757      3.346644
  N      -2.742468      3.756197      2.141931
  H      -1.960877      3.227026      1.695686
98
Coordinates from ORCA-job orca E -6258.283740570289
  N      -3.079583      1.482487      5.209163
  Mo     -3.465106      3.440924      5.160604
  N      -4.503793      3.450064      6.833134
  C      -3.707993      3.495578      8.061004
  C      -2.452553      2.653407      7.845151
  N      -1.761633      3.085723      6.573266
  C      -0.886704      2.013474      6.009574
  C      -1.724455      0.997330      5.204847
  C      -0.978931      4.345067      6.810773
  C      -1.250870      5.288442      5.644577
  N      -2.679791      5.237575      5.445660
  H      -1.319955      0.915649      4.176287
  H      -1.670621     -0.008233      5.657190
  H      -0.168035      2.512376      5.348388
  H      -0.324744      1.541336      6.830301
  H      -0.904171      6.307563      5.877724
  H      -0.719119      4.947867      4.739741
  H      -1.352179      4.801280      7.736176
  H       0.083550      4.098509      6.946495
  H      -4.270826      3.081400      8.913670
  H      -3.447283      4.535567      8.330520
  H      -2.738005      1.603640      7.709285
  H      -1.734993      2.728320      8.678801
  C      -4.023298      1.141434      4.187578
  C      -4.996942      0.002347      4.524684
  C      -6.350776      0.149385      3.795788
  C      -6.182914      0.483714      2.338931
  N      -6.132220      1.779075      2.040959
  C      -5.909067      2.118897      0.743077
  N      -5.736612      1.306010     -0.278612
  C      -5.793047     -0.032430     -0.001371
  C      -5.618780     -0.962128     -1.054899
  C      -5.659919     -2.315897     -0.794510
  C      -5.876779     -2.793166      0.519905
  C      -6.054305     -1.909421      1.564455
  C      -6.018439     -0.511956      1.329087
  C      -3.486601      6.383331      5.835772
  C      -3.475656      7.516954      4.800712
  C      -4.028201      7.117549      3.433431
  C      -5.514951      6.858611      3.379443
  N      -6.233108      7.058308      4.478051
  C      -7.576260      6.847770      4.397930
  N      -8.268654      6.457660      3.351363
  C      -7.552401      6.232353      2.207640
  C      -8.232315      5.794380      1.044812
  C      -7.532229      5.580677     -0.125410
  C      -6.135302      5.794566     -0.178569
  C      -5.445606      6.205943      0.945566
  C      -6.137079      6.429374      2.162879
  C      -5.890123      3.042195      6.942730
  C      -6.832484      4.192683      7.316596
  C      -8.296162      3.764049      7.393590
  C      -8.928885      3.391653      6.073392
  N      -8.203484      3.510640      4.971327
  C      -8.789800      3.182241      3.786051
  N     -10.010264      2.735161      3.594973
  C     -10.783459      2.604057      4.715505
  C     -12.110140      2.133332      4.583648
  C     -12.908243      2.000047      5.699840
  C     -12.415442      2.330208      6.984113
  C     -11.124966      2.789186      7.140711
  C     -10.281000      2.933097      6.013215
  H      -3.546436      1.001138      3.198374
  H      -4.696913      2.056886      4.019377
  H      -5.172295     -0.007232      5.609778
  H      -4.515002     -0.950744      4.257282
  H      -6.938810     -0.767918      3.931072
  H      -6.910363      0.976776      4.255560
  H      -5.869061      3.192937      0.540701
  H      -5.456215     -0.573975     -2.060755
  H      -5.527992     -3.030735     -1.608114
  H      -5.908423     -3.867846      0.702755
  H      -6.228086     -2.287264      2.572346
  H      -4.524034      6.050353      5.978493
  H      -3.126020      6.771860      6.807775
  H      -2.444541      7.883280      4.674591
  H      -4.063772      8.348244      5.215313
  H      -3.802848      7.911227      2.701335
  H      -3.498064      6.227407      3.057982
  H      -8.131527      7.028347      5.324445
  H      -9.308907      5.637797      1.109810
  H      -8.056476      5.244248     -1.021425
  H      -5.600198      5.623607     -1.114038
  H      -4.367646      6.355473      0.897248
  H      -5.989822      2.215148      7.674528
  H      -6.213420      2.653773      5.963498
  H      -6.531651      4.611216      8.289749
  H      -6.715854      4.988487      6.567417
  H      -8.408393      2.917219      8.092411
  H      -8.895720      4.577005      7.837135
  H      -8.152905      3.294749      2.905787
  H     -12.471137      1.889175      3.583905
  H     -13.931137      1.639555      5.595969
  H     -13.063116      2.221647      7.853847
  H     -10.755795      3.043429      8.134719
  N      -2.851863      3.614756      3.329006
  N      -2.825346      3.793689      2.121104
  H      -2.051283      3.297663      1.637950
98
Coordinates from ORCA-job orca E -6258.284121890420
  N      -3.074985      1.476979      5.196965
  Mo     -3.452168      3.437440      5.146131
  N      -4.502648      3.456582      6.806685
  C      -3.707306      3.511396      8.037591
  C      -2.454820      2.659892      7.834971
  N      -1.751859      3.078013      6.564694
  C      -0.883270      1.996446      6.010462
  C      -1.725233      0.978156      5.213284
  C      -0.960773      4.333327      6.793368
  C      -1.227525      5.270220      5.618939
  N      -2.658878      5.230138      5.425582
  H      -1.311925      0.877720      4.189768
  H      -1.685131     -0.021622      5.680781
  H      -0.161344      2.486173      5.345486
  H      -0.322991      1.526878      6.834299
  H      -0.870343      6.287915      5.841655
  H      -0.700872      4.916493      4.716209
  H      -1.329342      4.798698      7.716365
  H       0.101087      4.080540      6.929329
  H      -4.274997      3.110733      8.893917
  H      -3.442004      4.553590      8.292801
  H      -2.744451      1.610131      7.706937
  H      -1.743846      2.738081      8.674116
  C      -4.017123      1.128120      4.179427
  C      -4.999309     -0.000633      4.529279
  C      -6.349036      0.145078      3.791760
  C      -6.168936      0.458947      2.331545
  N      -6.118531      1.750049      2.014281
  C      -5.882006      2.071918      0.713310
  N      -5.694140      1.244463     -0.294229
  C      -5.750912     -0.090529      0.002551
  C      -5.562909     -1.034857     -1.035352
  C      -5.606069     -2.385476     -0.754872
  C      -5.838202     -2.843449      0.564210
  C      -6.028268     -1.944885      1.594239
  C      -5.990969     -0.550708      1.338555
  C      -3.448693      6.383639      5.831080
  C      -3.444210      7.515949      4.795727
  C      -4.036626      7.122578      3.444408
  C      -5.528409      6.894558      3.430208
  N      -6.215049      7.133771      4.539783
  C      -7.565865      6.958371      4.494736
  N      -8.294053      6.569749      3.473243
  C      -7.609618      6.304896      2.319022
  C      -8.328778      5.868561      1.181824
  C      -7.660874      5.611856      0.001607
  C      -6.257761      5.777902     -0.085828
  C      -5.530624      6.189454      1.012532
  C      -6.188941      6.458735      2.238835
  C      -5.888009      3.043207      6.918832
  C      -6.832101      4.190561      7.296346
  C      -8.296505      3.762480      7.357548
  C      -8.918881      3.404349      6.028291
  N      -8.183066      3.530637      4.934769
  C      -8.759857      3.213746      3.741070
  N      -9.979876      2.769603      3.535086
  C     -10.763815      2.629509      4.646614
  C     -12.089873      2.158980      4.498533
  C     -12.897678      2.015331      5.606434
  C     -12.415484      2.334445      6.897638
  C     -11.125602      2.793154      7.070023
  C     -10.271686      2.947654      5.951533
  H      -3.542001      0.976630      3.191387
  H      -4.688413      2.042166      4.004573
  H      -5.177372      0.008179      5.613698
  H      -4.524361     -0.961794      4.279280
  H      -6.943673     -0.766587      3.934954
  H      -6.906098      0.981624      4.236920
  H      -5.844569      3.143744      0.496171
  H      -5.389089     -0.660631     -2.045332
  H      -5.464111     -3.112556     -1.555989
  H      -5.871527     -3.915863      0.762158
  H      -6.214011     -2.308929      2.605874
  H      -4.486342      6.060194      5.991191
  H      -3.065426      6.767439      6.795982
  H      -2.413583      7.872735      4.646447
  H      -4.015095      8.352915      5.223635
  H      -3.813648      7.909222      2.703591
  H      -3.534457      6.220591      3.059874
  H      -8.093124      7.171427      5.429999
  H      -9.409395      5.747020      1.273070
  H      -8.215537      5.276891     -0.874962
  H      -5.748931      5.571112     -1.028743
  H      -4.448224      6.299510      0.938955
  H      -5.983063      2.213096      7.647118
  H      -6.211007      2.657455      5.938350
  H      -6.538415      4.599659      8.276262
  H      -6.709130      4.993621      6.555458
  H      -8.413597      2.907460      8.046460
  H      -8.898601      4.569498      7.807064
  H      -8.113146      3.329072      2.869896
  H     -12.442701      1.923293      3.493810
  H     -13.919978      1.654090      5.490278
  H     -13.070493      2.217231      7.760602
  H     -10.765244      3.038444      8.069544
  N      -2.863797      3.614570      3.306991
  N      -2.880878      3.819504      2.103813
  H      -2.111773      3.340947      1.590333
98
Coordinates from ORCA-job orca E -6258.284550874113
  N      -3.036289      1.468409      5.172926
  Mo     -3.420303      3.425491      5.125796
  N      -4.483951      3.444938      6.774332
  C      -3.687743      3.512906      8.007719
  C      -2.431947      2.661210      7.817610
  N      -1.719470      3.072406      6.550933
  C      -0.849887      1.989114      6.003825
  C      -1.689891      0.961378      5.215060
  C      -0.929658      4.328288      6.772236
  C      -1.195394      5.257145      5.588677
  N      -2.629597      5.220303      5.400868
  H      -1.266520      0.839638      4.197852
  H      -1.659775     -0.030383      5.700818
  H      -0.128751      2.474050      5.333459
  H      -0.286050      1.524816      6.828606
  H      -0.832071      6.274850      5.800379
  H      -0.672760      4.892696      4.688130
  H      -1.298103      4.801015      7.691982
  H       0.133109      4.079473      6.910714
  H      -4.255009      3.121830      8.868489
  H      -3.423796      4.558384      8.247683
  H      -2.718656      1.609791      7.697502
  H      -1.731049      2.747272      8.664793
  C      -3.977610      1.102669      4.162701
  C      -4.955888     -0.024761      4.531781
  C      -6.312356      0.099284      3.799502
  C      -6.147810      0.383517      2.329879
  N      -6.137445      1.666912      1.980522
  C      -5.924670      1.961947      0.669527
  N      -5.721381      1.114458     -0.319268
  C      -5.738445     -0.212955      0.010603
  C      -5.536350     -1.177958     -1.005380
  C      -5.544000     -2.521766     -0.691397
  C      -5.754157     -2.950738      0.639973
  C      -5.955880     -2.031802      1.649948
  C      -5.953995     -0.644245      1.360433
  C      -3.410898      6.370330      5.841468
  C      -3.442739      7.511327      4.817437
  C      -4.102208      7.135445      3.494143
  C      -5.596044      6.926583      3.543416
  N      -6.236011      7.191986      4.673756
  C      -7.590821      7.040587      4.680668
  N      -8.364016      6.651148      3.691191
  C      -7.727066      6.357633      2.517342
  C      -8.494776      5.919423      1.413244
  C      -7.874542      5.629893      0.215493
  C      -6.472401      5.763910      0.077758
  C      -5.699467      6.180659      1.142070
  C      -6.307541      6.483494      2.385758
  C      -5.869133      3.029838      6.887500
  C      -6.810947      4.178811      7.264254
  C      -8.279283      3.764147      7.286839
  C      -8.874880      3.446547      5.935788
  N      -8.111265      3.585486      4.862968
  C      -8.666550      3.312929      3.648504
  N      -9.891930      2.904645      3.403407
  C     -10.704119      2.752272      4.493198
  C     -12.036768      2.319070      4.303450
  C     -12.871891      2.163070      5.389942
  C     -12.411491      2.432651      6.699526
  C     -11.115951      2.855002      6.912540
  C     -10.234104      3.021168      5.817100
  H      -3.508703      0.943836      3.172394
  H      -4.656407      2.007735      3.983483
  H      -5.128009      0.004781      5.617153
  H      -4.479004     -0.989918      4.300184
  H      -6.900331     -0.813017      3.966687
  H      -6.872631      0.940989      4.230147
  H      -5.924629      3.028670      0.426902
  H      -5.381130     -0.825216     -2.025620
  H      -5.391697     -3.265478     -1.475403
  H      -5.760685     -4.018099      0.863984
  H      -6.123665     -2.374866      2.671347
  H      -4.442449      6.042769      6.030824
  H      -2.998569      6.748830      6.796396
  H      -2.419844      7.868216      4.624109
  H      -3.993122      8.343962      5.281027
  H      -3.901996      7.925773      2.750700
  H      -3.630952      6.229696      3.080405
  H      -8.079370      7.276015      5.631200
  H      -9.574186      5.820991      1.542948
  H      -8.467653      5.294506     -0.636111
  H      -6.002539      5.532571     -0.879153
  H      -4.619374      6.266728      1.029372
  H      -5.964261      2.199041      7.614288
  H      -6.191750      2.647155      5.905693
  H      -6.532643      4.570538      8.255900
  H      -6.666214      4.991659      6.537424
  H      -8.418596      2.893435      7.951880
  H      -8.881878      4.565802      7.744907
  H      -7.996981      3.435223      2.795556
  H     -12.372669      2.121483      3.285180
  H     -13.898868      1.829885      5.241413
  H     -13.087610      2.305923      7.545427
  H     -10.773133      3.062947      7.926239
  N      -2.880771      3.630794      3.272772
  N      -2.963651      3.877136      2.082522
  H      -2.198421      3.430478      1.523493
98
Coordinates from ORCA-job orca E -6258.285053822383
  N      -3.015942      1.455928      5.170051
  Mo     -3.410386      3.406332      5.117289
  N      -4.481486      3.428387      6.762947
  C      -3.687415      3.507019      7.997274
  C      -2.427452      2.657798      7.818159
  N      -1.710881      3.065425      6.553972
  C      -0.835673      1.983220      6.015415
  C      -1.670897      0.945208      5.233466
  C      -0.927730      4.324249      6.771939
  C      -1.187843      5.243554      5.578421
  N      -2.622061      5.206838      5.384318
  H      -1.239597      0.805970      4.222112
  H      -1.647794     -0.039267      5.733998
  H      -0.115313      2.464487      5.341825
  H      -0.270536      1.525935      6.843205
  H      -0.823470      6.262621      5.781281
  H      -0.663231      4.869822      4.683291
  H      -1.303280      4.803605      7.685342
  H       0.135678      4.083005      6.918925
  H      -4.253928      3.119954      8.860376
  H      -3.427095      4.555075      8.228933
  H      -2.710787      1.604830      7.704688
  H      -1.734285      2.751918      8.670914
  C      -3.954862      1.075216      4.161585
  C      -4.925329     -0.056501      4.537017
  C      -6.280863      0.062099      3.805643
  C      -6.115515      0.357822      2.337263
  N      -6.109401      1.644225      1.998254
  C      -5.898273      1.949665      0.689206
  N      -5.688050      1.110279     -0.305363
  C      -5.697242     -0.218828      0.015172
  C      -5.485663     -1.176211     -1.005909
  C      -5.486011     -2.521923     -0.701578
  C      -5.697633     -2.961078      0.626150
  C      -5.907669     -2.050729      1.641387
  C      -5.913332     -0.661159      1.361358
  C      -3.401709      6.357707      5.829680
  C      -3.438904      7.495361      4.800436
  C      -4.120454      7.119356      3.489203
  C      -5.616003      6.932594      3.558595
  N      -6.238339      7.222542      4.692515
  C      -7.595357      7.095419      4.715438
  N      -8.386357      6.712171      3.736401
  C      -7.767848      6.396502      2.558289
  C      -8.555557      5.965365      1.464775
  C      -7.952003      5.642043      0.267411
  C      -6.546830      5.736449      0.118340
  C      -5.756146      6.150804      1.170195
  C      -6.346863      6.486957      2.413922
  C      -5.866736      3.015413      6.879750
  C      -6.807882      4.171172      7.241739
  C      -8.279220      3.765081      7.260027
  C      -8.878640      3.448749      5.909110
  N      -8.114631      3.570894      4.833453
  C      -8.678799      3.300758      3.621569
  N      -9.914611      2.919237      3.379851
  C     -10.726591      2.784920      4.472930
  C     -12.069837      2.378405      4.288226
  C     -12.904500      2.238525      5.378247
  C     -12.433351      2.498533      6.686544
  C     -11.127803      2.895870      6.894620
  C     -10.246069      3.045181      5.795234
  H      -3.486912      0.911883      3.171494
  H      -4.641295      1.973061      3.977333
  H      -5.096942     -0.021765      5.622752
  H      -4.444481     -1.020776      4.309288
  H      -6.863883     -0.854125      3.968099
  H      -6.846544      0.898970      4.239314
  H      -5.905471      3.018800      0.454196
  H      -5.329002     -0.816001     -2.023046
  H      -5.326407     -3.258856     -1.490126
  H      -5.698907     -4.029922      0.843446
  H      -6.075755     -2.401621      2.659877
  H      -4.432250      6.031870      6.027489
  H      -2.984483      6.742099      6.780154
  H      -2.416185      7.842468      4.588563
  H      -3.976858      8.333850      5.269574
  H      -3.920135      7.904026      2.738979
  H      -3.667087      6.204322      3.074474
  H      -8.071892      7.349194      5.667248
  H      -9.635453      5.892212      1.604557
  H      -8.560480      5.308975     -0.574204
  H      -6.089665      5.480701     -0.838820
  H      -4.675059      6.210627      1.047148
  H      -5.961593      2.195778      7.619266
  H      -6.190400      2.620255      5.903277
  H      -6.532076      4.570726      8.231237
  H      -6.655782      4.976569      6.507381
  H      -8.426715      2.896494      7.926934
  H      -8.876097      4.573851      7.713102
  H      -8.011168      3.409728      2.765188
  H     -12.413599      2.187075      3.270558
  H     -13.939399      1.925363      5.232984
  H     -13.108987      2.384579      7.535885
  H     -10.776649      3.097148      7.907456
  N      -2.898112      3.632826      3.255087
  N      -3.014423      3.893312      2.072748
  H      -2.242346      3.484118      1.489928
98
Coordinates from ORCA-job orca E -6258.285703148248
  N      -2.995022      1.444970      5.171581
  Mo     -3.398560      3.384188      5.108982
  N      -4.472056      3.418656      6.756636
  C      -3.681165      3.506060      7.990162
  C      -2.418620      2.657010      7.824156
  N      -1.699325      3.055831      6.560882
  C      -0.821282      1.970156      6.035448
  C      -1.655595      0.921696      5.264992
  C      -0.921142      4.317075      6.770257
  C      -1.173043      5.222635      5.563264
  N      -2.606142      5.190372      5.362884
  H      -1.214602      0.754590      4.262823
  H      -1.649149     -0.051847      5.786974
  H      -0.100686      2.442878      5.356908
  H      -0.257239      1.521733      6.868556
  H      -0.804629      6.242870      5.752791
  H      -0.649691      4.833712      4.674787
  H      -1.303528      4.808052      7.674117
  H       0.142426      4.083116      6.926703
  H      -4.248200      3.124085      8.855237
  H      -3.422072      4.556226      8.214946
  H      -2.701830      1.603057      7.719368
  H      -1.732009      2.759453      8.681239
  C      -3.933225      1.044281      4.165440
  C      -4.890058     -0.096433      4.547090
  C      -6.244425      0.010502      3.815655
  C      -6.083830      0.314653      2.348143
  N      -6.086075      1.603764      2.017741
  C      -5.881748      1.918541      0.710111
  N      -5.665918      1.087113     -0.289628
  C      -5.661336     -0.243453      0.023426
  C      -5.438162     -1.194030     -1.001916
  C      -5.424892     -2.541134     -0.705773
  C      -5.633444     -2.990668      0.619459
  C      -5.854144     -2.088293      1.638833
  C      -5.873705     -0.696671      1.366318
  C      -3.383615      6.341505      5.810074
  C      -3.439351      7.472978      4.772084
  C      -4.160773      7.095337      3.482398
  C      -5.657121      6.932770      3.590132
  N      -6.247249      7.240408      4.737218
  C      -7.604928      7.139199      4.791244
  N      -8.425272      6.770286      3.830133
  C      -7.841765      6.440573      2.638469
  C      -8.663325      6.026998      1.561744
  C      -8.094236      5.679734      0.355448
  C      -6.690381      5.736029      0.178214
  C      -5.868182      6.137265      1.210914
  C      -6.423068      6.494895      2.464151
  C      -5.857856      3.013166      6.874916
  C      -6.795869      4.176864      7.225032
  C      -8.269612      3.779887      7.232181
  C      -8.856269      3.468005      5.875259
  N      -8.074473      3.573078      4.809783
  C      -8.628072      3.309577      3.593278
  N      -9.869996      2.955078      3.335445
  C     -10.698662      2.835656      4.418244
  C     -12.049132      2.455709      4.217197
  C     -12.900437      2.329390      5.295876
  C     -12.439496      2.577197      6.609592
  C     -11.128087      2.949909      6.833534
  C     -10.229564      3.085783      5.745545
  H      -3.463819      0.873440      3.177328
  H      -4.626583      1.933524      3.973382
  H      -5.064248     -0.058239      5.632580
  H      -4.399165     -1.056291      4.322978
  H      -6.818864     -0.911536      3.975477
  H      -6.818293      0.841710      4.250816
  H      -5.899089      2.989304      0.480455
  H      -5.283224     -0.827025     -2.017097
  H      -5.256068     -3.270922     -1.498873
  H      -5.624237     -4.060714      0.831963
  H      -6.018960     -2.446160      2.655665
  H      -4.409943      6.015878      6.026983
  H      -2.955202      6.737747      6.750185
  H      -2.418558      7.803140      4.525724
  H      -3.952879      8.321288      5.250624
  H      -3.969308      7.873338      2.722242
  H      -3.731867      6.170900      3.062275
  H      -8.058165      7.402521      5.751886
  H      -9.741063      5.980421      1.724125
  H      -8.728824      5.356238     -0.470513
  H      -6.258650      5.463809     -0.786038
  H      -4.788855      6.173794      1.063437
  H      -5.955860      2.205049      7.627091
  H      -6.183539      2.606993      5.903832
  H      -6.524468      4.581221      8.213102
  H      -6.634489      4.975540      6.485886
  H      -8.430914      2.912398      7.896706
  H      -8.864813      4.596571      7.675004
  H      -7.949604      3.409692      2.743200
  H     -12.383959      2.271964      3.195528
  H     -13.940655      2.036321      5.137106
  H     -13.127629      2.474047      7.450487
  H     -10.784277      3.141662      7.850354
  N      -2.924187      3.629909      3.232060
  N      -3.091123      3.893320      2.057702
  H      -2.322488      3.525737      1.443286
98
Coordinates from ORCA-job orca E -6258.286409358720
  N      -2.961079      1.437672      5.164064
  Mo     -3.386184      3.361412      5.100922
  N      -4.458485      3.400392      6.750763
  C      -3.672426      3.494583      7.984173
  C      -2.403849      2.653175      7.830100
  N      -1.683591      3.049025      6.569104
  C      -0.799170      1.964725      6.052398
  C      -1.627840      0.905425      5.290436
  C      -0.916220      4.315945      6.769357
  C      -1.166425      5.207111      5.550488
  N      -2.597658      5.174465      5.345152
  H      -1.173986      0.712526      4.299357
  H      -1.638570     -0.056936      5.832847
  H      -0.081004      2.435797      5.370098
  H      -0.233970      1.525482      6.889341
  H      -0.798627      6.229910      5.727798
  H      -0.643046      4.806130      4.667730
  H      -1.305945      4.815730      7.664847
  H       0.148400      4.093509      6.932544
  H      -4.240928      3.112788      8.848245
  H      -3.419172      4.546859      8.207565
  H      -2.681382      1.597070      7.729599
  H      -1.723787      2.764239      8.691196
  C      -3.898535      1.014236      4.161601
  C      -4.833171     -0.142900      4.547419
  C      -6.189235     -0.053411      3.818756
  C      -6.039975      0.256353      2.351720
  N      -6.057896      1.546717      2.026379
  C      -5.865102      1.868408      0.719158
  N      -5.645602      1.043731     -0.284659
  C      -5.622058     -0.287818      0.023795
  C      -5.389770     -1.232821     -1.005347
  C      -5.356687     -2.580381     -0.714367
  C      -5.553555     -3.038444      0.610457
  C      -5.783145     -2.142205      1.633024
  C      -5.822848     -0.749504      1.364961
  C      -3.376829      6.321998      5.796289
  C      -3.459212      7.449522      4.754413
  C      -4.219181      7.069406      3.486423
  C      -5.714575      6.922386      3.635821
  N      -6.269931      7.238884      4.798962
  C      -7.625485      7.153341      4.889045
  N      -8.475254      6.797599      3.948255
  C      -7.929931      6.462426      2.740139
  C      -8.785590      6.064147      1.682424
  C      -8.254279      5.700394      0.463885
  C      -6.855141      5.727823      0.253287
  C      -6.000562      6.118305      1.264867
  C      -6.516746      6.491249      2.530119
  C      -5.846400      3.005689      6.867684
  C      -6.776756      4.178716      7.210293
  C      -8.254938      3.798157      7.202823
  C      -8.829275      3.499406      5.837749
  N      -8.027626      3.580422      4.783856
  C      -8.569181      3.332211      3.560152
  N      -9.817454      3.015223      3.282500
  C     -10.665999      2.921140      4.352589
  C     -12.025505      2.585251      4.130230
  C     -12.897659      2.485671      5.194541
  C     -12.449187      2.716663      6.515928
  C     -11.130070      3.046997      6.760590
  C     -10.210663      3.156251      5.687155
  H      -3.426227      0.842031      3.175018
  H      -4.603924      1.892279      3.967123
  H      -5.008535     -0.108316      5.632954
  H      -4.326372     -1.093920      4.321546
  H      -6.751092     -0.983530      3.977482
  H      -6.773187      0.769963      4.256783
  H      -5.895593      2.939438      0.492183
  H      -5.243579     -0.860713     -2.020236
  H      -5.180539     -3.304163     -1.511483
  H      -5.528575     -4.108945      0.820276
  H      -5.938863     -2.505071      2.649790
  H      -4.396845      5.991679      6.034866
  H      -2.934903      6.727590      6.725845
  H      -2.442215      7.767130      4.475513
  H      -3.950359      8.304758      5.242336
  H      -4.043175      7.842418      2.717614
  H      -3.809596      6.140172      3.058470
  H      -8.051760      7.417953      5.862218
  H      -9.858754      6.037270      1.871355
  H      -8.915141      5.384137     -0.344760
  H      -6.451195      5.442088     -0.719567
  H      -4.924770      6.137448      1.089741
  H      -5.950338      2.205747      7.628389
  H      -6.173950      2.593917      5.900204
  H      -6.510142      4.581882      8.199371
  H      -6.601933      4.973913      6.471549
  H      -8.436533      2.930734      7.861337
  H      -8.844518      4.623091      7.638407
  H      -7.875609      3.410144      2.720262
  H     -12.349843      2.412538      3.102940
  H     -13.944612      2.227650      5.018621
  H     -13.153347      2.634869      7.345594
  H     -10.795234      3.225947      7.783029
  N      -2.955450      3.633680      3.207602
  N      -3.180419      3.896658      2.042674
  H      -2.421694      3.567875      1.397562
98
Coordinates from ORCA-job orca E -6258.287179934700
  N      -2.931296      1.437334      5.150979
  Mo     -3.381950      3.343681      5.097600
  N      -4.447774      3.382880      6.750727
  C      -3.667531      3.480323      7.985259
  C      -2.393166      2.648175      7.839967
  N      -1.672590      3.043727      6.581775
  C      -0.783217      1.962103      6.067222
  C      -1.606085      0.896263      5.309942
  C      -0.915869      4.316381      6.771445
  C      -1.167143      5.192940      5.541896
  N      -2.596282      5.160742      5.333053
  H      -1.137598      0.681627      4.330750
  H      -1.635771     -0.056331      5.869247
  H      -0.069211      2.436711      5.382665
  H      -0.215330      1.528833      6.905390
  H      -0.800298      6.218312      5.707327
  H      -0.642869      4.780681      4.664659
  H      -1.311159      4.823955      7.660036
  H       0.149991      4.103619      6.938710
  H      -4.239931      3.095532      8.845529
  H      -3.421297      4.534009      8.213036
  H      -2.663437      1.589690      7.739607
  H      -1.717468      2.765245      8.703608
  C      -3.870203      0.994465      4.154403
  C      -4.779355     -0.181727      4.542965
  C      -6.140630     -0.114681      3.820285
  C      -6.008939      0.195521      2.352754
  N      -6.054835      1.484195      2.025653
  C      -5.879066      1.807968      0.717041
  N      -5.654154      0.987105     -0.287958
  C      -5.602088     -0.343783      0.021807
  C      -5.360316     -1.285475     -1.008984
  C      -5.296847     -2.631411     -0.717047
  C      -5.471903     -3.093076      0.610289
  C      -5.711343     -2.199716      1.633569
  C      -5.781996     -0.808361      1.364145
  C      -3.376106      6.306738      5.783088
  C      -3.473471      7.431754      4.739942
  C      -4.260209      7.055279      3.485503
  C      -5.755164      6.924968      3.665569
  N      -6.280955      7.238555      4.844237
  C      -7.633848      7.164446      4.964804
  N      -8.508167      6.829608      4.039360
  C      -7.995297      6.500907      2.815054
  C      -8.879652      6.125735      1.771251
  C      -8.381672      5.758979      0.538913
  C      -6.988384      5.762221      0.299572
  C      -6.105571      6.134347      1.295665
  C      -6.588079      6.510371      2.573843
  C      -5.838656      2.997452      6.865242
  C      -6.761929      4.175247      7.208734
  C      -8.243627      3.806696      7.190584
  C      -8.806977      3.520340      5.818575
  N      -7.986970      3.581424      4.776856
  C      -8.512908      3.344500      3.545590
  N      -9.762988      3.054891      3.247724
  C     -10.630740      2.983768      4.303847
  C     -11.994720      2.684380      4.058431
  C     -12.887939      2.610928      5.106847
  C     -12.456248      2.831152      6.436131
  C     -11.133471      3.125605      6.703176
  C     -10.193169      3.209863      5.645915
  H      -3.395766      0.827210      3.168203
  H      -4.589043      1.861660      3.963533
  H      -4.952825     -0.156594      5.628880
  H      -4.254693     -1.121266      4.310666
  H      -6.686156     -1.054534      3.980689
  H      -6.735728      0.698817      4.262423
  H      -5.929948      2.877137      0.488071
  H      -5.231285     -0.911942     -2.025894
  H      -5.113074     -3.351862     -1.515864
  H      -5.422315     -4.162338      0.821270
  H      -5.850883     -2.563675      2.652443
  H      -4.391884      5.974319      6.037067
  H      -2.922965      6.715583      6.705873
  H      -2.456937      7.735429      4.442252
  H      -3.944185      8.294868      5.231639
  H      -4.093180      7.824595      2.711553
  H      -3.866939      6.123556      3.049960
  H      -8.034311      7.419428      5.952198
  H      -9.947869      6.115611      1.982970
  H      -9.064737      5.456648     -0.257302
  H      -6.609666      5.471415     -0.682222
  H      -5.033983      6.137747      1.097737
  H      -5.946656      2.199381      7.627818
  H      -6.167772      2.585906      5.898807
  H      -6.499252      4.573339      8.200397
  H      -6.578002      4.971781      6.474501
  H      -8.440928      2.937827      7.842149
  H      -8.829866      4.635403      7.623685
  H      -7.803320      3.407728      2.717250
  H     -12.305477      2.518657      3.025805
  H     -13.938276      2.383272      4.913013
  H     -13.176971      2.770005      7.252814
  H     -10.811254      3.296364      7.731123
  N      -2.999302      3.641449      3.189458
  N      -3.280353      3.896283      2.033379
  H      -2.533104      3.601790      1.363495
98
Coordinates from ORCA-job orca E -6258.288046660378
  N      -2.899510      1.440725      5.129500
  Mo     -3.374525      3.330686      5.090787
  N      -4.433775      3.369450      6.744232
  C      -3.659314      3.470052      7.981739
  C      -2.380017      2.645309      7.844200
  N      -1.657105      3.039968      6.589280
  C      -0.765147      1.960604      6.073753
  C      -1.583740      0.890502      5.320375
  C      -0.909071      4.317348      6.766613
  C      -1.162740      5.179668      5.526410
  N      -2.591157      5.148155      5.317524
  H      -1.100444      0.655994      4.353325
  H      -1.632451     -0.052678      5.894638
  H      -0.055983      2.439412      5.386879
  H      -0.193013      1.530971      6.911025
  H      -0.795503      6.206926      5.679929
  H      -0.637891      4.756765      4.654319
  H      -1.307947      4.832378      7.649570
  H       0.158135      4.112575      6.936110
  H      -4.236917      3.083633      8.837971
  H      -3.419252      4.524810      8.212868
  H      -2.643264      1.584632      7.743770
  H      -1.708758      2.767187      8.710616
  C      -3.842060      0.980661      4.142575
  C      -4.726647     -0.210805      4.540461
  C      -6.096723     -0.168911      3.830347
  C      -5.988249      0.134820      2.360420
  N      -6.065809      1.419341      2.024323
  C      -5.911696      1.737756      0.711715
  N      -5.681897      0.915054     -0.290399
  C      -5.598117     -0.412955      0.028096
  C      -5.349223     -1.356112     -1.000000
  C      -5.252500     -2.698283     -0.699193
  C      -5.400245     -3.154911      0.633522
  C      -5.646853     -2.259117      1.653548
  C      -5.751531     -0.871790      1.375252
  C      -3.370479      6.291077      5.775000
  C      -3.485802      7.417479      4.737223
  C      -4.304550      7.047869      3.500821
  C      -5.796285      6.930590      3.717345
  N      -6.289847      7.243551      4.910082
  C      -7.640403      7.180734      5.064355
  N      -8.541176      6.863645      4.159052
  C      -8.061672      6.537415      2.920349
  C      -8.975511      6.181401      1.895876
  C      -8.512522      5.811599      0.650312
  C      -7.126102      5.792547      0.378836
  C      -6.213929      6.149568      1.354814
  C      -6.660751      6.529300      2.644961
  C      -5.828689      2.992428      6.854035
  C      -6.746091      4.174737      7.193461
  C      -8.230959      3.818948      7.155810
  C      -8.779696      3.550970      5.773904
  N      -7.942096      3.605045      4.745719
  C      -8.449161      3.383146      3.504372
  N      -9.697123      3.111129      3.183734
  C     -10.583798      3.050867      4.224181
  C     -11.947850      2.776855      3.952672
  C     -12.861805      2.717777      4.983928
  C     -12.450848      2.925991      6.322208
  C     -11.128294      3.194543      6.614656
  C     -10.167280      3.265345      5.575280
  H      -3.369628      0.819037      3.154813
  H      -4.573403      1.837551      3.957905
  H      -4.892114     -0.191079      5.627483
  H      -4.187687     -1.140677      4.302698
  H      -6.624391     -1.117750      3.998781
  H      -6.700698      0.635396      4.276576
  H      -5.986074      2.803805      0.475227
  H      -5.241745     -0.987031     -2.021135
  H      -5.063162     -3.420235     -1.495531
  H      -5.323846     -4.221246      0.850852
  H      -5.766211     -2.618403      2.676731
  H      -4.380765      5.953755      6.044588
  H      -2.903631      6.697589      6.692155
  H      -2.472955      7.713052      4.418989
  H      -3.937205      8.284894      5.237966
  H      -4.150342      7.814770      2.722323
  H      -3.929201      6.114569      3.055048
  H      -8.011184      7.430533      6.064952
  H     -10.038464      6.187671      2.132705
  H      -9.218568      5.522648     -0.130943
  H      -6.775388      5.496385     -0.611460
  H      -5.147693      6.136809      1.132674
  H      -5.943042      2.194546      7.615839
  H      -6.154934      2.581957      5.886479
  H      -6.492962      4.566046      8.190533
  H      -6.548719      4.974443      6.466480
  H      -8.444848      2.945780      7.796355
  H      -8.815795      4.647151      7.590864
  H      -7.722638      3.442219      2.690095
  H     -12.242295      2.619845      2.913999
  H     -13.912320      2.511602      4.770437
  H     -13.188138      2.876108      7.124441
  H     -10.822164      3.355904      7.649025
  N      -3.045991      3.648925      3.170033
  N      -3.383835      3.894875      2.025807
  H      -2.649081      3.632794      1.330768
98
Coordinates from ORCA-job orca E -6258.289073686319
  N      -2.875396      1.456241      5.098408
  Mo     -3.373433      3.331420      5.086970
  N      -4.424388      3.365378      6.736182
  C      -3.660121      3.462787      7.982391
  C      -2.378022      2.642990      7.850358
  N      -1.647916      3.039192      6.601726
  C      -0.757117      1.962044      6.078500
  C      -1.572018      0.895490      5.321248
  C      -0.905609      4.319284      6.767936
  C      -1.161504      5.169397      5.518624
  N      -2.590374      5.140557      5.310105
  H      -1.070479      0.648579      4.366427
  H      -1.641420     -0.041606      5.903902
  H      -0.051387      2.449075      5.393315
  H      -0.181597      1.529125      6.912326
  H      -0.792523      6.197503      5.663169
  H      -0.633125      4.738121      4.651851
  H      -1.306730      4.839636      7.647654
  H       0.162629      4.117862      6.938715
  H      -4.249101      3.072997      8.829534
  H      -3.425388      4.516675      8.222786
  H      -2.634762      1.580809      7.744060
  H      -1.710789      2.763571      8.720186
  C      -3.824066      0.988117      4.124313
  C      -4.686553     -0.214752      4.535027
  C      -6.071547     -0.199141      3.847548
  C      -5.991172      0.092527      2.374405
  N      -6.102871      1.369313      2.021787
  C      -5.973093      1.674309      0.702938
  N      -5.741807      0.843459     -0.292282
  C      -5.626904     -0.479806      0.042073
  C      -5.378156     -1.429277     -0.979730
  C      -5.248729     -2.765718     -0.661922
  C      -5.363073     -3.207450      0.678648
  C      -5.610413     -2.302894      1.691888
  C      -5.748339     -0.922627      1.397687
  C      -3.363818      6.286485      5.772995
  C      -3.471793      7.417759      4.744847
  C      -4.303322      7.064291      3.513239
  C      -5.792668      6.959355      3.747562
  N      -6.266067      7.261210      4.950130
  C      -7.616213      7.206523      5.126062
  N      -8.534238      6.913503      4.232555
  C      -8.073890      6.600562      2.982377
  C      -9.006227      6.274061      1.968233
  C      -8.565312      5.919340      0.709180
  C      -7.183892      5.881929      0.417200
  C      -6.251247      6.211453      1.384067
  C      -6.676032      6.580915      2.684985
  C      -5.825486      2.992040      6.834512
  C      -6.742355      4.172418      7.169722
  C      -8.228049      3.819012      7.116062
  C      -8.772456      3.559655      5.729682
  N      -7.933107      3.623792      4.704202
  C      -8.432164      3.402451      3.457812
  N      -9.673101      3.109729      3.132786
  C     -10.563680      3.045942      4.168182
  C     -11.922684      2.763221      3.888048
  C     -12.843470      2.708095      4.913647
  C     -12.443120      2.926431      6.254433
  C     -11.124406      3.200689      6.555269
  C     -10.157049      3.269968      5.522006
  H      -3.356354      0.837915      3.133338
  H      -4.564254      1.838460      3.951743
  H      -4.834419     -0.200536      5.624160
  H      -4.139515     -1.137253      4.287545
  H      -6.579720     -1.156424      4.028380
  H      -6.680853      0.595066      4.301903
  H      -6.071460      2.735245      0.453699
  H      -5.297491     -1.070823     -2.006911
  H      -5.059313     -3.495424     -1.451277
  H      -5.259967     -4.269164      0.906505
  H      -5.705391     -2.651288      2.721209
  H      -4.374266      5.950107      6.044144
  H      -2.888486      6.678330      6.692804
  H      -2.456496      7.706133      4.428815
  H      -3.910919      8.289582      5.248448
  H      -4.150033      7.830226      2.734472
  H      -3.940678      6.130932      3.059582
  H      -7.961741      7.444164      6.138581
  H     -10.066291      6.294157      2.221081
  H      -9.285915      5.654006     -0.066882
  H      -6.853629      5.591168     -0.581120
  H      -5.188578      6.180579      1.149651
  H      -5.946771      2.186793      7.586560
  H      -6.141313      2.587103      5.860839
  H      -6.501942      4.556372      8.173969
  H      -6.536590      4.979360      6.452732
  H      -8.444858      2.940488      7.749546
  H      -8.817267      4.638260      7.559707
  H      -7.699260      3.471930      2.650377
  H     -12.209182      2.599815      2.848163
  H     -13.890949      2.498062      4.695324
  H     -13.186886      2.879133      7.050411
  H     -10.827119      3.369686      7.591124
  N      -3.094141      3.657871      3.158884
  N      -3.473795      3.885968      2.022283
  H      -2.745795      3.638597      1.315305
98
Coordinates from ORCA-job orca E -6258.290082435434
  N      -2.850373      1.460265      5.078575
  Mo     -3.364617      3.324231      5.078734
  N      -4.413103      3.357822      6.725391
  C      -3.652745      3.459975      7.975603
  C      -2.366544      2.644217      7.850437
  N      -1.632597      3.037135      6.604998
  C      -0.742468      1.960170      6.082594
  C      -1.558178      0.888296      5.333902
  C      -0.895296      4.319413      6.759538
  C      -1.149667      5.156590      5.498705
  N      -2.580231      5.129842      5.291000
  H      -1.044415      0.617497      4.392212
  H      -1.646849     -0.036975      5.932838
  H      -0.040763      2.445246      5.392061
  H      -0.160915      1.529321      6.913549
  H      -0.775952      6.184727      5.630140
  H      -0.622422      4.713362      4.637713
  H      -1.299169      4.848160      7.633266
  H       0.173995      4.125316      6.933883
  H      -4.244007      3.070638      8.821152
  H      -3.422709      4.515039      8.213493
  H      -2.618975      1.580530      7.748845
  H      -1.705893      2.770233      8.724797
  C      -3.803900      0.976996      4.117848
  C      -4.649040     -0.230442      4.548068
  C      -6.044398     -0.230611      3.881336
  C      -5.986477      0.053917      2.404932
  N      -6.116680      1.327737      2.047151
  C      -6.010320      1.626322      0.724518
  N      -5.783495      0.791858     -0.269313
  C      -5.649196     -0.528209      0.070842
  C      -5.405336     -1.480277     -0.948908
  C      -5.257315     -2.813707     -0.624954
  C      -5.348041     -3.247935      0.719132
  C      -5.590107     -2.340568      1.730948
  C      -5.746410     -0.963735      1.431170
  C      -3.349596      6.277690      5.763110
  C      -3.469478      7.408199      4.735697
  C      -4.334978      7.063865      3.525844
  C      -5.819368      6.976504      3.793374
  N      -6.262542      7.283080      5.005129
  C      -7.610230      7.244588      5.210822
  N      -8.551645      6.965890      4.337114
  C      -8.121662      6.650717      3.076698
  C      -9.079499      6.341864      2.082937
  C      -8.669935      5.982873      0.814815
  C      -7.295473      5.922012      0.494861
  C      -6.338195      6.236342      1.441512
  C      -6.729918      6.611159      2.750781
  C      -5.816624      2.987420      6.819054
  C      -6.732368      4.168456      7.150304
  C      -8.217203      3.819266      7.069673
  C      -8.737275      3.577481      5.671541
  N      -7.880080      3.654805      4.662421
  C      -8.356630      3.447183      3.404720
  N      -9.590929      3.155784      3.054915
  C     -10.500024      3.079005      4.073421
  C     -11.853270      2.795442      3.766872
  C     -12.792414      2.728420      4.775893
  C     -12.416602      2.934940      6.125032
  C     -11.103645      3.208895      6.451607
  C     -10.117751      3.289633      5.436295
  H      -3.345103      0.826863      3.122788
  H      -4.552234      1.818804      3.949031
  H      -4.781151     -0.209055      5.639427
  H      -4.098955     -1.150997      4.299455
  H      -6.541721     -1.190722      4.075748
  H      -6.653514      0.561294      4.339803
  H      -6.125569      2.685353      0.471110
  H      -5.343383     -1.126728     -1.978771
  H      -5.071580     -3.546586     -1.412002
  H      -5.230558     -4.307345      0.950960
  H      -5.666554     -2.684525      2.763048
  H      -4.355918      5.939900      6.046495
  H      -2.863399      6.670451      6.676718
  H      -2.460307      7.689396      4.395724
  H      -3.889877      8.284072      5.249979
  H      -4.190191      7.827754      2.742737
  H      -3.995244      6.125003      3.064924
  H      -7.929175      7.484585      6.231050
  H     -10.133891      6.377879      2.358063
  H      -9.410438      5.731491      0.053579
  H      -6.991217      5.626908     -0.510187
  H      -5.281661      6.188505      1.185597
  H      -5.942357      2.180301      7.567857
  H      -6.128001      2.584624      5.842690
  H      -6.505881      4.543530      8.161347
  H      -6.513552      4.980755      6.442951
  H      -8.443650      2.932430      7.688669
  H      -8.813007      4.632372      7.516018
  H      -7.609587      3.533033      2.611814
  H     -12.120930      2.641561      2.720878
  H     -13.835874      2.517769      4.537738
  H     -13.175035      2.878214      6.907309
  H     -10.825469      3.368233      7.493942
  N      -3.144783      3.660204      3.141590
  N      -3.575336      3.883393      2.024098
  H      -2.857737      3.665980      1.290824
98
Coordinates from ORCA-job orca E -6258.291239457985
  N      -2.841874      1.471442      5.051413
  Mo     -3.364602      3.331208      5.071240
  N      -4.409858      3.356592      6.717271
  C      -3.651709      3.456495      7.972036
  C      -2.363053      2.641747      7.846714
  N      -1.626591      3.034129      6.604661
  C      -0.741593      1.956358      6.081568
  C      -1.564140      0.881912      5.341741
  C      -0.889753      4.315423      6.753504
  C      -1.139418      5.148887      5.486440
  N      -2.574330      5.126185      5.281064
  H      -1.039505      0.584753      4.413952
  H      -1.675576     -0.030778      5.955941
  H      -0.041396      2.433885      5.384757
  H      -0.153997      1.521493      6.906477
  H      -0.757555      6.174683      5.610354
  H      -0.615989      4.698965      4.627916
  H      -1.294020      4.849193      7.623910
  H       0.180214      4.127045      6.930832
  H      -4.241610      3.063733      8.816155
  H      -3.424224      4.511259      8.208569
  H      -2.615570      1.578022      7.750527
  H      -1.709158      2.769104      8.726620
  C      -3.804286      0.980312      4.107186
  C      -4.638546     -0.224123      4.562154
  C      -6.044713     -0.232250      3.921690
  C      -6.001418      0.035109      2.438917
  N      -6.130090      1.305821      2.069079
  C      -6.038625      1.588168      0.741037
  N      -5.823389      0.740474     -0.245456
  C      -5.690222     -0.575020      0.108414
  C      -5.460934     -1.539329     -0.901461
  C      -5.316248     -2.869993     -0.563063
  C      -5.396693     -3.285402      0.786104
  C      -5.623220     -2.366716      1.790443
  C      -5.775429     -0.992670      1.476734
  C      -3.332013      6.283939      5.765448
  C      -3.443509      7.416150      4.736621
  C      -4.328668      7.093977      3.537243
  C      -5.810367      7.023614      3.816185
  N      -6.238463      7.314150      5.035527
  C      -7.585676      7.287533      5.253723
  N      -8.538412      7.030720      4.383996
  C      -8.123024      6.734788      3.113790
  C      -9.092705      6.454497      2.125183
  C      -8.696845      6.121947      0.846668
  C      -7.324906      6.055590      0.513185
  C      -6.357889      6.341187      1.456241
  C      -6.733275      6.690646      2.776103
  C      -5.814396      2.985870      6.804165
  C      -6.733152      4.164096      7.135792
  C      -8.213352      3.808289      7.029490
  C      -8.709564      3.574564      5.622776
  N      -7.845643      3.687011      4.624064
  C      -8.307083      3.476283      3.359562
  N      -9.529176      3.149422      2.997866
  C     -10.445474      3.036172      4.007534
  C     -11.786339      2.706794      3.689955
  C     -12.730382      2.602965      4.692612
  C     -12.372419      2.817601      6.043700
  C     -11.071051      3.134796      6.381175
  C     -10.080076      3.251105      5.373564
  H      -3.361715      0.829422      3.104360
  H      -4.554968      1.818199      3.943517
  H      -4.747687     -0.185514      5.656498
  H      -4.095342     -1.149668      4.315144
  H      -6.540120     -1.187451      4.140340
  H      -6.645328      0.568156      4.377030
  H      -6.156039      2.645978      0.478075
  H      -5.407317     -1.197595     -1.935481
  H      -5.141865     -3.614117     -1.341667
  H      -5.282767     -4.342998      1.028675
  H      -5.690387     -2.700086      2.826494
  H      -4.339642      5.954201      6.050679
  H      -2.841442      6.675194      6.676535
  H      -2.437402      7.689570      4.383564
  H      -3.849915      8.294637      5.262361
  H      -4.178469      7.863618      2.759360
  H      -4.009954      6.150274      3.067222
  H      -7.892607      7.517204      6.278772
  H     -10.145046      6.493284      2.410764
  H      -9.446059      5.895484      0.087289
  H      -7.033210      5.780274     -0.501266
  H      -5.303682      6.287652      1.189865
  H      -5.944715      2.171494      7.543781
  H      -6.120325      2.590977      5.822210
  H      -6.519330      4.528574      8.153397
  H      -6.505372      4.983430      6.438721
  H      -8.435071      2.911367      7.636350
  H      -8.822687      4.610278      7.478648
  H      -7.559053      3.594951      2.573254
  H     -12.040963      2.548263      2.641603
  H     -13.765192      2.355376      4.446272
  H     -13.134933      2.731848      6.820930
  H     -10.806383      3.299092      7.425872
  N      -3.209413      3.668629      3.127195
  N      -3.679113      3.891915      2.029361
  H      -2.968283      3.696878      1.270309
98
Coordinates from ORCA-job orca E -6258.292379282741
  N      -2.823018      1.477825      5.031013
  Mo     -3.360334      3.327376      5.060218
  N      -4.401377      3.354056      6.708425
  C      -3.646616      3.457169      7.964034
  C      -2.355523      2.644396      7.845368
  N      -1.617972      3.031999      6.604855
  C      -0.734551      1.953125      6.085302
  C      -1.560521      0.874096      5.356415
  C      -0.884964      4.314644      6.744648
  C      -1.132593      5.138426      5.469666
  N      -2.567948      5.118871      5.263869
  H      -1.025372      0.547824      4.445081
  H      -1.697471     -0.023106      5.988101
  H      -0.037644      2.425536      5.381773
  H      -0.142128      1.520805      6.908145
  H      -0.747264      6.163968      5.584077
  H      -0.612354      4.679199      4.614293
  H      -1.291376      4.855461      7.609535
  H       0.185737      4.133330      6.924686
  H      -4.237605      3.065031      8.807731
  H      -3.421377      4.513206      8.197511
  H      -2.607079      1.579740      7.755015
  H      -1.706793      2.776520      8.728472
  C      -3.791825      0.967449      4.100436
  C      -4.605633     -0.243220      4.575011
  C      -6.020418     -0.269986      3.955402
  C      -6.003214     -0.009303      2.470561
  N      -6.151422      1.259215      2.099609
  C      -6.083348      1.537534      0.769587
  N      -5.873255      0.689115     -0.217057
  C      -5.719789     -0.623225      0.138344
  C      -5.494016     -1.588472     -0.871538
  C      -5.330186     -2.916303     -0.531957
  C      -5.387409     -3.328221      0.819522
  C      -5.609215     -2.409216      1.824385
  C      -5.780479     -1.037641      1.508963
  C      -3.319628      6.276554      5.761645
  C      -3.438838      7.415174      4.739991
  C      -4.345231      7.109401      3.551910
  C      -5.823657      7.051955      3.850836
  N      -6.231535      7.331254      5.080242
  C      -7.575120      7.310587      5.317842
  N      -8.541677      7.068430      4.459184
  C      -8.148252      6.786602      3.178642
  C      -9.134618      6.523413      2.201078
  C      -8.760363      6.204773      0.912639
  C      -7.394083      6.136170      0.557465
  C      -6.411870      6.405003      1.489540
  C      -6.764540      6.739491      2.819488
  C      -5.806648      2.988279      6.790394
  C      -6.725058      4.169043      7.116950
  C      -8.204382      3.815623      6.989855
  C      -8.681306      3.590420      5.574855
  N      -7.805646      3.717606      4.587582
  C      -8.250022      3.511023      3.316438
  N      -9.464226      3.172525      2.938025
  C     -10.392709      3.044557      3.935735
  C     -11.726590      2.703703      3.599929
  C     -12.682548      2.588136      4.589856
  C     -12.344094      2.802076      5.945926
  C     -11.049711      3.129495      6.301213
  C     -10.046768      3.257659      5.306894
  H      -3.358228      0.813114      3.094307
  H      -4.549395      1.797676      3.936550
  H      -4.700284     -0.197425      5.670586
  H      -4.056327     -1.164881      4.327322
  H      -6.502759     -1.228555      4.188425
  H      -6.622547      0.527822      4.413723
  H      -6.217683      2.592619      0.505057
  H      -5.458566     -1.249292     -1.907328
  H      -5.158758     -3.660734     -1.310946
  H      -5.259014     -4.383828      1.063759
  H      -5.658072     -2.740353      2.862301
  H      -4.324809      5.946815      6.054963
  H      -2.820276      6.664147      6.668992
  H      -2.436743      7.682772      4.370876
  H      -3.829445      8.292904      5.278450
  H      -4.197244      7.882617      2.777397
  H      -4.044648      6.164836      3.072437
  H      -7.867109      7.530200      6.349609
  H     -10.181975      6.563530      2.503076
  H      -9.522249      5.991289      0.162193
  H      -7.119107      5.872282     -0.464864
  H      -5.361972      6.351260      1.205658
  H      -5.941865      2.173975      7.529564
  H      -6.109786      2.594207      5.807454
  H      -6.521908      4.529589      8.137908
  H      -6.486017      4.989207      6.425229
  H      -8.433248      2.914522      7.587438
  H      -8.819140      4.614978      7.436092
  H      -7.494665      3.642851      2.538881
  H     -11.966257      2.546549      2.547622
  H     -13.711950      2.332156      4.329098
  H     -13.115680      2.708153      6.712914
  H     -10.799713      3.293421      7.349723
  N      -3.267009      3.670709      3.108169
  N      -3.790133      3.888370      2.033058
  H      -3.104726      3.724938      1.244296
98
Coordinates from ORCA-job orca E -6258.293662523288
  N      -2.805495      1.489592      5.004478
  Mo     -3.358216      3.333993      5.045136
  N      -4.391515      3.355226      6.705220
  C      -3.635905      3.458112      7.954242
  C      -2.342408      2.648544      7.836085
  N      -1.612208      3.035116      6.593517
  C      -0.728805      1.957352      6.077990
  C      -1.557896      0.873267      5.361881
  C      -0.884955      4.320931      6.731369
  C      -1.135046      5.145738      5.458798
  N      -2.569865      5.124381      5.254174
  H      -1.016606      0.516908      4.466835
  H      -1.719849     -0.006963      6.011308
  H      -0.035036      2.422130      5.365691
  H      -0.132005      1.529146      6.899805
  H      -0.752989      6.172217      5.574496
  H      -0.620509      4.689330      4.597968
  H      -1.293193      4.862041      7.594525
  H       0.187057      4.148678      6.911336
  H      -4.221759      3.062901      8.800724
  H      -3.411245      4.515874      8.184546
  H      -2.593714      1.582888      7.751832
  H      -1.695435      2.785257      8.719537
  C      -3.787340      0.954021      4.092718
  C      -4.577864     -0.263842      4.593155
  C      -6.003621     -0.316386      4.005449
  C      -6.031590     -0.064066      2.520158
  N      -6.207873      1.202661      2.155015
  C      -6.178518      1.478970      0.824534
  N      -5.982731      0.633476     -0.165867
  C      -5.801427     -0.674840      0.184016
  C      -5.587173     -1.639927     -0.830420
  C      -5.397987     -2.964352     -0.497649
  C      -5.416497     -3.377115      0.855948
  C      -5.624053     -2.460527      1.865616
  C      -5.820791     -1.090755      1.554439
  C      -3.316799      6.273147      5.777072
  C      -3.438055      7.434701      4.779769
  C      -4.346756      7.157487      3.584710
  C      -5.824992      7.099893      3.885786
  N      -6.227950      7.349973      5.125860
  C      -7.567700      7.318639      5.367548
  N      -8.534598      7.082589      4.508583
  C      -8.149306      6.830933      3.219039
  C      -9.139710      6.572030      2.239803
  C      -8.770873      6.290224      0.940829
  C      -7.405853      6.258134      0.572417
  C      -6.422375      6.516303      1.506084
  C      -6.769871      6.809762      2.848068
  C      -5.793370      2.993547      6.782458
  C      -6.713958      4.179897      7.100142
  C      -8.192203      3.827463      6.948817
  C      -8.644800      3.605434      5.523660
  N      -7.758417      3.757416      4.548394
  C      -8.182918      3.549021      3.271798
  N      -9.383840      3.186604      2.874812
  C     -10.322377      3.031445      3.860042
  C     -11.642347      2.659063      3.505155
  C     -12.606569      2.514841      4.480966
  C     -12.291927      2.732826      5.842415
  C     -11.011599      3.090759      6.216176
  C     -10.000189      3.245777      5.236139
  H      -3.369957      0.790580      3.081586
  H      -4.550809      1.777694      3.926374
  H      -4.652338     -0.209237      5.689816
  H      -4.020168     -1.179523      4.343793
  H      -6.466026     -1.279789      4.260380
  H      -6.607702      0.477915      4.468251
  H      -6.335484      2.529367      0.563096
  H      -5.581357     -1.301262     -1.867459
  H      -5.236528     -3.705372     -1.282300
  H      -5.269500     -4.430572      1.098468
  H      -5.642444     -2.791025      2.904994
  H      -4.323032      5.941812      6.065877
  H      -2.815626      6.645664      6.688666
  H      -2.437007      7.706265      4.408541
  H      -3.823078      8.298359      5.340970
  H      -4.193655      7.945873      2.828330
  H      -4.054023      6.220425      3.088418
  H      -7.864262      7.517732      6.403201
  H     -10.184278      6.587055      2.549774
  H      -9.535158      6.081337      0.191156
  H      -7.132256      6.028091     -0.459177
  H      -5.372778      6.491311      1.210159
  H      -5.934546      2.182259      7.525242
  H      -6.095349      2.597968      5.800332
  H      -6.522025      4.540812      8.122364
  H      -6.460475      4.995642      6.410107
  H      -8.430761      2.925429      7.539113
  H      -8.812982      4.628493      7.383094
  H      -7.425142      3.698883      2.499340
  H     -11.863828      2.499985      2.448458
  H     -13.624179      2.233191      4.203745
  H     -13.068556      2.618624      6.599283
  H     -10.778630      3.258059      7.268592
  N      -3.326498      3.679785      3.086750
  N      -3.894160      3.902466      2.031446
  H      -3.245770      3.766432      1.217718
98
Coordinates from ORCA-job orca E -6258.294934968482
  N      -2.796451      1.507117      4.973502
  Mo     -3.362726      3.342093      5.034278
  N      -4.383878      3.356977      6.701285
  C      -3.627299      3.457441      7.949517
  C      -2.332178      2.650466      7.828616
  N      -1.605736      3.036915      6.586045
  C      -0.727555      1.959413      6.064207
  C      -1.564622      0.876260      5.357643
  C      -0.879578      4.322545      6.716263
  C      -1.132540      5.142054      5.440137
  N      -2.569017      5.126420      5.240801
  H      -1.017698      0.495384      4.476543
  H      -1.750067      0.009909      6.019859
  H      -0.040850      2.422941      5.344241
  H      -0.122356      1.529651      6.879174
  H      -0.745833      6.167563      5.548851
  H      -0.624321      4.679612      4.579010
  H      -1.285301      4.867707      7.578177
  H       0.193592      4.153758      6.893514
  H      -4.211886      3.058962      8.795257
  H      -3.403881      4.514845      8.182413
  H      -2.582408      1.584286      7.745361
  H      -1.685524      2.787493      8.712454
  C      -3.789700      0.955283      4.081842
  C      -4.558281     -0.266080      4.605246
  C      -5.993797     -0.335934      4.043324
  C      -6.051772     -0.100421      2.556035
  N      -6.244210      1.161565      2.179750
  C      -6.241692      1.422743      0.845525
  N      -6.057661      0.567174     -0.138537
  C      -5.860696     -0.736065      0.222963
  C      -5.658203     -1.711519     -0.784274
  C      -5.454375     -3.031083     -0.439722
  C      -5.445496     -3.428661      0.918950
  C      -5.640590     -2.501711      1.921742
  C      -5.851977     -1.136630      1.598287
  C      -3.307394      6.272727      5.781712
  C      -3.429428      7.445346      4.798195
  C      -4.352455      7.188769      3.608970
  C      -5.828386      7.139449      3.923890
  N      -6.216409      7.368653      5.172487
  C      -7.553544      7.336700      5.428584
  N      -8.530638      7.115872      4.576958
  C      -8.160894      6.888100      3.278832
  C      -9.163095      6.647644      2.306936
  C      -8.810241      6.392526      0.998281
  C      -7.450190      6.370741      0.612300
  C      -6.455285      6.609613      1.539326
  C      -6.786094      6.874052      2.891297
  C      -5.786598      2.997713      6.776728
  C      -6.708663      4.182899      7.091560
  C      -8.183135      3.827524      6.914952
  C      -8.605426      3.612331      5.479877
  N      -7.702517      3.791998      4.524640
  C      -8.096145      3.587272      3.238258
  N      -9.280045      3.201120      2.813711
  C     -10.235586      3.017175      3.778036
  C     -11.539273      2.618570      3.393362
  C     -12.520573      2.446124      4.347948
  C     -12.239959      2.662035      5.716835
  C     -10.975864      3.045313      6.119396
  C      -9.947490      3.228642      5.161833
  H      -3.386563      0.789287      3.065599
  H      -4.560157      1.771966      3.920554
  H      -4.614527     -0.203968      5.702628
  H      -3.996501     -1.178585      4.353519
  H      -6.443083     -1.300133      4.317739
  H      -6.595997      0.458752      4.507593
  H      -6.411059      2.469247      0.574154
  H      -5.673487     -1.384577     -1.825202
  H      -5.302270     -3.780047     -1.218722
  H      -5.287270     -4.478482      1.170865
  H      -5.637848     -2.820280      2.965206
  H      -4.312952      5.942473      6.073224
  H      -2.798175      6.633000      6.693703
  H      -2.430356      7.713696      4.419594
  H      -3.801915      8.305311      5.373432
  H      -4.198951      7.983827      2.859703
  H      -4.073462      6.253896      3.100580
  H      -7.838074      7.518585      6.470705
  H     -10.203833      6.655810      2.629838
  H      -9.583634      6.197907      0.253872
  H      -7.189603      6.163453     -0.427073
  H      -5.410244      6.594100      1.229687
  H      -5.929505      2.185178      7.517621
  H      -6.087322      2.603258      5.793736
  H      -6.531108      4.538898      8.117965
  H      -6.445243      5.001385      6.408798
  H      -8.428143      2.920069      7.494111
  H      -8.814909      4.623145      7.343609
  H      -7.326321      3.763284      2.482469
  H     -11.734846      2.462193      2.331560
  H     -13.525480      2.143780      4.047760
  H     -13.029826      2.526102      6.456705
  H     -10.768927      3.211129      7.177120
  N      -3.401038      3.697177      3.074931
  N      -4.016275      3.916218      2.045610
  H      -3.393983      3.804176      1.207263
98
Coordinates from ORCA-job orca E -6258.296093287357
  N      -2.791233      1.528122      4.944179
  Mo     -3.367764      3.353831      5.024852
  N      -4.376657      3.363958      6.698536
  C      -3.619597      3.460956      7.946634
  C      -2.323744      2.654959      7.823001
  N      -1.600219      3.039780      6.580569
  C      -0.729604      1.960993      6.051787
  C      -1.577110      0.880753      5.354373
  C      -0.872901      4.323908      6.702262
  C      -1.127443      5.137605      5.421707
  N      -2.565560      5.130223      5.227529
  H      -1.025484      0.475148      4.487661
  H      -1.788038      0.028751      6.028255
  H      -0.049645      2.422849      5.324360
  H      -0.116474      1.528177      6.859322
  H      -0.734255      6.161453      5.522641
  H      -0.626174      4.667600      4.560868
  H      -1.275109      4.874255      7.562752
  H       0.201245      4.156542      6.876660
  H      -4.203910      3.059367      8.791014
  H      -3.396588      4.517573      8.183140
  H      -2.574243      1.588568      7.740261
  H      -1.677023      2.791144      8.707164
  C      -3.796399      0.961744      4.072811
  C      -4.543928     -0.261195      4.619080
  C      -5.989793     -0.343889      4.084636
  C      -6.079891     -0.124890      2.596211
  N      -6.283502      1.133637      2.208688
  C      -6.307020      1.379787      0.871099
  N      -6.138862      0.513106     -0.106216
  C      -5.932540     -0.786366      0.266902
  C      -5.747130     -1.773242     -0.732912
  C      -5.534968     -3.089105     -0.376495
  C      -5.499427     -3.471512      0.986761
  C      -5.676816     -2.532976      1.982278
  C      -5.896627     -1.171591      1.646574
  C      -3.294765      6.274709      5.783712
  C      -3.415794      7.455941      4.811624
  C      -4.353393      7.217875      3.629070
  C      -5.827180      7.180361      3.957120
  N      -6.200873      7.389272      5.213041
  C      -7.535880      7.358349      5.482336
  N      -8.522871      7.154659      4.637722
  C      -8.167650      6.950701      3.332343
  C      -9.181058      6.730955      2.367679
  C      -8.843559      6.502550      1.050497
  C      -7.488472      6.489227      0.648385
  C      -6.482320      6.706153      1.569080
  C      -6.797117      6.941231      2.929815
  C      -5.780236      3.005768      6.771829
  C      -6.706478      4.186524      7.084770
  C      -8.175079      3.821370      6.883343
  C      -8.562886      3.609721      5.438979
  N      -7.642943      3.823932      4.507380
  C      -7.999926      3.620995      3.211190
  N      -9.161046      3.201907      2.755963
  C     -10.134277      2.982056      3.695693
  C     -11.416210      2.548937      3.277505
  C     -12.415592      2.341338      4.207099
  C     -12.175387      2.556589      5.583146
  C     -10.932933      2.973702      6.018006
  C      -9.886822      3.192858      5.086873
  H      -3.407894      0.793022      3.051695
  H      -4.572505      1.772544      3.917085
  H      -4.580713     -0.192384      5.716864
  H      -3.980023     -1.171323      4.363704
  H      -6.427539     -1.307474      4.378690
  H      -6.587197      0.452533      4.551422
  H      -6.482617      2.423776      0.589528
  H      -5.782651     -1.458001     -1.777326
  H      -5.396416     -3.846910     -1.149489
  H      -5.334826     -4.518518      1.247884
  H      -5.653724     -2.839421      3.029462
  H      -4.299885      5.946155      6.077403
  H      -2.777921      6.623640      6.695885
  H      -2.418552      7.719071      4.425218
  H      -3.774413      8.313898      5.398726
  H      -4.197602      8.017003      2.884391
  H      -4.089722      6.283283      3.111737
  H      -7.808545      7.522838      6.530332
  H     -10.218122      6.733677      2.702585
  H      -9.625734      6.323880      0.311021
  H      -7.240628      6.305149     -0.397712
  H      -5.442425      6.699488      1.246998
  H      -5.923223      2.190797      7.509670
  H      -6.079348      2.612929      5.787576
  H      -6.544655      4.538716      8.114998
  H      -6.436285      5.008430      6.409002
  H      -8.422308      2.907338      7.451197
  H      -8.822175      4.608566      7.305518
  H      -7.217550      3.830123      2.475121
  H     -11.581106      2.394457      2.211069
  H     -13.403545      2.011926      3.881209
  H     -12.979321      2.393269      6.302998
  H     -10.757002      3.139178      7.080637
  N      -3.474280      3.716548      3.067078
  N      -4.133100      3.930439      2.064283
  H      -3.536047      3.842264      1.204039
98
Coordinates from ORCA-job orca E -6258.290451227581
  N      -2.753055      1.512677      4.896982
  Mo     -3.372546      3.339182      5.021282
  N      -4.331720      3.312137      6.723946
  C      -3.550267      3.418882      7.950165
  C      -2.240751      2.643904      7.786774
  N      -1.559429      3.057582      6.520584
  C      -0.672396      2.001946      5.959933
  C      -1.502335      0.908533      5.280098
  C      -0.859267      4.365524      6.640831
  C      -1.163322      5.195894      5.388426
  N      -2.603518      5.150289      5.231450
  H      -0.966309      0.518231      4.394412
  H      -1.659705      0.055073      5.961054
  H      -0.025874      2.483838      5.213661
  H      -0.026616      1.584049      6.750661
  H      -0.794461      6.228452      5.500102
  H      -0.670437      4.756836      4.504203
  H      -1.256236      4.891224      7.517859
  H       0.220675      4.220517      6.789747
  H      -4.104905      3.003093      8.808390
  H      -3.343547      4.478888      8.184740
  H      -2.468723      1.573662      7.707387
  H      -1.572571      2.792039      8.651057
  C      -3.777024      0.927627      4.063975
  C      -4.479752     -0.325283      4.630340
  C      -5.934094     -0.473707      4.149882
  C      -6.080310     -0.271594      2.670379
  N      -6.370172      0.957631      2.309254
  C      -6.477286      1.195171      0.984928
  N      -6.308276      0.345888     -0.006847
  C      -6.001840     -0.927519      0.341700
  C      -5.804717     -1.893430     -0.670071
  C      -5.492828     -3.185627     -0.338754
  C      -5.369878     -3.564593      1.012052
  C      -5.558670     -2.645818      2.020923
  C      -5.877377     -1.306111      1.710967
  C      -3.365827      6.259437      5.836102
  C      -3.563953      7.497891      4.936126
  C      -4.498261      7.287784      3.755629
  C      -5.955164      7.119372      4.088401
  N      -6.337000      7.214046      5.360198
  C      -7.656158      7.054886      5.630406
  N      -8.624288      6.815419      4.775424
  C      -8.265128      6.725885      3.452837
  C      -9.258078      6.472784      2.473432
  C      -8.905272      6.362621      1.138788
  C      -7.553981      6.501816      0.736842
  C      -6.572502      6.751962      1.669425
  C      -6.904473      6.869908      3.046161
  C      -5.726446      2.930096      6.793431
  C      -6.627587      4.152296      7.065314
  C      -8.108817      3.896287      6.800455
  C      -8.466199      3.716628      5.327322
  N      -7.516768      3.832493      4.409072
  C      -7.854162      3.647324      3.096218
  N      -9.034988      3.349476      2.605547
  C     -10.034255      3.234698      3.521599
  C     -11.338248      2.921686      3.066952
  C     -12.363565      2.818001      3.969398
  C     -12.133413      3.017716      5.358234
  C     -10.872554      3.315092      5.832122
  C      -9.797935      3.424910      4.928701
  H      -3.417461      0.763458      3.028853
  H      -4.576136      1.711910      3.934108
  H      -4.488265     -0.263053      5.730797
  H      -3.898323     -1.218413      4.353229
  H      -6.321703     -1.456678      4.456636
  H      -6.552504      0.298235      4.638703
  H      -6.745215      2.208641      0.727332
  H      -5.910695     -1.581136     -1.704825
  H      -5.343781     -3.929309     -1.122764
  H      -5.127359     -4.595196      1.255564
  H      -5.466294     -2.953262      3.059013
  H      -4.356576      5.880554      6.130149
  H      -2.849923      6.589823      6.754102
  H      -2.588610      7.841185      4.552468
  H      -3.957402      8.294550      5.583368
  H      -4.403812      8.140754      3.065086
  H      -4.180180      6.411236      3.173702
  H      -7.934705      7.132697      6.687965
  H     -10.289389      6.359382      2.806661
  H      -9.668059      6.160802      0.389456
  H      -7.289888      6.408037     -0.325487
  H      -5.519661      6.854907      1.346146
  H      -5.894704      2.117117      7.530982
  H      -6.003125      2.535395      5.804720
  H      -6.475571      4.501911      8.098355
  H      -6.303545      4.956210      6.390122
  H      -8.454185      3.013719      7.364102
  H      -8.701457      4.736645      7.189217
  H      -7.046090      3.760158      2.392851
  H     -11.495923      2.775571      1.988035
  H     -13.370055      2.581587      3.614356
  H     -12.958793      2.937086      6.053206
  H     -10.704538      3.470655      6.907691
  N      -3.579960      3.714741      3.092710
  N      -4.327010      3.926625      2.133583
  H      -3.809322      3.876465      1.226842
98
Coordinates from ORCA-job orca E -6258.292455453443
  N      -2.740341      1.514604      4.884796
  Mo     -3.366628      3.333311      5.008865
  N      -4.335736      3.311452      6.704999
  C      -3.564594      3.421077      7.937638
  C      -2.253694      2.645125      7.790113
  N      -1.560474      3.051971      6.529805
  C      -0.674107      1.993085      5.977152
  C      -1.504755      0.900070      5.298706
  C      -0.860082      4.358774      6.645095
  C      -1.153134      5.178176      5.381698
  N      -2.592711      5.141504      5.215678
  H      -0.956896      0.490778      4.429196
  H      -1.687010      0.058026      5.988181
  H      -0.024907      2.471890      5.231005
  H      -0.030880      1.575854      6.770442
  H      -0.778291      6.209593      5.483959
  H      -0.658332      4.725828      4.505344
  H      -1.262301      4.892870      7.514731
  H       0.219137      4.214652      6.802215
  H      -4.128098      3.008243      8.791554
  H      -3.359630      4.481575      8.171467
  H      -2.482125      1.574638      7.712352
  H      -1.594488      2.795270      8.660963
  C      -3.760482      0.917343      4.053077
  C      -4.451835     -0.338783      4.625049
  C      -5.905900     -0.497937      4.146894
  C      -6.055544     -0.299683      2.667223
  N      -6.351948      0.927350      2.301861
  C      -6.457176      1.161413      0.976219
  N      -6.281199      0.310744     -0.012998
  C      -5.969441     -0.960926      0.339985
  C      -5.764738     -1.928614     -0.669023
  C      -5.446842     -3.218636     -0.333226
  C      -5.324221     -3.593952      1.019305
  C      -5.520275     -2.673226      2.025200
  C      -5.845870     -1.335845      1.710497
  C      -3.348700      6.255555      5.818604
  C      -3.545212      7.488552      4.911567
  C      -4.499243      7.278779      3.746514
  C      -5.953348      7.139030      4.103657
  N      -6.312547      7.251605      5.380342
  C      -7.629948      7.117878      5.673156
  N      -8.616338      6.892332      4.836007
  C      -8.280119      6.786816      3.508640
  C      -9.293777      6.549392      2.547092
  C      -8.964378      6.418628      1.208497
  C      -7.616665      6.521982      0.784411
  C      -6.614962      6.758216      1.699074
  C      -6.923336      6.897595      3.079097
  C      -5.732113      2.930614      6.767565
  C      -6.634063      4.151340      7.040810
  C      -8.115644      3.895175      6.775637
  C      -8.475612      3.717904      5.303200
  N      -7.526289      3.826114      4.384080
  C      -7.866510      3.639912      3.072226
  N      -9.049424      3.348733      2.583055
  C     -10.048714      3.244098      3.500009
  C     -11.355554      2.941846      3.046588
  C     -12.381323      2.847082      3.949942
  C     -12.148520      3.045307      5.338670
  C     -10.884910      3.332986      5.811053
  C      -9.810022      3.434612      4.906464
  H      -3.396276      0.750607      3.020346
  H      -4.563763      1.696449      3.918235
  H      -4.459681     -0.273598      5.725236
  H      -3.864527     -1.228660      4.350110
  H      -6.286279     -1.483150      4.455374
  H      -6.528797      0.270213      4.635481
  H      -6.727238      2.173980      0.714450
  H      -5.870083     -1.619426     -1.705134
  H      -5.292099     -3.963472     -1.115088
  H      -5.076468     -4.622741      1.266299
  H      -5.428374     -2.977194      3.064689
  H      -4.338793      5.881613      6.120502
  H      -2.825727      6.588691      6.731630
  H      -2.570965      7.815155      4.511232
  H      -3.918858      8.296275      5.556523
  H      -4.401749      8.121644      3.043851
  H      -4.203789      6.390340      3.171003
  H      -7.889447      7.206895      6.734667
  H     -10.322056      6.462057      2.897417
  H      -9.743178      6.226856      0.473190
  H      -7.371033      6.410651     -0.280351
  H      -5.565515      6.833975      1.358809
  H      -5.901612      2.116517      7.503473
  H      -6.006362      2.537132      5.777692
  H      -6.483974      4.499734      8.074432
  H      -6.309367      4.956202      6.367217
  H      -8.460619      3.010627      7.336744
  H      -8.708458      4.734449      7.166598
  H      -7.058275      3.744822      2.367773
  H     -11.514944      2.796034      1.968112
  H     -13.389926      2.619105      3.595938
  H     -12.974262      2.971222      6.034587
  H     -10.714783      3.487322      6.886212
  N      -3.603269      3.712680      3.081472
  N      -4.381935      3.915762      2.146532
  H      -3.889481      3.890147      1.226418
98
Coordinates from ORCA-job orca E -6258.294706232415
  N      -2.721278      1.533038      4.861963
  Mo     -3.360916      3.340735      4.999374
  N      -4.332050      3.312163      6.691546
  C      -3.569687      3.416668      7.931514
  C      -2.255084      2.645272      7.790792
  N      -1.555773      3.054209      6.537421
  C      -0.670622      1.997652      5.982761
  C      -1.505123      0.904401      5.308269
  C      -0.859199      4.360779      6.650411
  C      -1.146565      5.173716      5.379119
  N      -2.586861      5.140655      5.206478
  H      -0.945797      0.472206      4.457586
  H      -1.716103      0.076411      6.007232
  H      -0.025285      2.477123      5.233854
  H      -0.022241      1.578513      6.770831
  H      -0.768886      6.204468      5.476396
  H      -0.649603      4.714872      4.507681
  H      -1.265976      4.898419      7.516150
  H       0.220252      4.221865      6.812477
  H      -4.138984      2.998032      8.778412
  H      -3.369343      4.476193      8.172189
  H      -2.480215      1.574096      7.710286
  H      -1.603773      2.794773      8.667980
  C      -3.743455      0.923657      4.040271
  C      -4.416917     -0.332938      4.627055
  C      -5.880462     -0.497042      4.176593
  C      -6.060774     -0.302039      2.698593
  N      -6.354268      0.928636      2.332278
  C      -6.475961      1.160514      1.005879
  N      -6.320498      0.304410      0.017684
  C      -6.016198     -0.970846      0.371701
  C      -5.835645     -1.944343     -0.636661
  C      -5.526033     -3.237791     -0.299479
  C      -5.386636     -3.609795      1.053296
  C      -5.557810     -2.683140      2.058464
  C      -5.875112     -1.342908      1.742581
  C      -3.338739      6.254151      5.816587
  C      -3.533990      7.485270      4.909360
  C      -4.498118      7.276077      3.750760
  C      -5.952542      7.149494      4.116618
  N      -6.301927      7.255935      5.395720
  C      -7.619259      7.127849      5.696947
  N      -8.613283      6.911420      4.865518
  C      -8.286792      6.813861      3.535628
  C      -9.309059      6.588714      2.580608
  C      -8.991828      6.472546      1.238751
  C      -7.648515      6.578276      0.804917
  C      -6.637473      6.799674      1.714320
  C      -6.932451      6.923234      3.097770
  C      -5.732068      2.938644      6.741929
  C      -6.634749      4.152635      7.029357
  C      -8.112719      3.887311      6.754729
  C      -8.455789      3.725042      5.278885
  N      -7.498029      3.873214      4.373372
  C      -7.817828      3.697984      3.055742
  N      -8.986488      3.377192      2.550588
  C      -9.995808      3.232711      3.454667
  C     -11.288877      2.900836      2.983256
  C     -12.324504      2.767084      3.874059
  C     -12.115186      2.955754      5.266589
  C     -10.864813      3.272253      5.755972
  C      -9.780273      3.413492      4.864927
  H      -3.386370      0.757888      3.005456
  H      -4.551431      1.698459      3.908740
  H      -4.404694     -0.263670      5.726926
  H      -3.830944     -1.221289      4.344319
  H      -6.251494     -1.481677      4.496738
  H      -6.495206      0.271210      4.674100
  H      -6.737738      2.177929      0.742599
  H      -5.953152     -1.637032     -1.672816
  H      -5.390425     -3.987532     -1.080115
  H      -5.145638     -4.641045      1.300780
  H      -5.453210     -2.984730      3.098190
  H      -4.328233      5.880544      6.118939
  H      -2.812479      6.584406      6.728952
  H      -2.561186      7.807065      4.502283
  H      -3.899940      8.296120      5.555532
  H      -4.397415      8.114336      3.042511
  H      -4.213655      6.380755      3.179366
  H      -7.869717      7.211125      6.760851
  H     -10.334853      6.501407      2.938388
  H      -9.777915      6.291674      0.507275
  H      -7.414110      6.480027     -0.262109
  H      -5.594393      6.881027      1.366741
  H      -5.905816      2.114554      7.464915
  H      -6.003958      2.559103      5.745825
  H      -6.491627      4.488448      8.067745
  H      -6.308816      4.966808      6.368028
  H      -8.450912      2.990135      7.300121
  H      -8.718120      4.713610      7.155101
  H      -7.002176      3.835874      2.360823
  H     -11.430390      2.764090      1.902504
  H     -13.322331      2.516035      3.506512
  H     -12.948704      2.851637      5.952540
  H     -10.712953      3.419409      6.833432
  N      -3.632049      3.723236      3.073394
  N      -4.428311      3.918081      2.154956
  H      -3.944433      3.907308      1.227548
98
Coordinates from ORCA-job orca E -6258.296953814145
  N      -2.692638      1.543004      4.832524
  Mo     -3.353682      3.339896      4.982825
  N      -4.332168      3.294859      6.670219
  C      -3.580431      3.397993      7.917121
  C      -2.257905      2.639024      7.786595
  N      -1.552481      3.054870      6.541650
  C      -0.661345      2.005911      5.985448
  C      -1.491069      0.910626      5.310701
  C      -0.864779      4.364170      6.656510
  C      -1.145449      5.170480      5.378466
  N      -2.585217      5.138784      5.195229
  H      -0.918767      0.460513      4.478348
  H      -1.725056      0.095249      6.017991
  H      -0.020805      2.491205      5.235929
  H      -0.008467      1.588729      6.771015
  H      -0.768287      6.201696      5.472607
  H      -0.642933      4.707130      4.512806
  H      -1.280821      4.902957      7.517471
  H       0.214879      4.232655      6.826846
  H      -4.154766      2.970334      8.756040
  H      -3.390750      4.457555      8.165962
  H      -2.473053      1.565918      7.701582
  H      -1.616998      2.791616      8.671008
  C      -3.713077      0.918313      4.020323
  C      -4.368164     -0.340408      4.620153
  C      -5.837697     -0.512903      4.191727
  C      -6.041417     -0.329465      2.714952
  N      -6.340542      0.898903      2.338383
  C      -6.477962      1.118360      1.010175
  N      -6.335710      0.251434      0.029371
  C      -6.029307     -1.022021      0.393806
  C      -5.863662     -2.007166     -0.606627
  C      -5.552149     -3.298471     -0.258657
  C      -5.394914     -3.657104      1.096840
  C      -5.551053     -2.718588      2.093841
  C      -5.870408     -1.380633      1.766818
  C      -3.337160      6.249922      5.807598
  C      -3.529566      7.482101      4.902489
  C      -4.507371      7.281910      3.752390
  C      -5.960073      7.178564      4.136026
  N      -6.290481      7.286310      5.419387
  C      -7.605251      7.171258      5.738639
  N      -8.613168      6.966644      4.921371
  C      -8.306071      6.872066      3.587506
  C      -9.343810      6.662412      2.646766
  C      -9.047628      6.550368      1.300516
  C      -7.710970      6.646376      0.847542
  C      -6.683814      6.850827      1.743170
  C      -6.957088      6.968765      3.130770
  C      -5.734344      2.922446      6.714178
  C      -6.638556      4.131078      7.012266
  C      -8.115440      3.865411      6.729868
  C      -8.449355      3.720068      5.251834
  N      -7.483804      3.880316      4.357070
  C      -7.791322      3.720907      3.035710
  N      -8.955637      3.406438      2.517144
  C      -9.973622      3.251006      3.410814
  C     -11.262652      2.927459      2.924799
  C     -12.306776      2.781534      3.805390
  C     -12.110149      2.950789      5.201662
  C     -10.864117      3.260451      5.704641
  C      -9.771088      3.413358      4.824375
  H      -3.359563      0.751266      2.985246
  H      -4.529344      1.685661      3.892036
  H      -4.340687     -0.268261      5.719374
  H      -3.780911     -1.225983      4.331737
  H      -6.199040     -1.497148      4.523292
  H      -6.448216      0.255353      4.693383
  H      -6.740690      2.134836      0.737674
  H      -5.994167     -1.710495     -1.644894
  H      -5.428370     -4.056934     -1.032882
  H      -5.152584     -4.686569      1.352684
  H      -5.433049     -3.008756      3.135869
  H      -4.327233      5.876995      6.107274
  H      -2.809915      6.575775      6.721274
  H      -2.557189      7.794016      4.487841
  H      -3.882182      8.296302      5.551757
  H      -4.401681      8.116415      3.039996
  H      -4.241197      6.380282      3.181547
  H      -7.839498      7.253045      6.806202
  H     -10.364830      6.582751      3.018992
  H      -9.846054      6.380345      0.579714
  H      -7.493864      6.552925     -0.222389
  H      -5.648049      6.926916      1.381188
  H      -5.907211      2.094375      7.432143
  H      -6.006249      2.548586      5.715782
  H      -6.500969      4.456423      8.054492
  H      -6.310420      4.951954      6.360690
  H      -8.455074      2.960291      7.261414
  H      -8.724808      4.686273      7.136594
  H      -6.967355      3.867831      2.349440
  H     -11.394175      2.805894      1.842161
  H     -13.300924      2.536317      3.426634
  H     -12.950119      2.837546      5.879899
  H     -10.722282      3.393560      6.784156
  N      -3.647227      3.731849      3.059616
  N      -4.452406      3.921968      2.150880
  H      -3.968882      3.932801      1.222905
98
Coordinates from ORCA-job orca E -6258.298851196090
  N      -2.661255      1.551219      4.804673
  Mo     -3.342036      3.338014      4.963919
  N      -4.334678      3.283135      6.642625
  C      -3.597298      3.386663      7.898572
  C      -2.269154      2.635256      7.784734
  N      -1.551931      3.053486      6.550061
  C      -0.655053      2.009676      5.998430
  C      -1.479924      0.912580      5.323030
  C      -0.870447      4.363848      6.668255
  C      -1.138257      5.162585      5.381971
  N      -2.576920      5.133640      5.184403
  H      -0.891903      0.440675      4.514536
  H      -1.744004      0.112791      6.038274
  H      -0.015888      2.497612      5.249585
  H      -0.000890      1.594444      6.783962
  H      -0.759960      6.193607      5.472872
  H      -0.629144      4.692754      4.524167
  H      -1.297643      4.905103      7.522360
  H       0.208190      4.238011      6.850915
  H      -4.180250      2.954568      8.729151
  H      -3.415961      4.446668      8.151859
  H      -2.477322      1.560624      7.698051
  H      -1.641425      2.791345      8.678169
  C      -3.678858      0.909585      4.000689
  C      -4.313107     -0.350455      4.616246
  C      -5.789588     -0.531142      4.214984
  C      -6.021917     -0.349924      2.741094
  N      -6.331976      0.878533      2.365286
  C      -6.490025      1.095645      1.037624
  N      -6.360165      0.225992      0.057391
  C      -6.045415     -1.047097      0.420860
  C      -5.893329     -2.035110     -0.579647
  C      -5.573689     -3.325724     -0.232679
  C      -5.394038     -3.680975      1.121776
  C      -5.535959     -2.739724      2.118535
  C      -5.863622     -1.402806      1.792512
  C      -3.328177      6.243387      5.798972
  C      -3.516039      7.471858      4.889729
  C      -4.507214      7.274616      3.749348
  C      -5.958174      7.194517      4.148390
  N      -6.272516      7.304769      5.434907
  C      -7.586351      7.208370      5.768203
  N      -8.606977      7.019818      4.961993
  C      -8.315771      6.925296      3.625244
  C      -9.367414      6.734964      2.695766
  C      -9.088352      6.625661      1.346596
  C      -7.755688      6.704703      0.878819
  C      -6.714564      6.888727      1.763688
  C      -6.970131      7.003826      3.154126
  C      -5.739949      2.916052      6.678033
  C      -6.645051      4.119958      6.985891
  C      -8.120759      3.851974      6.698160
  C      -8.452240      3.718632      5.220454
  N      -7.485128      3.891560      4.330052
  C      -7.790049      3.739932      3.007862
  N      -8.952582      3.422107      2.485906
  C      -9.973034      3.255195      3.376429
  C     -11.260128      2.929339      2.886653
  C     -12.306207      2.771615      3.764670
  C     -12.113158      2.931479      5.161555
  C     -10.868835      3.243681      5.667635
  C      -9.773883      3.408473      4.790042
  H      -3.327245      0.739518      2.965936
  H      -4.502358      1.669382      3.869872
  H      -4.266635     -0.274009      5.714472
  H      -3.725319     -1.233513      4.321536
  H      -6.139201     -1.516363      4.555448
  H      -6.394421      0.234473      4.726415
  H      -6.758867      2.112769      0.765627
  H      -6.040624     -1.741146     -1.617011
  H      -5.460704     -4.086145     -1.006628
  H      -5.145799     -4.709806      1.376729
  H      -5.400698     -3.026787      3.159797
  H      -4.318730      5.872104      6.097503
  H      -2.800603      6.568474      6.712737
  H      -2.544183      7.771473      4.465437
  H      -3.854993      8.292795      5.537945
  H      -4.396887      8.102085      3.029295
  H      -4.258336      6.364400      3.183475
  H      -7.807674      7.292064      6.838209
  H     -10.385556      6.668239      3.078978
  H      -9.897896      6.470250      0.634082
  H      -7.552739      6.613818     -0.192982
  H      -5.683783      6.952748      1.390943
  H      -5.913270      2.083894      7.390590
  H      -6.011929      2.548949      5.677060
  H      -6.512764      4.435216      8.031743
  H      -6.314436      4.947309      6.344192
  H      -8.458124      2.939624      7.218922
  H      -8.734003      4.666879      7.112046
  H      -6.963603      3.895208      2.323138
  H     -11.388586      2.815194      1.804092
  H     -13.298483      2.524243      3.383034
  H     -12.954391      2.809200      5.838357
  H     -10.729968      3.369935      6.747068
  N      -3.655971      3.735334      3.043844
  N      -4.474113      3.920615      2.148077
  H      -3.998671      3.944575      1.215294
98
Coordinates from ORCA-job orca E -6258.300842426924
  N      -2.636032      1.568806      4.761805
  Mo     -3.340367      3.345626      4.945869
  N      -4.340004      3.262081      6.620743
  C      -3.612724      3.358487      7.883652
  C      -2.277372      2.620553      7.774370
  N      -1.555449      3.053722      6.549703
  C      -0.651192      2.021353      5.990458
  C      -1.470039      0.925891      5.308512
  C      -0.881913      4.366058      6.680920
  C      -1.142205      5.167558      5.395383
  N      -2.580138      5.139207      5.186203
  H      -0.870063      0.441111      4.516902
  H      -1.756471      0.135491      6.026599
  H      -0.017823      2.520360      5.243883
  H       0.007539      1.605054      6.771656
  H      -0.766181      6.198976      5.491423
  H      -0.626372      4.700946      4.540256
  H      -1.318955      4.901300      7.534141
  H       0.195917      4.244170      6.872759
  H      -4.199433      2.912707      8.704056
  H      -3.442613      4.416957      8.151188
  H      -2.474296      1.544430      7.677367
  H      -1.658140      2.775189      8.674305
  C      -3.654429      0.912849      3.970306
  C      -4.267314     -0.349980      4.598919
  C      -5.750745     -0.540921      4.226795
  C      -6.011213     -0.374445      2.755342
  N      -6.333679      0.849116      2.366680
  C      -6.510939      1.050521      1.036925
  N      -6.391300      0.168274      0.066293
  C      -6.067358     -1.100558      0.442949
  C      -5.926575     -2.101891     -0.547243
  C      -5.597160     -3.387846     -0.186841
  C      -5.395289     -3.725591      1.170526
  C      -5.525726     -2.770831      2.156659
  C      -5.863634     -1.438766      1.816902
  C      -3.332323      6.245651      5.801796
  C      -3.504826      7.473981      4.891731
  C      -4.497437      7.282613      3.750195
  C      -5.949228      7.225715      4.154954
  N      -6.254263      7.339434      5.442640
  C      -7.568206      7.261518      5.784440
  N      -8.597288      7.086051      4.985744
  C      -8.314325      6.988422      3.647778
  C      -9.374405      6.812369      2.725420
  C      -9.106087      6.705945      1.374485
  C      -7.776230      6.773105      0.896713
  C      -6.725342      6.939104      1.774907
  C      -6.970356      7.051511      3.167346
  C      -5.747584      2.896302      6.650653
  C      -6.654265      4.090871      6.980906
  C      -8.128761      3.822005      6.687846
  C      -8.455965      3.713688      5.209570
  N      -7.485846      3.912088      4.327474
  C      -7.783963      3.781256      3.002674
  N      -8.942540      3.463047      2.471506
  C      -9.966738      3.271648      3.354792
  C     -11.249321      2.944436      2.855124
  C     -12.298577      2.758359      3.726566
  C     -12.112940      2.891991      5.126029
  C     -10.873034      3.206536      5.640945
  C      -9.774999      3.399360      4.770342
  H      -3.309795      0.743605      2.933426
  H      -4.487613      1.664338      3.843667
  H      -4.199652     -0.272344      5.695666
  H      -3.679542     -1.229576      4.294291
  H      -6.087492     -1.525485      4.581039
  H      -6.349741      0.224448      4.743974
  H      -6.785693      2.065155      0.753774
  H      -6.090107     -1.821864     -1.586972
  H      -5.493036     -4.158217     -0.952398
  H      -5.139552     -4.750712      1.435734
  H      -5.373552     -3.043064      3.200380
  H      -4.327107      5.878788      6.089920
  H      -2.809805      6.562613      6.721675
  H      -2.528083      7.761173      4.470789
  H      -3.836751      8.300389      5.536869
  H      -4.376983      8.103908      3.024440
  H      -4.260065      6.365499      3.189446
  H      -7.781047      7.348807      6.855718
  H     -10.390838      6.755928      3.115639
  H      -9.922863      6.561708      0.666977
  H      -7.582678      6.685742     -0.175984
  H      -5.698559      6.992778      1.395586
  H      -5.917090      2.055371      7.353011
  H      -6.023024      2.541994      5.646055
  H      -6.525801      4.386902      8.032507
  H      -6.323800      4.930671      6.355779
  H      -8.464333      2.898687      7.190055
  H      -8.746485      4.627699      7.115012
  H      -6.952120      3.950277      2.323331
  H     -11.371827      2.850553      1.771599
  H     -13.286761      2.508448      3.337433
  H     -12.956310      2.747391      5.798440
  H     -10.740309      3.312882      6.721667
  N      -3.674291      3.760627      3.035025
  N      -4.493079      3.950666      2.141414
  H      -4.014463      3.989855      1.209720
98
Coordinates from ORCA-job orca E -6258.303414389039
  N      -2.610385      1.580292      4.724917
  Mo     -3.335298      3.347859      4.925894
  N      -4.342893      3.246977      6.597052
  C      -3.626825      3.340780      7.867269
  C      -2.285763      2.612078      7.768527
  N      -1.556372      3.051896      6.552326
  C      -0.647733      2.025854      5.991996
  C      -1.463375      0.931658      5.306479
  C      -0.888446      4.365697      6.690251
  C      -1.138990      5.165865      5.401452
  N      -2.576498      5.139584      5.179248
  H      -0.851063      0.429183      4.535933
  H      -1.776871      0.154465      6.028357
  H      -0.017176      2.530056      5.246391
  H       0.013314      1.609080      6.771113
  H      -0.763155      6.197252      5.498645
  H      -0.617042      4.697815      4.551061
  H      -1.334622      4.899682      7.539724
  H       0.188362      4.247712      6.891870
  H      -4.219048      2.887294      8.679440
  H      -3.465734      4.398713      8.142672
  H      -2.474766      1.534707      7.667443
  H      -1.676553      2.768145      8.675207
  C      -3.628805      0.906766      3.945601
  C      -4.218698     -0.358384      4.589300
  C      -5.707858     -0.561130      4.246503
  C      -5.998058     -0.402576      2.779253
  N      -6.338088      0.817080      2.388406
  C      -6.537990      1.010606      1.059469
  N      -6.426517      0.123499      0.092073
  C      -6.087153     -1.141490      0.471187
  C      -5.954635     -2.147903     -0.515749
  C      -5.609439     -3.429726     -0.152922
  C      -5.382323     -3.758579      1.203529
  C      -5.504014     -2.798721      2.186098
  C      -5.858154     -1.470987      1.843794
  C      -3.329149      6.243864      5.797175
  C      -3.495672      7.471776      4.886455
  C      -4.497465      7.285845      3.751083
  C      -5.947378      7.247948      4.167358
  N      -6.239557      7.359196      5.457787
  C      -7.551765      7.295297      5.811003
  N      -8.590531      7.134887      5.021297
  C      -8.320085      7.041226      3.680828
  C      -9.390523      6.882343      2.767331
  C      -9.135829      6.782762      1.413728
  C      -7.809956      6.840165      0.923626
  C      -6.748506      6.987371      1.793158
  C      -6.979619      7.092189      3.188344
  C      -5.753200      2.884623      6.620922
  C      -6.659648      4.074448      6.964456
  C      -8.133344      3.807019      6.665440
  C      -8.455879      3.713599      5.186400
  N      -7.482628      3.925884      4.310995
  C      -7.774974      3.806060      2.984433
  N      -8.930552      3.487739      2.446054
  C      -9.958534      3.283896      3.323283
  C     -11.238138      2.957547      2.815768
  C     -12.290810      2.757254      3.681365
  C     -12.111489      2.876315      5.082386
  C     -10.874556      3.190711      5.604466
  C      -9.773160      3.397863      4.739949
  H      -3.289332      0.735396      2.907747
  H      -4.471073      1.649235      3.819289
  H      -4.130889     -0.277460      5.684256
  H      -3.629994     -1.234408      4.276554
  H      -6.029807     -1.546734      4.610976
  H      -6.302183      0.201317      4.772472
  H      -6.823957      2.022789      0.773905
  H      -6.137031     -1.875063     -1.554731
  H      -5.511834     -4.203694     -0.915773
  H      -5.114295     -4.780413      1.470633
  H      -5.332347     -3.063249      3.229186
  H      -4.325411      5.878780      6.081326
  H      -2.808242      6.557010      6.719371
  H      -2.518390      7.748492      4.460243
  H      -3.816492      8.302663      5.531556
  H      -4.372505      8.102179      3.020366
  H      -4.273849      6.363200      3.193208
  H      -7.753940      7.380483      6.884384
  H     -10.404044      6.833854      3.166533
  H      -9.960922      6.651378      0.712823
  H      -7.627644      6.759247     -0.150831
  H      -5.726109      7.033803      1.404968
  H      -5.922342      2.038124      7.316210
  H      -6.030190      2.539341      5.613673
  H      -6.534975      4.358016      8.019766
  H      -6.326876      4.921416      6.350415
  H      -8.469864      2.877366      7.155377
  H      -8.753237      4.607973      7.099371
  H      -6.938946      3.982705      2.309492
  H     -11.355533      2.874884      1.731627
  H     -13.276268      2.507335      3.286177
  H     -12.957280      2.720605      5.750707
  H     -10.746972      3.286200      6.685949
  N      -3.698009      3.772304      3.023337
  N      -4.530167      3.960241      2.142419
  H      -4.062223      4.014371      1.205763
98
Coordinates from ORCA-job orca E -6258.304202533084
  N      -2.577293      1.578424      4.707847
  Mo     -3.322993      3.334846      4.911324
  N      -4.341721      3.227621      6.575581
  C      -3.638771      3.326968      7.852784
  C      -2.291357      2.608095      7.768885
  N      -1.555007      3.049380      6.559902
  C      -0.638380      2.029537      6.004588
  C      -1.447541      0.929746      5.322397
  C      -0.896365      4.366290      6.696037
  C      -1.136953      5.155814      5.397374
  N      -2.572513      5.126934      5.163621
  H      -0.823860      0.409236      4.573745
  H      -1.782322      0.167740      6.050978
  H      -0.011494      2.535646      5.257570
  H       0.026225      1.617990      6.783508
  H      -0.762715      6.188186      5.489108
  H      -0.607567      4.681292      4.555435
  H      -1.353822      4.904185      7.537164
  H       0.179507      4.256874      6.908761
  H      -4.236644      2.869809      8.659042
  H      -3.488185      4.386371      8.129082
  H      -2.471481      1.528776      7.670709
  H      -1.693454      2.771626      8.681811
  C      -3.594585      0.890704      3.938772
  C      -4.168000     -0.373879      4.595627
  C      -5.662664     -0.579642      4.278145
  C      -5.980141     -0.415597      2.816247
  N      -6.334293      0.805524      2.437341
  C      -6.561346      1.004329      1.113093
  N      -6.465133      0.121448      0.140277
  C      -6.112362     -1.143996      0.506829
  C      -5.996080     -2.145302     -0.487146
  C      -5.638142     -3.427581     -0.137243
  C      -5.382341     -3.761458      1.212827
  C      -5.487771     -2.806754      2.202227
  C      -5.854036     -1.478902      1.873378
  C      -3.330021      6.226802      5.783599
  C      -3.496684      7.458099      4.877776
  C      -4.508648      7.285148      3.748757
  C      -5.956917      7.258538      4.173445
  N      -6.240680      7.356904      5.466498
  C      -7.551960      7.298825      5.826484
  N      -8.596909      7.154398      5.041432
  C      -8.335118      7.076717      3.698865
  C      -9.412076      6.936221      2.790725
  C      -9.166439      6.853208      1.434735
  C      -7.843926      6.909917      0.937287
  C      -6.776295      7.040015      1.801852
  C      -6.997058      7.125847      3.199267
  C      -5.755818      2.876521      6.594942
  C      -6.658027      4.068736      6.939538
  C      -8.131601      3.803584      6.637112
  C      -8.453000      3.711623      5.158733
  N      -7.479404      3.929062      4.285635
  C      -7.770247      3.808721      2.959052
  N      -8.923968      3.484027      2.419601
  C      -9.953654      3.276931      3.294972
  C     -11.231954      2.947577      2.785669
  C     -12.286585      2.748287      3.649629
  C     -12.109925      2.870542      5.050246
  C     -10.873784      3.186527      5.573923
  C      -9.770487      3.393136      4.711185
  H      -3.259506      0.715764      2.900660
  H      -4.441874      1.625712      3.812323
  H      -4.062327     -0.290629      5.688735
  H      -3.582124     -1.248895      4.275365
  H      -5.975622     -1.566540      4.646365
  H      -6.248907      0.180021      4.816538
  H      -6.858578      2.017042      0.837598
  H      -6.200756     -1.868379     -1.520906
  H      -5.552969     -4.197783     -0.905206
  H      -5.104881     -4.783500      1.469578
  H      -5.293879     -3.075425      3.240363
  H      -4.325597      5.857624      6.063877
  H      -2.812242      6.537268      6.708318
  H      -2.521130      7.731259      4.445938
  H      -3.808229      8.288148      5.528436
  H      -4.380366      8.103388      3.020813
  H      -4.297636      6.362586      3.186126
  H      -7.746948      7.373441      6.901833
  H     -10.423295      6.888428      3.195636
  H      -9.996643      6.735964      0.737441
  H      -7.669240      6.842371     -0.138869
  H      -5.757626      7.086783      1.408294
  H      -5.929364      2.031398      7.290491
  H      -6.033435      2.532436      5.587404
  H      -6.536924      4.348245      7.996546
  H      -6.320418      4.917212      6.330227
  H      -8.469146      2.872585      7.124483
  H      -8.751400      4.603678      7.072509
  H      -6.933695      3.993729      2.285217
  H     -11.347095      2.863305      1.701767
  H     -13.271178      2.497262      3.253261
  H     -12.957222      2.716386      5.717232
  H     -10.748498      3.284839      6.655029
  N      -3.690296      3.754202      3.008255
  N      -4.516386      3.932427      2.122568
  H      -4.036561      3.990067      1.190806
98
Coordinates from ORCA-job orca E -6258.305086630996
  N      -2.550691      1.588227      4.671865
  Mo     -3.319281      3.331577      4.892488
  N      -4.347375      3.210931      6.549601
  C      -3.655135      3.313628      7.832347
  C      -2.303034      2.603644      7.755885
  N      -1.561173      3.050659      6.553944
  C      -0.636787      2.038518      5.997942
  C      -1.439859      0.937083      5.317432
  C      -0.907760      4.369031      6.694468
  C      -1.139911      5.152495      5.391150
  N      -2.574003      5.124629      5.152476
  H      -0.806847      0.400258      4.588985
  H      -1.795354      0.189035      6.050937
  H      -0.016872      2.550967      5.250008
  H       0.032895      1.631292      6.774714
  H      -0.765023      6.184991      5.479238
  H      -0.606849      4.672995      4.555105
  H      -1.373770      4.907324      7.530726
  H       0.166506      4.261763      6.916471
  H      -4.257363      2.851341      8.632351
  H      -3.514220      4.373302      8.113281
  H      -2.474640      1.523065      7.655790
  H      -1.711602      2.770364      8.672769
  C      -3.573148      0.886113      3.921533
  C      -4.126835     -0.379431      4.591679
  C      -5.625710     -0.595443      4.297700
  C      -5.965669     -0.439145      2.839620
  N      -6.339199      0.776874      2.458096
  C      -6.590370      0.967383      1.135576
  N      -6.500247      0.079401      0.166496
  C      -6.127067     -1.181193      0.535211
  C      -6.017006     -2.186795     -0.455501
  C      -5.639110     -3.464094     -0.103488
  C      -5.357152     -3.788017      1.244364
  C      -5.456647     -2.828525      2.230294
  C      -5.842617     -1.505992      1.899819
  C      -3.331368      6.217577      5.781473
  C      -3.485284      7.453528      4.882946
  C      -4.502727      7.290470      3.757645
  C      -5.948613      7.281368      4.191513
  N      -6.221246      7.379689      5.486129
  C      -7.531741      7.341244      5.856216
  N      -8.585879      7.215020      5.079553
  C      -8.333822      7.135852      3.735436
  C      -9.419592      7.011118      2.836349
  C      -9.184809      6.925545      1.478779
  C      -7.865128      6.964270      0.970829
  C      -6.788382      7.080567      1.826836
  C      -6.997915      7.167567      3.225662
  C      -5.763629      2.864433      6.562906
  C      -6.665694      4.052559      6.918414
  C      -8.138388      3.789329      6.611116
  C      -8.457760      3.707554      5.133211
  N      -7.482501      3.934750      4.265320
  C      -7.770112      3.821676      2.937945
  N      -8.922032      3.497111      2.394033
  C      -9.954283      3.282527      3.264447
  C     -11.230715      2.954196      2.749510
  C     -12.288147      2.746736      3.608987
  C     -12.115096      2.858953      5.009961
  C     -10.880308      3.173160      5.538694
  C      -9.774461      3.388396      4.680845
  H      -3.247186      0.708472      2.881067
  H      -4.427486      1.609833      3.795931
  H      -4.004345     -0.293990      5.682428
  H      -3.541727     -1.251957      4.263919
  H      -5.926658     -1.583062      4.673393
  H      -6.207158      0.161876      4.843224
  H      -6.905126      1.976151      0.859064
  H      -6.242193     -1.917649     -1.487508
  H      -5.558464     -4.238076     -0.868257
  H      -5.064468     -4.806153      1.501900
  H      -5.242940     -3.089342      3.266972
  H      -4.328982      5.849564      6.054756
  H      -2.816206      6.515441      6.711988
  H      -2.507013      7.717310      4.451815
  H      -3.787083      8.286488      5.534674
  H      -4.369343      8.104758      3.026329
  H      -4.304401      6.364253      3.195642
  H      -7.715525      7.418365      6.933166
  H     -10.428803      6.976623      3.249293
  H     -10.022205      6.819977      0.787761
  H      -7.700115      6.894624     -0.106174
  H      -5.772462      7.110406      1.426324
  H      -5.937268      2.014551      7.252136
  H      -6.039724      2.528026      5.552251
  H      -6.549255      4.319006      7.979731
  H      -6.327321      4.910066      6.321878
  H      -8.477201      2.854642      7.090982
  H      -8.759457      4.585716      7.052333
  H      -6.930514      4.014653      2.268164
  H     -11.342635      2.877534      1.665862
  H     -13.271558      2.496517      3.208893
  H     -12.964558      2.697966      5.673469
  H     -10.758449      3.263336      6.619836
  N      -3.710831      3.754427      3.001152
  N      -4.542630      3.927387      2.119028
  H      -4.064928      3.987421      1.184094
98
Coordinates from ORCA-job orca E -6258.305783022683
  N      -2.521510      1.584067      4.646745
  Mo     -3.312647      3.318578      4.874300
  N      -4.361735      3.179443      6.519658
  C      -3.682812      3.287310      7.810313
  C      -2.323463      2.589155      7.744854
  N      -1.574063      3.045174      6.551465
  C      -0.633344      2.041982      6.001159
  C      -1.422268      0.934463      5.314684
  C      -0.927359      4.365517      6.706086
  C      -1.145048      5.150559      5.401011
  N      -2.576935      5.117925      5.146442
  H      -0.779265      0.391252      4.600370
  H      -1.789207      0.192367      6.049274
  H      -0.015221      2.562607      5.257619
  H       0.035340      1.641488      6.782153
  H      -0.774649      6.184122      5.494330
  H      -0.599948      4.673852      4.571793
  H      -1.407352      4.899708      7.537043
  H       0.143990      4.259782      6.943968
  H      -4.289048      2.817511      8.603017
  H      -3.555156      4.347604      8.096365
  H      -2.483968      1.507121      7.642964
  H      -1.741152      2.761171      8.666971
  C      -3.547247      0.875011      3.908235
  C      -4.098055     -0.389575      4.581728
  C      -5.597897     -0.609806      4.290707
  C      -5.939822     -0.463234      2.831412
  N      -6.333955      0.745621      2.440790
  C      -6.596041      0.924546      1.116665
  N      -6.497350      0.029925      0.154103
  C      -6.100389     -1.222907      0.531155
  C      -5.979572     -2.234213     -0.453474
  C      -5.578195     -3.503754     -0.093213
  C      -5.283917     -3.813706      1.256443
  C      -5.394270     -2.848442      2.236378
  C      -5.803713     -1.533858      1.897767
  C      -3.339410      6.204614      5.776859
  C      -3.473667      7.446679      4.885854
  C      -4.486856      7.298408      3.753778
  C      -5.934589      7.306799      4.185293
  N      -6.204922      7.409517      5.479416
  C      -7.516564      7.396177      5.851120
  N      -8.574572      7.288738      5.076266
  C      -8.323926      7.202806      3.732943
  C      -9.413128      7.093444      2.836666
  C      -9.182113      7.000068      1.480011
  C      -7.863232      7.016441      0.969709
  C      -6.782579      7.120057      1.823058
  C      -6.987461      7.211980      3.221377
  C      -5.782458      2.847362      6.532042
  C      -6.678008      4.036564      6.899856
  C      -8.154279      3.777108      6.607212
  C      -8.494609      3.698689      5.136389
  N      -7.529857      3.925965      4.257144
  C      -7.839333      3.821894      2.934689
  N      -9.002957      3.508055      2.407588
  C     -10.025459      3.294644      3.291658
  C     -11.312954      2.980979      2.794459
  C     -12.360721      2.776851      3.668703
  C     -12.164964      2.877114      5.066253
  C     -10.918466      3.176473      5.577197
  C      -9.822538      3.388881      4.704050
  H      -3.226145      0.693353      2.867144
  H      -4.405244      1.593666      3.780746
  H      -3.972491     -0.303784      5.671407
  H      -3.513750     -1.261715      4.252147
  H      -5.895843     -1.595975      4.671845
  H      -6.179179      0.148722      4.833016
  H      -6.930508      1.927662      0.834155
  H      -6.214922     -1.976005     -1.486962
  H      -5.488917     -4.282071     -0.852890
  H      -4.973034     -4.825595      1.519911
  H      -5.170942     -3.098203      3.274605
  H      -4.341368      5.839550      6.034857
  H      -2.836052      6.489604      6.718183
  H      -2.488889      7.701301      4.464852
  H      -3.772406      8.281316      5.536837
  H      -4.342012      8.113018      3.024894
  H      -4.296868      6.371514      3.189042
  H      -7.696981      7.480029      6.927850
  H     -10.422123      7.076074      3.251486
  H     -10.022806      6.906112      0.790931
  H      -7.702111      6.941725     -0.106350
  H      -5.769576      7.130667      1.421471
  H      -5.958271      1.999926      7.223243
  H      -6.062962      2.513479      5.521728
  H      -6.554528      4.292219      7.963410
  H      -6.343163      4.900912      6.310847
  H      -8.490210      2.843095      7.091346
  H      -8.768200      4.574975      7.056986
  H      -7.007154      4.017077      2.252080
  H     -11.441693      2.913526      1.713439
  H     -13.352599      2.538688      3.282775
  H     -13.006777      2.718691      5.742033
  H     -10.779629      3.257383      6.655649
  N      -3.675105      3.747642      2.984251
  N      -4.460631      3.926712      2.064363
  H      -3.934827      3.968650      1.151445
98
Coordinates from ORCA-job orca E -6258.306362173360
  N      -2.501322      1.596182      4.604736
  Mo     -3.317306      3.316355      4.860533
  N      -4.367404      3.156288      6.503474
  C      -3.693749      3.263631      7.797154
  C      -2.328859      2.577384      7.728884
  N      -1.581811      3.044359      6.538701
  C      -0.633610      2.050485      5.983374
  C      -1.418275      0.942106      5.297327
  C      -0.940104      4.366221      6.702159
  C      -1.154035      5.153017      5.398045
  N      -2.585165      5.119332      5.139762
  H      -0.769490      0.386311      4.598404
  H      -1.802267      0.210776      6.034261
  H      -0.024492      2.579301      5.237987
  H       0.042037      1.653319      6.760071
  H      -0.784152      6.186757      5.492151
  H      -0.605924      4.676983      4.570655
  H      -1.426522      4.896214      7.532065
  H       0.129985      4.262170      6.946450
  H      -4.298135      2.783217      8.584702
  H      -3.576961      4.322784      8.091800
  H      -2.480614      1.494527      7.623191
  H      -1.747848      2.750360      8.651978
  C      -3.538669      0.874406      3.893447
  C      -4.062777     -0.394827      4.578894
  C      -5.565188     -0.633335      4.312596
  C      -5.931807     -0.495011      2.858469
  N      -6.355650      0.705589      2.471945
  C      -6.645747      0.876985      1.151880
  N      -6.546395     -0.018157      0.189467
  C      -6.117049     -1.262257      0.562027
  C      -5.993573     -2.272799     -0.423243
  C      -5.560318     -3.533696     -0.067514
  C      -5.236396     -3.835038      1.277526
  C      -5.349000     -2.870114      2.257911
  C      -5.790359     -1.564409      1.924186
  C      -3.349210      6.199084      5.778272
  C      -3.467691      7.449493      4.898044
  C      -4.479122      7.313457      3.762683
  C      -5.926630      7.334163      4.194822
  N      -6.193061      7.434000      5.489799
  C      -7.503718      7.433536      5.865554
  N      -8.564742      7.338705      5.093479
  C      -8.317580      7.252608      3.749014
  C      -9.410102      7.152752      2.856086
  C      -9.183942      7.060322      1.498539
  C      -7.866851      7.067451      0.983887
  C      -6.782347      7.161630      1.834003
  C      -6.982410      7.252618      3.233404
  C      -5.789015      2.827854      6.510636
  C      -6.682654      4.013691      6.890442
  C      -8.158500      3.759711      6.592639
  C      -8.495237      3.691329      5.121571
  N      -7.526898      3.921115      4.246892
  C      -7.833287      3.825657      2.923247
  N      -8.996916      3.519438      2.391624
  C     -10.023454      3.305648      3.271300
  C     -11.311324      3.002407      2.768667
  C     -12.363261      2.797489      3.638812
  C     -12.170442      2.886237      5.036966
  C     -10.923379      3.175240      5.552925
  C      -9.823612      3.388903      4.684253
  H      -3.235913      0.692170      2.846668
  H      -4.406348      1.581685      3.773863
  H      -3.920133     -0.308410      5.666266
  H      -3.475033     -1.260892      4.239487
  H      -5.845048     -1.622226      4.700473
  H      -6.146272      0.119291      4.862604
  H      -7.005450      1.873109      0.873631
  H      -6.252408     -2.021320     -1.452958
  H      -5.468745     -4.311796     -0.827312
  H      -4.900628     -4.840157      1.536962
  H      -5.102795     -3.113335      3.292690
  H      -4.354693      5.835788      6.023587
  H      -2.854091      6.469409      6.728622
  H      -2.478554      7.697849      4.483534
  H      -3.761770      8.284143      5.551325
  H      -4.327223      8.127094      3.033991
  H      -4.296705      6.385203      3.196788
  H      -7.679150      7.516494      6.943189
  H     -10.417940      7.143300      3.274211
  H     -10.027621      6.974191      0.811760
  H      -7.710378      6.993101     -0.092660
  H      -5.770992      7.162310      1.429617
  H      -5.966175      1.974650      7.194288
  H      -6.067934      2.504439      5.496534
  H      -6.562312      4.255383      7.957763
  H      -6.346043      4.886344      6.314812
  H      -8.499359      2.824391      7.070800
  H      -8.770824      4.556890      7.046893
  H      -6.997310      4.020005      2.244098
  H     -11.437421      2.943337      1.687377
  H     -13.355650      2.567240      3.249218
  H     -13.015573      2.726666      5.709441
  H     -10.787174      3.246874      6.631893
  N      -3.722131      3.754570      2.986827
  N      -4.514100      3.930711      2.069961
  H      -3.990548      3.980156      1.154385
98
Coordinates from ORCA-job orca E -6258.306898868242
  N      -2.489901      1.603824      4.564886
  Mo     -3.319535      3.317546      4.844399
  N      -4.375857      3.145010      6.482647
  C      -3.706068      3.254554      7.778819
  C      -2.339799      2.571469      7.710555
  N      -1.591909      3.041531      6.520422
  C      -0.639977      2.048367      5.968705
  C      -1.423223      0.942379      5.280146
  C      -0.946012      4.361310      6.693153
  C      -1.154390      5.154216      5.392102
  N      -2.584872      5.123957      5.130747
  H      -0.770373      0.376204      4.593680
  H      -1.824368      0.220175      6.016550
  H      -0.031165      2.578910      5.224016
  H       0.034062      1.653158      6.747687
  H      -0.782016      6.186667      5.489919
  H      -0.605382      4.679855      4.564499
  H      -1.434475      4.888503      7.523571
  H       0.122246      4.250849      6.942484
  H      -4.310821      2.770948      8.564273
  H      -3.593830      4.313439      8.075427
  H      -2.489661      1.488528      7.604315
  H      -1.758308      2.745069      8.633296
  C      -3.541960      0.874427      3.880411
  C      -4.049432     -0.396518      4.575239
  C      -5.550449     -0.654266      4.317067
  C      -5.926367     -0.528373      2.864351
  N      -6.382647      0.659734      2.475987
  C      -6.688225      0.818859      1.157055
  N      -6.572575     -0.077316      0.197191
  C      -6.106715     -1.308332      0.571460
  C      -5.963048     -2.318800     -0.411440
  C      -5.494452     -3.567032     -0.053723
  C      -5.154368     -3.855202      1.290608
  C      -5.286102     -2.889922      2.268525
  C      -5.763230     -1.596933      1.932718
  C      -3.347169      6.196047      5.782145
  C      -3.454745      7.456744      4.916347
  C      -4.466457      7.330711      3.780220
  C      -5.913324      7.357070      4.214665
  N      -6.175809      7.465213      5.509645
  C      -7.485195      7.479606      5.889268
  N      -8.549213      7.390803      5.120483
  C      -8.305877      7.291459      3.776189
  C      -9.402186      7.193301      2.887411
  C      -9.180751      7.084990      1.530376
  C      -7.864729      7.073776      1.011878
  C      -6.776407      7.167332      1.857807
  C      -6.971901      7.275088      3.256863
  C      -5.798549      2.820152      6.484954
  C      -6.688925      4.006324      6.871477
  C      -8.166329      3.759435      6.576228
  C      -8.507384      3.690965      5.106700
  N      -7.538775      3.909402      4.230048
  C      -7.849980      3.814354      2.907396
  N      -9.018763      3.521898      2.378859
  C     -10.045413      3.320375      3.260914
  C     -11.338398      3.033253      2.761259
  C     -12.390564      2.840314      3.633923
  C     -12.191967      2.924610      5.031365
  C     -10.939736      3.198171      5.544326
  C      -9.840131      3.400791      4.673057
  H      -3.256683      0.688025      2.829307
  H      -4.415601      1.574530      3.764426
  H      -3.903375     -0.305787      5.661457
  H      -3.454744     -1.257747      4.235782
  H      -5.815585     -1.645181      4.710204
  H      -6.138163      0.092965      4.866789
  H      -7.077292      1.804369      0.878457
  H      -6.235421     -2.077826     -1.440429
  H      -5.387393     -4.345290     -0.811424
  H      -4.790874     -4.850594      1.551346
  H      -5.027679     -3.123191      3.302911
  H      -4.355444      5.834433      6.017715
  H      -2.857714      6.449905      6.740161
  H      -2.463326      7.702258      4.505776
  H      -3.745016      8.289087      5.574108
  H      -4.312494      8.144426      3.052169
  H      -4.288525      6.402633      3.212105
  H      -7.656038      7.571645      6.966859
  H     -10.409161      7.198130      3.308553
  H     -10.027523      6.999845      0.846843
  H      -7.712550      6.986324     -0.064204
  H      -5.766166      7.151736      1.450877
  H      -5.979060      1.964879      7.165050
  H      -6.075059      2.502978      5.468272
  H      -6.566472      4.240182      7.940681
  H      -6.352079      4.883492      6.302426
  H      -8.512382      2.828022      7.058662
  H      -8.772493      4.561557      7.030474
  H      -7.013553      4.000185      2.226016
  H     -11.468594      2.976593      1.680591
  H     -13.387080      2.622631      3.247007
  H     -13.037271      2.773773      5.705715
  H     -10.799388      3.265999      6.622788
  N      -3.768247      3.764145      2.991221
  N      -4.568374      3.940146      2.080294
  H      -4.054082      3.990356      1.159103
98
Coordinates from ORCA-job orca E -6258.307472470601
  N      -2.485841      1.607227      4.530986
  Mo     -3.323596      3.317796      4.833918
  N      -4.386178      3.133731      6.467278
  C      -3.718935      3.243495      7.766251
  C      -2.352006      2.561777      7.696752
  N      -1.604090      3.034614      6.505426
  C      -0.649661      2.040305      5.957590
  C      -1.432320      0.937779      5.263500
  C      -0.951946      4.351375      6.688707
  C      -1.154050      5.152972      5.391873
  N      -2.583856      5.126897      5.126149
  H      -0.776798      0.365352      4.585069
  H      -1.847130      0.221225      5.996939
  H      -0.037728      2.571326      5.215500
  H       0.019943      1.644596      6.739875
  H      -0.778572      6.183673      5.495534
  H      -0.603688      4.681485      4.563417
  H      -1.441150      4.875468      7.520585
  H       0.114296      4.233100      6.942093
  H      -4.323743      2.756787      8.549686
  H      -3.609696      4.301940      8.064594
  H      -2.501922      1.479029      7.589775
  H      -1.769085      2.734847      8.618627
  C      -3.553803      0.874651      3.872064
  C      -4.046415     -0.398075      4.573707
  C      -5.543991     -0.675677      4.316456
  C      -5.922301     -0.558140      2.863766
  N      -6.413243      0.616626      2.478288
  C      -6.727193      0.767985      1.160187
  N      -6.586444     -0.122925      0.198689
  C      -6.081395     -1.339301      0.569872
  C      -5.907597     -2.342789     -0.415237
  C      -5.400418     -3.576729     -0.060391
  C      -5.051132     -3.856838      1.283208
  C      -5.211584     -2.898134      2.263329
  C      -5.727838     -1.619488      1.930309
  C      -3.344327      6.196099      5.784541
  C      -3.437535      7.465159      4.929302
  C      -4.446429      7.348668      3.790017
  C      -5.893515      7.379550      4.222914
  N      -6.155829      7.504248      5.516636
  C      -7.464407      7.531632      5.896373
  N      -8.528195      7.439958      5.128180
  C      -8.285269      7.317863      3.785321
  C      -9.382094      7.211577      2.898109
  C      -9.161653      7.079061      1.543052
  C      -7.845948      7.049201      1.025071
  C      -6.757225      7.151199      1.869257
  C      -6.951838      7.285852      3.266370
  C      -5.810128      2.813198      6.466369
  C      -6.695733      4.003141      6.853171
  C      -8.176044      3.762972      6.566275
  C      -8.528989      3.688413      5.100002
  N      -7.564752      3.887745      4.214087
  C      -7.889408      3.790325      2.894484
  N      -9.067468      3.514098      2.377574
  C     -10.089602      3.333075      3.269556
  C     -11.391872      3.065688      2.782270
  C     -12.439560      2.894059      3.664983
  C     -12.226345      2.979547      5.060147
  C     -10.964747      3.233743      5.561181
  C      -9.869893      3.415518      4.679416
  H      -3.287907      0.685274      2.816008
  H      -4.432127      1.571046      3.762365
  H      -3.902496     -0.302566      5.659722
  H      -3.441864     -1.253736      4.237444
  H      -5.795496     -1.669592      4.711490
  H      -6.141882      0.064396      4.864775
  H      -7.147681      1.741325      0.885070
  H      -6.188455     -2.108259     -1.443419
  H      -5.270088     -4.349905     -0.819689
  H      -4.657340     -4.841282      1.541612
  H      -4.946207     -3.125996      3.297180
  H      -4.356764      5.838923      6.008948
  H      -2.863156      6.437074      6.750103
  H      -2.442995      7.706879      4.524104
  H      -3.725563      8.296112      5.589697
  H      -4.289286      8.162977      3.063221
  H      -4.270919      6.420844      3.220648
  H      -7.634377      7.638639      6.972787
  H     -10.388698      7.230611      3.319081
  H     -10.008807      6.987609      0.860985
  H      -7.694941      6.940316     -0.049387
  H      -5.746954      7.118570      1.462936
  H      -5.995167      1.958888      7.146541
  H      -6.084589      2.498578      5.448552
  H      -6.567953      4.236205      7.922267
  H      -6.358788      4.880510      6.284028
  H      -8.525426      2.838063      7.058905
  H      -8.773318      4.572339      7.019801
  H      -7.056469      3.959522      2.204974
  H     -11.533118      3.007113      1.703004
  H     -13.443528      2.692151      3.287836
  H     -13.068263      2.844867      5.742280
  H     -10.813207      3.301943      6.638188
  N      -3.818889      3.774280      3.000897
  N      -4.624609      3.951052      2.093519
  H      -4.117539      4.004294      1.168140
98
Coordinates from ORCA-job orca E -6258.308071913991
  N      -2.488564      1.610914      4.501208
  Mo     -3.327296      3.321661      4.824895
  N      -4.397196      3.128642      6.453084
  C      -3.732189      3.236411      7.754940
  C      -2.366306      2.552343      7.684307
  N      -1.617348      3.026926      6.491698
  C      -0.662412      2.029380      5.947329
  C      -1.445707      0.932480      5.245179
  C      -0.956101      4.339299      6.686082
  C      -1.150324      5.151127      5.394159
  N      -2.579330      5.131786      5.123493
  H      -0.788691      0.357236      4.570722
  H      -1.871596      0.218294      5.973719
  H      -0.044496      2.560182      5.209794
  H       0.000035      1.630692      6.733920
  H      -0.770774      6.179486      5.505624
  H      -0.598652      4.683068      4.564423
  H      -1.444778      4.860783      7.519908
  H       0.107944      4.210384      6.943001
  H      -4.338684      2.748221      8.536147
  H      -3.622753      4.294082      8.055204
  H      -2.518715      1.470212      7.575258
  H      -1.781274      2.722861      8.605167
  C      -3.571542      0.878913      3.863471
  C      -4.054432     -0.394969      4.569092
  C      -5.547034     -0.692102      4.305540
  C      -5.921024     -0.584425      2.851232
  N      -6.444355      0.575226      2.464328
  C      -6.759205      0.716906      1.145155
  N      -6.588485     -0.169076      0.183930
  C      -6.047378     -1.369435      0.556684
  C      -5.838828     -2.366621     -0.428111
  C      -5.295822     -3.584755     -0.071387
  C      -4.944560     -3.854875      1.273800
  C      -5.138487     -2.902014      2.253619
  C      -5.691255     -1.639190      1.918464
  C      -3.337096      6.198322      5.788739
  C      -3.418754      7.475358      4.944389
  C      -4.424200      7.366648      3.801612
  C      -5.871804      7.395848      4.232967
  N      -6.135054      7.539140      5.524699
  C      -7.443140      7.575490      5.903362
  N      -8.506107      7.476538      5.135257
  C      -8.262562      7.329589      3.794962
  C      -9.359198      7.211733      2.908722
  C      -9.138536      7.052074      1.556640
  C      -7.822635      7.004394      1.040845
  C      -6.734204      7.118950      1.883789
  C      -6.929218      7.283634      3.277779
  C      -5.823044      2.814516      6.449397
  C      -6.701417      4.011785      6.831008
  C      -8.185551      3.778780      6.557880
  C      -8.553955      3.689709      5.096134
  N      -7.595886      3.861361      4.198285
  C      -7.936541      3.754174      2.883100
  N      -9.124963      3.494680      2.381139
  C     -10.140422      3.341809      3.285583
  C     -11.452740      3.094137      2.814201
  C     -12.493942      2.950996      3.709347
  C     -12.263474      3.045259      5.101388
  C     -10.991808      3.280621      5.587104
  C      -9.903676      3.434384      4.692264
  H      -3.322780      0.687455      2.803350
  H      -4.452681      1.574341      3.760044
  H      -3.918336     -0.294282      5.655579
  H      -3.438523     -1.245159      4.239492
  H      -5.786801     -1.688677      4.701642
  H      -6.157528      0.040929      4.849253
  H      -7.208160      1.677179      0.869404
  H      -6.122479     -2.140250     -1.457353
  H      -5.138652     -4.353251     -0.830379
  H      -4.522504     -4.827206      1.533601
  H      -4.871944     -3.122765      3.288738
  H      -4.353198      5.845363      6.003789
  H      -2.862442      6.426767      6.760615
  H      -2.421530      7.715312      4.544836
  H      -3.706498      8.303813      5.607841
  H      -4.266828      8.183664      3.077943
  H      -4.247175      6.441212      3.228910
  H      -7.613254      7.699174      6.978007
  H     -10.365941      7.244159      3.328329
  H      -9.985460      6.951168      0.875590
  H      -7.671788      6.871723     -0.031035
  H      -5.723680      7.070982      1.479469
  H      -6.014734      1.964589      7.133110
  H      -6.095887      2.498578      5.431774
  H      -6.564954      4.251020      7.898022
  H      -6.364567      4.884848      6.254545
  H      -8.538012      2.863929      7.067222
  H      -8.771792      4.598895      7.006470
  H      -7.108578      3.902814      2.183445
  H     -11.607166      3.027580      1.737056
  H     -13.505817      2.764719      3.344592
  H     -13.100451      2.932327      5.793232
  H     -10.826956      3.355218      6.661890
  N      -3.865383      3.789414      3.012770
  N      -4.673252      3.968553      2.107059
  H      -4.171508      4.024493      1.179119
98
Coordinates from ORCA-job orca E -6258.308680446540
  N      -2.494033      1.614501      4.474966
  Mo     -3.331317      3.326178      4.818634
  N      -4.407443      3.124397      6.442148
  C      -3.744221      3.229381      7.746651
  C      -2.379555      2.542585      7.674265
  N      -1.630130      3.018857      6.480283
  C      -0.675744      2.018035      5.938093
  C      -1.460524      0.927142      5.228067
  C      -0.959784      4.326709      6.685112
  C      -1.146006      5.148427      5.398017
  N      -2.574258      5.136170      5.122632
  H      -0.802665      0.349916      4.556298
  H      -1.896182      0.214506      5.951395
  H      -0.051641      2.548216      5.205190
  H      -0.020193      1.615163      6.728061
  H      -0.762111      6.174268      5.517253
  H      -0.593260      4.683506      4.567021
  H      -1.447672      4.845938      7.520769
  H       0.102099      4.187677      6.945025
  H      -4.352211      2.739624      8.525656
  H      -3.634073      4.286234      8.048847
  H      -2.534821      1.461130      7.563133
  H      -1.792364      2.710250      8.594079
  C      -3.591097      0.884314      3.856451
  C      -4.064475     -0.390921      4.565055
  C      -5.551703     -0.706393      4.294032
  C      -5.920059     -0.606099      2.837891
  N      -6.471994      0.539598      2.450839
  C      -6.785151      0.674371      1.130558
  N      -6.585773     -0.204717      0.168566
  C      -6.013186     -1.390155      0.541679
  C      -5.771770     -2.379083     -0.443821
  C      -5.197415     -3.582510     -0.086445
  C      -4.847010     -3.845725      1.260231
  C      -5.072517     -2.900702      2.240828
  C      -5.657166     -1.652557      1.904778
  C      -3.329236      6.201369      5.793505
  C      -3.400130      7.484984      4.957912
  C      -4.401740      7.383281      3.811496
  C      -5.850216      7.409794      4.239821
  N      -6.116534      7.573079      5.528729
  C      -7.424811      7.615669      5.904095
  N      -8.485490      7.505738      5.134694
  C      -8.239192      7.333095      3.797858
  C      -9.333822      7.199855      2.911157
  C      -9.110427      7.013001      1.562971
  C      -7.793556      6.951104      1.051908
  C      -6.707277      7.081484      1.895033
  C      -6.905118      7.276138      3.284880
  C      -5.835138      2.816972      6.436508
  C      -6.706026      4.022799      6.809265
  C      -8.193890      3.796463      6.550439
  C      -8.578438      3.691167      5.093791
  N      -7.627960      3.835553      4.183328
  C      -7.985503      3.716970      2.873284
  N      -9.183750      3.471897      2.387514
  C     -10.191188      3.347223      3.305061
  C     -11.513038      3.116928      2.851010
  C     -12.546273      3.002352      3.759283
  C     -12.297749      3.107788      5.147526
  C     -11.016517      3.326470      5.616577
  C      -9.936523      3.451976      4.707911
  H      -3.359237      0.692098      2.792393
  H      -4.474486      1.579729      3.760849
  H      -3.936907     -0.285152      5.652143
  H      -3.436946     -1.235432      4.242655
  H      -5.780855     -1.705595      4.690302
  H      -6.174588      0.019464      4.833279
  H      -7.259358      1.622225      0.855147
  H      -6.056025     -2.158452     -1.474080
  H      -5.014843     -4.344834     -0.845970
  H      -4.400307     -4.806848      1.520555
  H      -4.806928     -3.116920      3.277113
  H      -4.348744      5.852802      6.000335
  H      -2.860635      6.419664      6.770599
  H      -2.400532      7.723352      4.563418
  H      -3.687964      8.311151      5.624013
  H      -4.244086      8.203437      3.091404
  H      -4.222302      6.460471      3.235585
  H      -7.597238      7.756648      6.976274
  H     -10.341242      7.242870      3.327480
  H      -9.955613      6.899961      0.881842
  H      -7.640866      6.794555     -0.016618
  H      -5.695731      7.021278      1.494570
  H      -6.033677      1.972930      7.125484
  H      -6.106684      2.497432      5.419939
  H      -6.560631      4.271761      7.873151
  H      -6.368681      4.889051      6.222457
  H      -8.548319      2.892204      7.077195
  H      -8.769293      4.627288      6.993328
  H      -7.163694      3.844180      2.162960
  H     -11.681389      3.040640      1.776411
  H     -13.565625      2.829934      3.407923
  H     -13.128653      3.016744      5.849658
  H     -10.837598      3.409355      6.688680
  N      -3.914167      3.804819      3.027798
  N      -4.724773      3.985209      2.124036
  H      -4.229199      4.049212      1.193541
98
Coordinates from ORCA-job orca E -6258.309371730342
  N      -2.500772      1.618135      4.449584
  Mo     -3.335234      3.331130      4.813066
  N      -4.416850      3.119323      6.432417
  C      -3.755384      3.221701      7.739490
  C      -2.391562      2.532736      7.664865
  N      -1.642579      3.010979      6.468945
  C      -0.688979      2.006783      5.928079
  C      -1.475358      0.922092      5.209922
  C      -0.963002      4.314346      6.683939
  C      -1.141161      5.146126      5.401844
  N      -2.568583      5.140870      5.121291
  H      -0.816998      0.343868      4.539635
  H      -1.919529      0.210206      5.927757
  H      -0.058491      2.536379      5.200122
  H      -0.040500      1.599260      6.721256
  H      -0.753419      6.169482      5.529584
  H      -0.586808      4.684970      4.569518
  H      -1.450131      4.831387      7.521389
  H       0.096662      4.164983      6.946742
  H      -4.364612      2.729985      8.516290
  H      -3.644840      4.277732      8.043823
  H      -2.549151      1.451895      7.551609
  H      -1.801846      2.697929      8.583253
  C      -3.611841      0.890066      3.850648
  C      -4.076920     -0.386272      4.561595
  C      -5.558224     -0.719404      4.281004
  C      -5.919572     -0.625942      2.822812
  N      -6.497580      0.505954      2.434815
  C      -6.808105      0.633932      1.113297
  N      -6.581415     -0.238102      0.151032
  C      -5.980267     -1.408826      0.525354
  C      -5.707788     -2.389493     -0.460170
  C      -5.105106     -3.578462     -0.101263
  C      -4.756849     -3.835181      1.247149
  C      -5.012282     -2.898004      2.227857
  C      -5.625652     -1.664222      1.889984
  C      -3.321542      6.203811      5.798399
  C      -3.383853      7.494868      4.973225
  C      -4.381090      7.401015      3.822556
  C      -5.830825      7.421871      4.247032
  N      -6.101582      7.604385      5.532550
  C      -7.410537      7.650294      5.903354
  N      -8.468162      7.527616      5.131986
  C      -8.217723      7.330559      3.799389
  C      -9.309396      7.180537      2.911576
  C      -9.081835      6.968216      1.567875
  C      -7.763457      6.895855      1.062855
  C      -6.680256      7.043429      1.906797
  C      -6.882322      7.265739      3.291893
  C      -5.846848      2.820470      6.425925
  C      -6.708229      4.037211      6.786364
  C      -8.200011      3.819093      6.543258
  C      -8.600669      3.695192      5.092302
  N      -7.658057      3.811972      4.169979
  C      -8.031603      3.679757      2.865524
  N      -9.238592      3.447180      2.395418
  C     -10.237728      3.350989      3.325172
  C     -11.568017      3.135953      2.887897
  C     -12.593050      3.050158      3.808359
  C     -12.327418      3.169135      5.192496
  C     -11.037713      3.373223      5.645436
  C      -9.966103      3.470323      4.723875
  H      -3.397471      0.697547      2.782890
  H      -4.497367      1.585927      3.764410
  H      -3.959699     -0.275382      5.649377
  H      -3.437417     -1.224990      4.247544
  H      -5.777671     -1.721044      4.677014
  H      -6.193679     -0.000657      4.815116
  H      -7.305461      1.569425      0.837415
  H      -5.991613     -2.174396     -1.491632
  H      -4.898471     -4.334545     -0.860823
  H      -4.287861     -4.785283      1.508716
  H      -4.748624     -3.109887      3.265467
  H      -4.344069      5.858599      5.996993
  H      -2.858871      6.411556      6.780575
  H      -2.382211      7.733653      4.584327
  H      -3.673147      8.317096      5.643363
  H      -4.223958      8.226327      3.108215
  H      -4.197370      6.482610      3.241346
  H      -7.586553      7.807821      6.972646
  H     -10.317974      7.231672      3.323637
  H      -9.924504      6.841872      0.886133
  H      -7.607719      6.717228     -0.001831
  H      -5.667351      6.974691      1.511033
  H      -6.053413      1.984967      7.122765
  H      -6.117960      2.494356      5.411628
  H      -6.552641      4.299252      7.845903
  H      -6.369590      4.893786      6.185841
  H      -8.556897      2.927244      7.089288
  H      -8.763583      4.662023      6.978294
  H      -7.216101      3.786064      2.145311
  H     -11.749678      3.048097      1.816156
  H     -13.618982      2.889930      3.469910
  H     -13.152069      3.100148      5.904169
  H     -10.845366      3.466300      6.714564
  N      -3.964824      3.820101      3.046065
  N      -4.774571      4.000707      2.141284
  H      -4.282701      4.078600      1.210509
98
Coordinates from ORCA-job orca E -6258.310154157391
  N      -2.505213      1.620040      4.424992
  Mo     -3.337450      3.333899      4.806239
  N      -4.426016      3.112598      6.420340
  C      -3.768326      3.213998      7.730722
  C      -2.404738      2.523646      7.656452
  N      -1.654866      3.002742      6.459234
  C      -0.702085      1.994882      5.921465
  C      -1.489868      0.916026      5.195848
  C      -0.966605      4.301883      6.683088
  C      -1.134816      5.141417      5.404188
  N      -2.560935      5.143377      5.116471
  H      -0.830185      0.335148      4.529347
  H      -1.944518      0.206520      5.908412
  H      -0.064458      2.522869      5.198470
  H      -0.061234      1.583072      6.718413
  H      -0.743081      6.162321      5.539160
  H      -0.577868      4.682343      4.572099
  H      -1.454281      4.818235      7.520638
  H       0.090460      4.142992      6.950501
  H      -4.379588      2.720575      8.504852
  H      -3.658564      4.269571      8.036401
  H      -2.563964      1.443200      7.542165
  H      -1.814082      2.687704      8.574161
  C      -3.629330      0.892909      3.845727
  C      -4.085266     -0.384385      4.559631
  C      -5.560339     -0.735270      4.269753
  C      -5.915204     -0.647716      2.809684
  N      -6.518789      0.470196      2.421576
  C      -6.827102      0.592182      1.099076
  N      -6.574062     -0.271618      0.136079
  C      -5.944958     -1.427257      0.510721
  C      -5.642400     -2.398308     -0.475377
  C      -5.011951     -3.572467     -0.115876
  C      -4.665454     -3.823677      1.233927
  C      -4.949784     -2.895683      2.215312
  C      -5.591356     -1.676631      1.876595
  C      -3.312570      6.204004      5.799556
  C      -3.367926      7.502116      4.984488
  C      -4.363113      7.417143      3.831508
  C      -5.813436      7.432836      4.254419
  N      -6.086818      7.632634      5.536946
  C      -7.395937      7.680855      5.905006
  N      -8.451492      7.546026      5.133209
  C      -8.198916      7.327256      3.804563
  C      -9.288780      7.161208      2.917291
  C      -9.058999      6.926292      1.577804
  C      -7.739988      6.845992      1.076965
  C      -6.658848      7.010155      1.920023
  C      -6.862982      7.256553      3.300634
  C      -5.858536      2.823483      6.412041
  C      -6.709670      4.051868      6.758631
  C      -8.205485      3.842967      6.532132
  C      -8.623374      3.701274      5.087608
  N      -7.689688      3.790544      4.153294
  C      -8.080193      3.645772      2.854966
  N      -9.295831      3.426466      2.401147
  C     -10.285648      3.358845      3.343323
  C     -11.624249      3.159961      2.923545
  C     -12.640014      3.103190      3.856424
  C     -12.356379      3.235016      5.235999
  C     -11.058292      3.423480      5.672136
  C      -9.996084      3.491806      4.737399
  H      -3.431877      0.699844      2.774802
  H      -4.517325      1.588674      3.768610
  H      -3.978459     -0.267919      5.647974
  H      -3.433654     -1.217098      4.254441
  H      -5.769922     -1.739319      4.665375
  H      -6.208145     -0.023965      4.799070
  H      -7.347317      1.514862      0.823415
  H      -5.926057     -2.187987     -1.507795
  H      -4.781960     -4.321251     -0.875915
  H      -4.174588     -4.762466      1.496030
  H      -4.687566     -3.103992      3.253958
  H      -4.337641      5.861508      5.990756
  H      -2.855567      6.402260      6.786270
  H      -2.365024      7.741140      4.599124
  H      -3.657101      8.320336      5.659375
  H      -4.207352      8.248187      3.123471
  H      -4.176536      6.503612      3.243943
  H      -7.574114      7.852948      6.971680
  H     -10.297818      7.218708      3.326475
  H      -9.899982      6.787150      0.896763
  H      -7.582681      6.647590      0.015967
  H      -5.645177      6.935036      1.527352
  H      -6.074018      1.997621      7.117491
  H      -6.128958      2.489628      5.400385
  H      -6.543237      4.328070      7.813090
  H      -6.369525      4.897479      6.143314
  H      -8.564486      2.963934      7.097310
  H      -8.756623      4.697909      6.959465
  H      -7.271846      3.730649      2.124674
  H     -11.819971      3.061086      1.854996
  H     -13.672401      2.955919      3.531407
  H     -13.173980      3.188353      5.957402
  H     -10.851762      3.526236      6.737949
  N      -4.016213      3.829766      3.065241
  N      -4.825459      4.006947      2.159225
  H      -4.338912      4.108081      1.229006
98
Coordinates from ORCA-job orca E -6258.310939129968
  N      -2.512011      1.620241      4.399965
  Mo     -3.340132      3.337193      4.799939
  N      -4.435698      3.109016      6.408999
  C      -3.780385      3.209229      7.722141
  C      -2.418295      2.515674      7.647908
  N      -1.668529      2.993882      6.447655
  C      -0.717636      1.980340      5.915071
  C      -1.508254      0.907545      5.182975
  C      -0.969433      4.288052      6.680275
  C      -1.128612      5.136741      5.405592
  N      -2.553890      5.145857      5.112960
  H      -0.847596      0.322636      4.521150
  H      -1.974839      0.201825      5.890278
  H      -0.071623      2.504322      5.196665
  H      -0.085888      1.564753      6.717015
  H      -0.732634      6.154864      5.548715
  H      -0.570496      4.680498      4.572466
  H      -1.455707      4.803360      7.519226
  H       0.085117      4.118134      6.950069
  H      -4.393939      2.715689      8.494372
  H      -3.669399      4.264487      8.027714
  H      -2.580792      1.435760      7.533900
  H      -1.825239      2.678776      8.563841
  C      -3.651519      0.894802      3.843075
  C      -4.099496     -0.382138      4.560747
  C      -5.567706     -0.749771      4.258997
  C      -5.914912     -0.665437      2.796947
  N      -6.544808      0.438052      2.410790
  C      -6.850330      0.556215      1.087531
  N      -6.569455     -0.296114      0.122288
  C      -5.911276     -1.435701      0.495143
  C      -5.576893     -2.393595     -0.493216
  C      -4.917764     -3.552127     -0.135287
  C      -4.573879     -3.800584      1.215489
  C      -4.888768     -2.885286      2.199232
  C      -5.559371     -1.681701      1.861817
  C      -3.302865      6.205451      5.801926
  C      -3.349268      7.510618      4.996494
  C      -4.341217      7.434800      3.840337
  C      -5.792646      7.447467      4.259510
  N      -6.070890      7.671330      5.537252
  C      -7.380838      7.723294      5.900069
  N      -8.432839      7.571009      5.127196
  C      -8.175817      7.323325      3.804598
  C      -9.262144      7.134652      2.917569
  C      -9.027574      6.870373      1.584397
  C      -7.706960      6.781847      1.090224
  C      -6.629691      6.968386      1.932720
  C      -6.838451      7.245546      3.306718
  C      -5.870205      2.828352      6.399516
  C      -6.712279      4.067373      6.731960
  C      -8.211700      3.865828      6.522662
  C      -8.647180      3.705265      5.085192
  N      -7.723512      3.769428      4.138800
  C      -8.131121      3.611485      2.847207
  N      -9.354646      3.402535      2.410152
  C     -10.334142      3.361050      3.364765
  C     -11.680359      3.175143      2.963122
  C     -12.685718      3.145522      3.908371
  C     -12.383755      3.291382      5.282781
  C     -11.078008      3.467116      5.701579
  C     -10.026357      3.508535      4.753687
  H      -3.472720      0.699748      2.769187
  H      -4.539777      1.591956      3.775418
  H      -4.005629     -0.259187      5.649673
  H      -3.435388     -1.208937      4.266513
  H      -5.768348     -1.756592      4.652617
  H      -6.228088     -0.046426      4.783594
  H      -7.394526      1.465040      0.813771
  H      -5.859911     -2.186032     -1.526224
  H      -4.663117     -4.290884     -0.897167
  H      -4.060464     -4.727469      1.476525
  H      -4.628725     -3.092385      3.238571
  H      -4.331003      5.867243      5.985366
  H      -2.851592      6.394290      6.792987
  H      -2.344777      7.748916      4.615008
  H      -3.638136      8.325156      5.675667
  H      -4.184856      8.270673      3.138005
  H      -4.152036      6.525226      3.248062
  H      -7.563391      7.915880      6.962485
  H     -10.272282      7.199117      3.322037
  H      -9.865435      6.713829      0.903812
  H      -7.545941      6.558698      0.034555
  H      -5.614406      6.886510      1.544982
  H      -6.093693      2.011801      7.113213
  H      -6.139827      2.486930      5.390554
  H      -6.534710      4.358103      7.780858
  H      -6.371822      4.901900      6.101666
  H      -8.570751      2.999833      7.107486
  H      -8.751274      4.732048      6.941853
  H      -7.330848      3.677656      2.106840
  H     -11.890523      3.064536      1.898142
  H     -13.724027      3.008918      3.597197
  H     -13.193433      3.265709      6.013853
  H     -10.856918      3.580428      6.763697
  N      -4.068216      3.838255      3.085223
  N      -4.877583      4.013296      2.179374
  H      -4.398336      4.122221      1.246993
98
Coordinates from ORCA-job orca E -6258.312278706631
  N      -2.532155      1.621228      4.386257
  Mo     -3.340194      3.353140      4.799034
  N      -4.437641      3.123644      6.408752
  C      -3.775676      3.223500      7.719923
  C      -2.416317      2.524145      7.639093
  N      -1.673615      2.995718      6.427802
  C      -0.729867      1.967980      5.900900
  C      -1.530127      0.900546      5.167735
  C      -0.955301      4.283108      6.665939
  C      -1.113287      5.146013      5.401329
  N      -2.540747      5.159704      5.113825
  H      -0.874705      0.314834      4.501390
  H      -1.998554      0.195950      5.872931
  H      -0.073645      2.480714      5.184526
  H      -0.109297      1.548878      6.709280
  H      -0.714939      6.161179      5.557732
  H      -0.558956      4.699727      4.560179
  H      -1.432151      4.795517      7.512003
  H       0.097823      4.096156      6.929016
  H      -4.388245      2.732280      8.494238
  H      -3.658439      4.278602      8.022757
  H      -2.585430      1.444931      7.529954
  H      -1.812608      2.688182      8.547182
  C      -3.691489      0.902271      3.853891
  C      -4.149346     -0.365958      4.578311
  C      -5.615132     -0.730858      4.262662
  C      -5.956770     -0.648435      2.799049
  N      -6.595573      0.449991      2.412239
  C      -6.903230      0.563724      1.089473
  N      -6.613498     -0.285515      0.124490
  C      -5.943383     -1.418028      0.497346
  C      -5.598274     -2.371975     -0.490626
  C      -4.928835     -3.524406     -0.132577
  C      -4.585346     -3.770829      1.218372
  C      -4.910379     -2.859248      2.201896
  C      -5.590589     -1.661227      1.864090
  C      -3.288317      6.215427      5.810695
  C      -3.325755      7.536793      5.029373
  C      -4.302685      7.487905      3.858565
  C      -5.760207      7.488246      4.257283
  N      -6.058472      7.704783      5.531679
  C      -7.373927      7.735504      5.877159
  N      -8.413032      7.558075      5.092328
  C      -8.135648      7.315877      3.774241
  C      -9.206586      7.095859      2.876645
  C      -8.951007      6.844302      1.545053
  C      -7.623997      6.805681      1.062555
  C      -6.562291      7.020880      1.916379
  C      -6.791150      7.275685      3.290717
  C      -5.871253      2.836366      6.405199
  C      -6.718997      4.075957      6.723961
  C      -8.218080      3.861363      6.525803
  C      -8.655921      3.682125      5.091639
  N      -7.736910      3.766833      4.142041
  C      -8.143898      3.603317      2.852481
  N      -9.363456      3.367329      2.419083
  C     -10.338736      3.300014      3.377265
  C     -11.681033      3.081801      2.981186
  C     -12.681960      3.030650      3.929980
  C     -12.379829      3.186948      5.302728
  C     -11.077880      3.393041      5.716505
  C     -10.030806      3.455538      4.765080
  H      -3.533819      0.699578      2.778404
  H      -4.569622      1.609133      3.795127
  H      -4.069492     -0.233891      5.667424
  H      -3.483220     -1.196038      4.298528
  H      -5.820218     -1.736643      4.656509
  H      -6.278547     -0.025003      4.780619
  H      -7.459039      1.465690      0.815612
  H      -5.882043     -2.166535     -1.523482
  H      -4.665982     -4.260123     -0.894236
  H      -4.064303     -4.693257      1.479981
  H      -4.651370     -3.065419      3.241396
  H      -4.320654      5.881093      5.978146
  H      -2.846642      6.387251      6.809123
  H      -2.318263      7.784881      4.663283
  H      -3.623678      8.334999      5.723863
  H      -4.136263      8.341026      3.179061
  H      -4.103641      6.591975      3.248599
  H      -7.574341      7.926675      6.936390
  H     -10.221941      7.129148      3.271590
  H      -9.776319      6.666291      0.855338
  H      -7.446033      6.599766      0.006348
  H      -5.543304      6.984456      1.535433
  H      -6.092773      2.027016      7.127358
  H      -6.140236      2.482641      5.400374
  H      -6.535614      4.382053      7.767378
  H      -6.386841      4.903044      6.079916
  H      -8.566643      3.001268      7.124567
  H      -8.762334      4.729431      6.936269
  H      -7.348123      3.694844      2.109130
  H     -11.892265      2.964983      1.917291
  H     -13.717321      2.869418      3.622688
  H     -13.185969      3.145355      6.036357
  H     -10.855949      3.514607      6.777446
  N      -4.096483      3.853293      3.113721
  N      -4.876123      4.034710      2.184678
  H      -4.381625      4.109415      1.257387
98
Coordinates from ORCA-job orca E -6258.313617066170
  N      -2.507550      1.604094      4.402156
  Mo     -3.319707      3.340406      4.795709
  N      -4.442833      3.131989      6.385640
  C      -3.793594      3.236014      7.703608
  C      -2.433811      2.536217      7.652799
  N      -1.674318      2.997548      6.449808
  C      -0.728450      1.965161      5.950087
  C      -1.526879      0.892669      5.223919
  C      -0.959054      4.287140      6.688147
  C      -1.102508      5.135979      5.413525
  N      -2.527957      5.148077      5.110198
  H      -0.861100      0.289496      4.584338
  H      -2.019559      0.205899      5.928741
  H      -0.060772      2.464203      5.235185
  H      -0.118917      1.552546      6.769672
  H      -0.703159      6.151432      5.564775
  H      -0.543023      4.678354      4.581830
  H      -1.446793      4.804741      7.524665
  H       0.091539      4.107202      6.963580
  H      -4.420591      2.752881      8.470178
  H      -3.675931      4.293208      7.998027
  H      -2.605167      1.456602      7.550723
  H      -1.844408      2.705664      8.568589
  C      -3.660000      0.873995      3.858273
  C      -4.114983     -0.396051      4.578322
  C      -5.581598     -0.753855      4.256120
  C      -5.928589     -0.653784      2.793018
  N      -6.568776      0.450150      2.421738
  C      -6.883407      0.577760      1.103156
  N      -6.597049     -0.259296      0.127547
  C      -5.922596     -1.394483      0.482537
  C      -5.578797     -2.335117     -0.518215
  C      -4.905917     -3.490579     -0.178793
  C      -4.558468     -3.754018      1.166944
  C      -4.881941     -2.856157      2.163103
  C      -5.564622     -1.654726      1.844188
  C      -3.281179      6.211812      5.794432
  C      -3.315489      7.521697      4.994528
  C      -4.301693      7.461337      3.832201
  C      -5.754826      7.483569      4.243457
  N      -6.038439      7.720857      5.517931
  C      -7.351629      7.757396      5.876261
  N      -8.400334      7.562230      5.106036
  C      -8.138127      7.303101      3.787631
  C      -9.219027      7.063231      2.905737
  C      -8.977021      6.791021      1.575223
  C      -7.653284      6.752101      1.077451
  C      -6.582601      6.988357      1.915613
  C      -6.797285      7.262252      3.289147
  C      -5.879240      2.853224      6.374984
  C      -6.725028      4.090464      6.705693
  C      -8.224305      3.876427      6.510473
  C      -8.673067      3.714011      5.078846
  N      -7.763571      3.799403      4.119263
  C      -8.184524      3.639507      2.834509
  N      -9.408198      3.401243      2.415034
  C     -10.373789      3.335167      3.383863
  C     -11.719729      3.112448      3.004569
  C     -12.709911      3.065712      3.964598
  C     -12.394162      3.228898      5.333219
  C     -11.088553      3.435593      5.730992
  C     -10.051517      3.493168      4.767423
  H      -3.485200      0.667415      2.786169
  H      -4.531151      1.583226      3.792416
  H      -4.039432     -0.266389      5.668855
  H      -3.448686     -1.226047      4.298005
  H      -5.791322     -1.762720      4.640202
  H      -6.242584     -0.050094      4.780851
  H      -7.444956      1.480346      0.843104
  H      -5.866377     -2.116824     -1.546984
  H      -4.644229     -4.215680     -0.950784
  H      -4.034984     -4.678727      1.414838
  H      -4.619970     -3.076015      3.198597
  H      -4.314205      5.878927      5.962423
  H      -2.843665      6.401353      6.791375
  H      -2.310604      7.758306      4.612664
  H      -3.601029      8.330832      5.681624
  H      -4.130672      8.300682      3.136152
  H      -4.117020      6.551061      3.238853
  H      -7.542542      7.967405      6.934019
  H     -10.230617      7.096791      3.312218
  H      -9.809913      6.598225      0.897961
  H      -7.484708      6.530429      0.022085
  H      -5.565710      6.954912      1.521520
  H      -6.102018      2.036048      7.088134
  H      -6.149830      2.511506      5.366739
  H      -6.542766      4.386461      7.750760
  H      -6.389089      4.921441      6.070937
  H      -8.566237      3.008180      7.099288
  H      -8.767881      4.737050      6.936920
  H      -7.398681      3.732340      2.079830
  H     -11.941744      2.990145      1.943125
  H     -13.748451      2.902835      3.669572
  H     -13.192083      3.191735      6.076025
  H     -10.854788      3.560373      6.789153
  N      -4.100679      3.817155      3.122965
  N      -4.895408      3.965545      2.201134
  H      -4.427733      3.994795      1.259948
98
Coordinates from ORCA-job orca E -6258.315101933218
  N      -2.516352      1.606929      4.400931
  Mo     -3.323044      3.346588      4.802725
  N      -4.451163      3.134624      6.386775
  C      -3.799392      3.234447      7.706062
  C      -2.439826      2.533168      7.653811
  N      -1.680889      2.998436      6.450463
  C      -0.733679      1.965788      5.951745
  C      -1.530837      0.895498      5.220155
  C      -0.962157      4.286533      6.697755
  C      -1.103895      5.141817      5.428174
  N      -2.529997      5.155465      5.123180
  H      -0.864099      0.298388      4.576074
  H      -2.021258      0.203767      5.920626
  H      -0.061895      2.465561      5.241374
  H      -0.129182      1.550729      6.773431
  H      -0.703864      6.156018      5.585677
  H      -0.544198      4.687699      4.594581
  H      -1.449917      4.799514      7.537056
  H       0.087378      4.102896      6.972895
  H      -4.427632      2.750769      8.470489
  H      -3.679430      4.290865      8.001755
  H      -2.613504      1.454326      7.547804
  H      -1.848478      2.698650      8.568765
  C      -3.671997      0.878242      3.858498
  C      -4.125806     -0.396134      4.569801
  C      -5.589071     -0.755606      4.233586
  C      -5.927137     -0.647718      2.768264
  N      -6.571443      0.454930      2.399728
  C      -6.879132      0.588418      1.080759
  N      -6.580828     -0.240049      0.101782
  C      -5.900345     -1.372878      0.453295
  C      -5.542276     -2.304062     -0.551235
  C      -4.863205     -3.456922     -0.215511
  C      -4.524037     -3.727647      1.130379
  C      -4.861669     -2.839242      2.130184
  C      -5.550224     -1.640206      1.815072
  C      -3.282876      6.221676      5.805550
  C      -3.308219      7.528762      5.001990
  C      -4.282532      7.456700      3.830778
  C      -5.737886      7.473069      4.232619
  N      -6.029728      7.740131      5.499321
  C      -7.345459      7.779902      5.848876
  N      -8.389645      7.564100      5.076309
  C      -8.118413      7.271005      3.766481
  C      -9.193765      7.006547      2.883735
  C      -8.942320      6.695491      1.563132
  C      -7.613429      6.637569      1.076539
  C      -6.547700      6.898200      1.915238
  C      -6.773220      7.218089      3.278129
  C      -5.890335      2.863029      6.382113
  C      -6.728814      4.107608      6.703494
  C      -8.229789      3.900091      6.517046
  C      -8.689564      3.722597      5.091060
  N      -7.786575      3.781118      4.123592
  C      -8.219438      3.603786      2.845552
  N      -9.449017      3.372792      2.439377
  C     -10.407403      3.336017      3.415840
  C     -11.758589      3.122079      3.051032
  C     -12.741114      3.102795      4.018973
  C     -12.412538      3.284505      5.382008
  C     -11.101953      3.482673      5.765877
  C     -10.072431      3.513111      4.793641
  H      -3.500339      0.675572      2.784886
  H      -4.540986      1.590699      3.799769
  H      -4.059458     -0.271754      5.662020
  H      -3.453956     -1.222264      4.290582
  H      -5.799921     -1.767478      4.609701
  H      -6.255687     -0.056350      4.757516
  H      -7.446232      1.488453      0.823406
  H      -5.824041     -2.080666     -1.580154
  H      -4.590389     -4.174534     -0.990574
  H      -3.995584     -4.650289      1.375490
  H      -4.606441     -3.064940      3.165659
  H      -4.318460      5.893184      5.968826
  H      -2.850442      6.411915      6.804676
  H      -2.300023      7.764668      4.627643
  H      -3.601742      8.340674      5.682452
  H      -4.111289      8.292271      3.130038
  H      -4.087169      6.543259      3.245772
  H      -7.543794      8.014504      6.900218
  H     -10.208750      7.051871      3.282202
  H      -9.770963      6.482832      0.885772
  H      -7.436695      6.380124      0.030040
  H      -5.525683      6.844353      1.530581
  H      -6.114176      2.052602      7.102384
  H      -6.166047      2.515860      5.377237
  H      -6.542164      4.412679      7.744937
  H      -6.389329      4.930309      6.060327
  H      -8.572980      3.041524      7.118641
  H      -8.765370      4.768878      6.936861
  H      -7.439214      3.673906      2.083107
  H     -11.990668      2.984027      1.993852
  H     -13.783801      2.946956      3.734783
  H     -13.204598      3.267982      6.131324
  H     -10.857710      3.620581      6.819844
  N      -4.133104      3.828061      3.149087
  N      -4.929501      3.972102      2.227242
  H      -4.470843      3.993997      1.282289
98
Coordinates from ORCA-job orca E -6258.317287582718
  N      -2.518974      1.560605      4.418367
  Mo     -3.330180      3.309359      4.797833
  N      -4.472339      3.121967      6.368671
  C      -3.824830      3.242052      7.694476
  C      -2.458388      2.546696      7.664949
  N      -1.696504      2.994115      6.453775
  C      -0.742568      1.953328      5.984155
  C      -1.535653      0.869681      5.267787
  C      -0.977621      4.288001      6.686629
  C      -1.118114      5.124478      5.404494
  N      -2.544824      5.132932      5.093069
  H      -0.863764      0.259969      4.642015
  H      -2.035681      0.194317      5.975086
  H      -0.064190      2.438912      5.270337
  H      -0.145929      1.552802      6.818107
  H      -0.717419      6.140252      5.549569
  H      -0.557473      4.655315      4.579623
  H      -1.466836      4.811263      7.518305
  H       0.071934      4.111399      6.962871
  H      -4.460218      2.767514      8.457698
  H      -3.710110      4.303855      7.973593
  H      -2.631256      1.465829      7.577922
  H      -1.871437      2.730004      8.578349
  C      -3.673691      0.818749      3.885267
  C      -4.128057     -0.459283      4.585459
  C      -5.580763     -0.820311      4.204043
  C      -5.889134     -0.683563      2.733613
  N      -6.542652      0.417397      2.376906
  C      -6.830892      0.573307      1.057622
  N      -6.499602     -0.225826      0.065881
  C      -5.800737     -1.351573      0.403180
  C      -5.399852     -2.248125     -0.616173
  C      -4.699918     -3.392066     -0.296138
  C      -4.384040     -3.690117      1.049023
  C      -4.765705     -2.836812      2.063497
  C      -5.474265     -1.646195      1.764629
  C      -3.296347      6.205666      5.770775
  C      -3.305382      7.510925      4.966566
  C      -4.287004      7.438125      3.802864
  C      -5.734902      7.465183      4.223247
  N      -6.007383      7.776315      5.484408
  C      -7.319482      7.825816      5.851347
  N      -8.375983      7.577126      5.103528
  C      -8.122947      7.237717      3.800187
  C      -9.210335      6.937892      2.943434
  C      -8.976112      6.574957      1.632131
  C      -7.651015      6.498935      1.128989
  C      -6.573246      6.798290      1.940560
  C      -6.783023      7.174762      3.292428
  C      -5.918813      2.878568      6.380055
  C      -6.728775      4.145342      6.687635
  C      -8.233828      3.967893      6.513006
  C      -8.715534      3.788816      5.094598
  N      -7.825423      3.806874      4.113157
  C      -8.280412      3.615138      2.846386
  N      -9.519669      3.396523      2.462241
  C     -10.464151      3.409413      3.450300
  C     -11.824916      3.215958      3.109140
  C     -12.794098      3.247955      4.088363
  C     -12.443077      3.457796      5.442076
  C     -11.123504      3.632156      5.803880
  C     -10.106411      3.612641      4.818734
  H      -3.498964      0.608714      2.813481
  H      -4.535481      1.541904      3.838921
  H      -4.093846     -0.342765      5.680318
  H      -3.443687     -1.278591      4.316620
  H      -5.798032     -1.841563      4.551741
  H      -6.262776     -0.133605      4.725002
  H      -7.412488      1.466059      0.810193
  H      -5.665116     -2.005048     -1.644748
  H      -4.393158     -4.082036     -1.083583
  H      -3.838277     -4.605080      1.282463
  H      -4.528822     -3.083893      3.098108
  H      -4.335855      5.885450      5.928047
  H      -2.870385      6.398630      6.772160
  H      -2.297889      7.731561      4.579902
  H      -3.583422      8.328509      5.645537
  H      -4.115782      8.264647      3.091520
  H      -4.103944      6.516557      3.228591
  H      -7.505281      8.101893      6.895223
  H     -10.221132      6.997371      3.354973
  H      -9.814080      6.331646      0.976629
  H      -7.484774      6.195580      0.091828
  H      -5.550810      6.730898      1.542540
  H      -6.148664      2.083239      7.115143
  H      -6.210034      2.525218      5.382767
  H      -6.534797      4.458850      7.724732
  H      -6.371828      4.952264      6.035077
  H      -8.587556      3.121975      7.124695
  H      -8.745489      4.849218      6.933154
  H      -7.512658      3.657046      2.071767
  H     -12.074224      3.053478      2.059151
  H     -13.844720      3.111010      3.821647
  H     -13.225562      3.480308      6.200544
  H     -10.860375      3.786937      6.850987
  N      -4.196331      3.760071      3.162662
  N      -4.985833      3.856998      2.224609
  H      -4.539254      3.828152      1.276717
98
Coordinates from ORCA-job orca E -6258.319275700263
  N      -2.526912      1.522876      4.438680
  Mo     -3.343660      3.275337      4.808159
  N      -4.497087      3.100732      6.366980
  C      -3.853025      3.226961      7.699555
  C      -2.480670      2.538929      7.682056
  N      -1.716283      2.983078      6.470119
  C      -0.752395      1.942383      6.013505
  C      -1.535108      0.850019      5.298389
  C      -1.002681      4.282869      6.699796
  C      -1.141390      5.108074      5.410968
  N      -2.567992      5.111970      5.087552
  H      -0.857105      0.242079      4.677243
  H      -2.034471      0.175854      6.007330
  H      -0.070320      2.427930      5.302035
  H      -0.161469      1.548793      6.854479
  H      -0.742568      6.125522      5.549848
  H      -0.575583      4.630044      4.594559
  H      -1.496353      4.808677      7.527292
  H       0.046580      4.112871      6.978858
  H      -4.493437      2.752256      8.456821
  H      -3.744234      4.289930      7.976355
  H      -2.650013      1.456999      7.599587
  H      -1.896839      2.729840      8.595573
  C      -3.676049      0.768674      3.907193
  C      -4.121771     -0.519436      4.590107
  C      -5.563127     -0.889863      4.169240
  C      -5.849375     -0.717610      2.697025
  N      -6.520384      0.378226      2.357618
  C      -6.792612      0.562612      1.039331
  N      -6.427765     -0.201911      0.031968
  C      -5.706807     -1.319587      0.350531
  C      -5.264980     -2.176937     -0.685782
  C      -4.540252     -3.310425     -0.385273
  C      -4.240674     -3.638557      0.956187
  C      -4.664119     -2.824375      1.986487
  C      -5.397304     -1.644626      1.708395
  C      -3.324966      6.194561      5.743553
  C      -3.313457      7.486674      4.922404
  C      -4.289519      7.394658      3.754314
  C      -5.734961      7.425505      4.181422
  N      -5.995953      7.767698      5.436849
  C      -7.305867      7.831785      5.812332
  N      -8.372294      7.573661      5.077376
  C      -8.129958      7.204458      3.779224
  C      -9.228226      6.905198      2.933448
  C      -9.006550      6.512618      1.628447
  C      -7.681321      6.399369      1.121304
  C      -6.590586      6.698499      1.921315
  C      -6.790953      7.116783      3.264043
  C      -5.952663      2.897067      6.397238
  C      -6.723843      4.188310      6.696203
  C      -8.232923      4.047100      6.536765
  C      -8.737933      3.853080      5.128728
  N      -7.862388      3.813216      4.135890
  C      -8.341127      3.592045      2.883400
  N      -9.590383      3.385441      2.523753
  C     -10.518039      3.462805      3.520632
  C     -11.887440      3.290113      3.204590
  C     -12.840957      3.386290      4.192805
  C     -12.465636      3.639362      5.533285
  C     -11.137953      3.792475      5.871287
  C     -10.135684      3.709122      4.875481
  H      -3.499226      0.562579      2.834083
  H      -4.535577      1.499035      3.879367
  H      -4.113791     -0.417814      5.687407
  H      -3.421036     -1.326482      4.324641
  H      -5.775805     -1.923881      4.481951
  H      -6.262880     -0.225490      4.695625
  H      -7.390977      1.448419      0.805389
  H      -5.518425     -1.912595     -1.711601
  H      -4.201343     -3.969317     -1.186226
  H      -3.674523     -4.544464      1.174325
  H      -4.440774     -3.093882      3.017835
  H      -4.369341      5.882336      5.886833
  H      -2.914777      6.398386      6.749999
  H      -2.301152      7.690077      4.536553
  H      -3.588646      8.318107      5.585403
  H      -4.118432      8.208624      3.028899
  H      -4.105258      6.463109      3.196107
  H      -7.482525      8.136741      6.850044
  H     -10.238086      6.990919      3.348476
  H      -9.853981      6.266003      0.983088
  H      -7.522591      6.064991      0.091921
  H      -5.565952      6.598558      1.521142
  H      -6.190377      2.116605      7.144926
  H      -6.265786      2.543434      5.406891
  H      -6.518570      4.510371      7.728303
  H      -6.347785      4.976541      6.031983
  H      -8.601934      3.220911      7.166147
  H      -8.716131      4.947099      6.948780
  H      -7.586669      3.590967      2.097196
  H     -12.155260      3.091616      2.165583
  H     -13.898397      3.266814      3.944884
  H     -13.236703      3.710884      6.299522
  H     -10.855190      3.976899      6.908246
  N      -4.253986      3.704969      3.194651
  N      -5.019344      3.767121      2.233117
  H      -4.563736      3.662318      1.297294
98
Coordinates from ORCA-job orca E -6258.321289013635
  N      -2.547216      1.495622      4.461573
  Mo     -3.355930      3.257559      4.823831
  N      -4.518711      3.097784      6.372508
  C      -3.872547      3.225049      7.708105
  C      -2.499845      2.536028      7.696396
  N      -1.731049      2.975584      6.486022
  C      -0.764734      1.932013      6.035059
  C      -1.542020      0.837056      5.319140
  C      -1.016775      4.276952      6.714831
  C      -1.151583      5.094004      5.423168
  N      -2.579033      5.099887      5.090932
  H      -0.862081      0.234087      4.695065
  H      -2.034521      0.159971      6.030106
  H      -0.078199      2.417120      5.327234
  H      -0.179262      1.538197      6.879612
  H      -0.750539      6.111228      5.557247
  H      -0.583951      4.607670      4.613146
  H      -1.511776      4.804984      7.540220
  H       0.031696      4.107171      6.995936
  H      -4.516348      2.752258      8.462360
  H      -3.763336      4.288297      7.983042
  H      -2.671043      1.454228      7.615682
  H      -1.916950      2.728718      8.610202
  C      -3.692725      0.735351      3.928084
  C      -4.133473     -0.560295      4.597411
  C      -5.565457     -0.937738      4.145101
  C      -5.835151     -0.729313      2.673334
  N      -6.519580      0.364066      2.353147
  C      -6.773717      0.582418      1.036847
  N      -6.378759     -0.146220      0.013776
  C      -5.644108     -1.260944      0.312296
  C      -5.168413     -2.079615     -0.740428
  C      -4.428156     -3.208554     -0.460191
  C      -4.146656     -3.571000      0.875831
  C      -4.603518     -2.794799      1.921408
  C      -5.352592     -1.620532      1.665285
  C      -3.335231      6.195906      5.724281
  C      -3.303176      7.469732      4.877861
  C      -4.272354      7.355371      3.704995
  C      -5.717992      7.389566      4.131659
  N      -5.975473      7.754988      5.381167
  C      -7.284382      7.825520      5.759326
  N      -8.355221      7.556038      5.031063
  C      -8.115608      7.165980      3.737784
  C      -9.217915      6.861418      2.897321
  C      -9.000097      6.446306      1.598045
  C      -7.673853      6.309625      1.092318
  C      -6.577269      6.611781      1.887186
  C      -6.775715      7.062497      3.221915
  C      -5.980886      2.922536      6.420464
  C      -6.728567      4.228607      6.711290
  C      -8.240190      4.104750      6.564701
  C      -8.761422      3.891966      5.165719
  N      -7.896483      3.817268      4.165715
  C      -8.390827      3.570552      2.924627
  N      -9.646003      3.364019      2.583865
  C     -10.561642      3.479610      3.586372
  C     -11.935378      3.311789      3.289457
  C     -12.877260      3.446903      4.283326
  C     -12.486014      3.735101      5.611970
  C     -11.154238      3.883635      5.931765
  C     -10.162861      3.760302      4.929437
  H      -3.516797      0.535889      2.853023
  H      -4.547058      1.472548      3.918107
  H      -4.146624     -0.467959      5.695790
  H      -3.420337     -1.358900      4.338480
  H      -5.772656     -1.982484      4.425275
  H      -6.279371     -0.295061      4.679204
  H      -7.383013      1.465383      0.818136
  H      -5.408258     -1.790117     -1.762448
  H      -4.062930     -3.837328     -1.273862
  H      -3.567867     -4.472749      1.077691
  H      -4.394785     -3.090245      2.948269
  H      -4.383631      5.893946      5.858713
  H      -2.936325      6.413322      6.732673
  H      -2.286092      7.655437      4.494378
  H      -3.576612      8.317633      5.520953
  H      -4.099967      8.156441      2.965858
  H      -4.084357      6.413860      3.163338
  H      -7.457205      8.150145      6.791750
  H     -10.227741      6.961403      3.311683
  H      -9.851435      6.192876      0.958191
  H      -7.517181      5.951772      0.069846
  H      -5.550938      6.485686      1.490511
  H      -6.219914      2.152074      7.177183
  H      -6.311580      2.567425      5.435725
  H      -6.514660      4.562301      7.737972
  H      -6.344074      5.001935      6.034643
  H      -8.614539      3.292179      7.209069
  H      -8.708298      5.016656      6.968629
  H      -7.646392      3.542599      2.129198
  H     -12.215348      3.085715      2.260039
  H     -13.938037      3.331653      4.049665
  H     -13.248413      3.837079      6.383132
  H     -10.858745      4.093814      6.959607
  N      -4.311331      3.669282      3.239116
  N      -5.061629      3.708211      2.264404
  H      -4.606531      3.520133      1.342756
98
Coordinates from ORCA-job orca E -6258.324660056431
  N      -2.589688      1.522112      4.434293
  Mo     -3.390450      3.286728      4.845910
  N      -4.541757      3.077709      6.408122
  C      -3.876612      3.169667      7.739156
  C      -2.506670      2.484789      7.703431
  N      -1.740453      2.956423      6.507996
  C      -0.786429      1.922011      6.008674
  C      -1.570112      0.849978      5.258723
  C      -1.031734      4.253536      6.769024
  C      -1.169103      5.101547      5.498705
  N      -2.600402      5.116382      5.148576
  H      -0.891218      0.268479      4.612621
  H      -2.048904      0.145952      5.955311
  H      -0.103305      2.428964      5.314538
  H      -0.195168      1.495989      6.834078
  H      -0.772812      6.117297      5.653251
  H      -0.593957      4.637801      4.681740
  H      -1.529112      4.757321      7.608379
  H       0.017735      4.076273      7.047695
  H      -4.508659      2.672484      8.490081
  H      -3.772109      4.225725      8.040282
  H      -2.671379      1.404726      7.593416
  H      -1.924074      2.655660      8.622359
  C      -3.728079      0.745811      3.884080
  C      -4.145075     -0.560172      4.550961
  C      -5.574975     -0.965854      4.120660
  C      -5.860696     -0.771228      2.651631
  N      -6.565840      0.308956      2.330127
  C      -6.822677      0.520607      1.011896
  N      -6.417683     -0.205499     -0.009639
  C      -5.671260     -1.311394      0.292519
  C      -5.189580     -2.130452     -0.757145
  C      -4.437476     -3.251808     -0.471891
  C      -4.147719     -3.603945      0.865967
  C      -4.607817     -2.826136      1.908677
  C      -5.371132     -1.660495      1.647326
  C      -3.349363      6.222336      5.774555
  C      -3.258261      7.504507      4.934637
  C      -4.166275      7.454198      3.706102
  C      -5.644472      7.548265      4.005743
  N      -6.010930      7.887436      5.235891
  C      -7.343737      8.014266      5.482444
  N      -8.342037      7.836650      4.637781
  C      -7.991154      7.484234      3.361749
  C      -9.011059      7.286954      2.398387
  C      -8.681206      6.913838      1.110567
  C      -7.326592      6.711142      0.740670
  C      -6.310633      6.904044      1.658224
  C      -6.618669      7.312429      2.984634
  C      -6.002938      2.879615      6.485781
  C      -6.780581      4.158827      6.819903
  C      -8.294625      3.977467      6.729489
  C      -8.852046      3.741673      5.349625
  N      -8.010919      3.707767      4.326370
  C      -8.526153      3.442082      3.097995
  N      -9.780828      3.185913      2.791268
  C     -10.676151      3.252511      3.822444
  C     -12.049253      3.025677      3.563699
  C     -12.969203      3.110678      4.586742
  C     -12.555486      3.409940      5.904898
  C     -11.222712      3.619629      6.187160
  C     -10.254487      3.545960      5.155421
  H      -3.557630      0.570850      2.805486
  H      -4.599847      1.455212      3.888517
  H      -4.145175     -0.462477      5.648084
  H      -3.421785     -1.347832      4.289551
  H      -5.757521     -2.011282      4.410981
  H      -6.295252     -0.335414      4.660237
  H      -7.441618      1.396467      0.791229
  H      -5.434984     -1.848411     -1.780952
  H      -4.068288     -3.881835     -1.282527
  H      -3.559650     -4.500230      1.070684
  H      -4.391919     -3.113846      2.937546
  H      -4.404084      5.939768      5.881190
  H      -2.969298      6.417770      6.793455
  H      -2.220316      7.662904      4.602995
  H      -3.532566      8.353617      5.576226
  H      -3.909844      8.268033      3.006255
  H      -3.976279      6.522242      3.148316
  H      -7.605008      8.303496      6.505745
  H     -10.047151      7.432964      2.708867
  H      -9.469263      6.745390      0.374249
  H      -7.086854      6.388299     -0.275583
  H      -5.269591      6.723252      1.365969
  H      -6.204074      2.092499      7.235270
  H      -6.353747      2.526617      5.506175
  H      -6.538007      4.493370      7.840549
  H      -6.449851      4.949239      6.133429
  H      -8.613099      3.146425      7.382317
  H      -8.786855      4.870653      7.152230
  H      -7.799852      3.449116      2.281338
  H     -12.346889      2.794010      2.541066
  H     -14.028509      2.947020      4.382750
  H     -13.299515      3.473213      6.699522
  H     -10.910631      3.841944      7.207097
  N      -4.393803      3.720344      3.309075
  N      -5.169374      3.798707      2.362333
  H      -4.730500      3.642531      1.430261
98
Coordinates from ORCA-job orca E -6258.330821488293
  N      -2.585187      1.545717      4.403076
  Mo     -3.368436      3.319451      4.833337
  N      -4.526274      3.101143      6.393323
  C      -3.858483      3.169393      7.721463
  C      -2.495994      2.479173      7.679766
  N      -1.716779      2.960331      6.501385
  C      -0.777059      1.925502      5.974026
  C      -1.563425      0.867863      5.203357
  C      -1.009586      4.252639      6.771165
  C      -1.139222      5.113362      5.508094
  N      -2.570168      5.134834      5.145015
  H      -0.883393      0.294892      4.548635
  H      -2.035113      0.149276      5.894922
  H      -0.091535      2.443135      5.289689
  H      -0.186464      1.479340      6.790179
  H      -0.748090      6.129443      5.670194
  H      -0.556197      4.661084      4.691162
  H      -1.510264      4.749365      7.613522
  H       0.038288      4.066861      7.055523
  H      -4.489784      2.665606      8.470329
  H      -3.751179      4.220523      8.035468
  H      -2.658266      1.400661      7.552410
  H      -1.921308      2.636983      8.606976
  C      -3.714065      0.754162      3.845152
  C      -4.116457     -0.545584      4.533266
  C      -5.548738     -0.971507      4.135468
  C      -5.853180     -0.802307      2.669109
  N      -6.564766      0.270072      2.336424
  C      -6.824199      0.465753      1.014190
  N      -6.422204     -0.274982      0.000812
  C      -5.679752     -1.380017      0.317324
  C      -5.207521     -2.218920     -0.721473
  C      -4.459564     -3.340297     -0.420060
  C      -4.162079     -3.670998      0.922826
  C      -4.610806     -2.872245      1.954551
  C      -5.371925     -1.707585      1.676369
  C      -3.310934      6.247058      5.767028
  C      -3.282474      7.522610      4.908267
  C      -4.241896      7.441589      3.720490
  C      -5.709552      7.481717      4.094586
  N      -6.023148      7.790679      5.347233
  C      -7.340700      7.851641      5.671886
  N      -8.373591      7.637517      4.883469
  C      -8.080050      7.312365      3.587216
  C      -9.143023      7.069594      2.682952
  C      -8.872123      6.725710      1.374901
  C      -7.538420      6.599784      0.924328
  C      -6.483499      6.832659      1.783400
  C      -6.728924      7.208081      3.130318
  C      -5.989448      2.926191      6.457481
  C      -6.746202      4.221773      6.774410
  C      -8.263505      4.071732      6.650001
  C      -8.783591      3.836132      5.254017
  N      -7.907967      3.775726      4.260823
  C      -8.386202      3.516179      3.013413
  N      -9.636547      3.298709      2.663523
  C     -10.566146      3.387241      3.665535
  C     -11.934490      3.195471      3.358717
  C     -12.887438      3.298802      4.351508
  C     -12.512735      3.587055      5.683607
  C     -11.185194      3.767340      6.011817
  C     -10.184208      3.670588      5.013247
  H      -3.545207      0.585344      2.766101
  H      -4.601149      1.436071      3.848925
  H      -4.101582     -0.422836      5.627303
  H      -3.390039     -1.333197      4.281009
  H      -5.716098     -2.011929      4.448574
  H      -6.266358     -0.339433      4.676240
  H      -7.439427      1.342741      0.782834
  H      -5.457289     -1.953114     -1.749095
  H      -4.098500     -3.986431     -1.221437
  H      -3.577601     -4.567825      1.138893
  H      -4.389254     -3.142439      2.987586
  H      -4.357236      5.949667      5.905916
  H      -2.902533      6.449507      6.772984
  H      -2.260921      7.703796      4.542175
  H      -3.559378      8.371120      5.551174
  H      -4.048518      8.266755      3.013664
  H      -4.043997      6.518593      3.148487
  H      -7.553456      8.111338      6.713558
  H     -10.162763      7.158367      3.053663
  H      -9.691790      6.527532      0.682402
  H      -7.346747      6.306241     -0.108458
  H      -5.464467      6.712792      1.429484
  H      -6.214218      2.144794      7.204931
  H      -6.333457      2.573139      5.474815
  H      -6.512201      4.560919      7.796120
  H      -6.390189      4.999887      6.083389
  H      -8.618673      3.249885      7.298233
  H      -8.748949      4.980396      7.050904
  H      -7.627110      3.475377      2.223711
  H     -12.201881      2.973589      2.325875
  H     -13.941270      3.158837      4.110872
  H     -13.281247      3.666893      6.453964
  H     -10.905391      3.985550      7.042062
  N      -4.410585      3.747369      3.338916
  N      -5.193004      3.852478      2.411360
  H      -4.751111      3.680775      1.485365
98
Coordinates from ORCA-job orca E -6258.334443796839
  N      -2.560971      1.542985      4.407026
  Mo     -3.324154      3.336535      4.818703
  N      -4.530410      3.132560      6.339333
  C      -3.895322      3.190751      7.679528
  C      -2.541267      2.489733      7.676304
  N      -1.723226      2.965533      6.527176
  C      -0.783578      1.926529      6.014304
  C      -1.555432      0.873077      5.224930
  C      -1.018883      4.252670      6.806644
  C      -1.103016      5.110184      5.539156
  N      -2.520892      5.136073      5.136145
  H      -0.857199      0.296956      4.591669
  H      -2.036948      0.155045      5.910233
  H      -0.078313      2.443160      5.348941
  H      -0.214283      1.472594      6.841494
  H      -0.716949      6.126757      5.708979
  H      -0.496668      4.657065      4.739713
  H      -1.541672      4.754744      7.632235
  H       0.018774      4.062351      7.122115
  H      -4.549538      2.693425      8.413175
  H      -3.788389      4.241985      7.995342
  H      -2.703786      1.411699      7.542070
  H      -1.998552      2.643667      8.623288
  C      -3.668114      0.734207      3.827358
  C      -4.081982     -0.552831      4.526763
  C      -5.511705     -0.958833      4.102851
  C      -5.783201     -0.782839      2.631386
  N      -6.462903      0.308409      2.287415
  C      -6.682546      0.516463      0.960329
  N      -6.273895     -0.228730     -0.046521
  C      -5.569506     -1.355035      0.282216
  C      -5.096289     -2.202287     -0.749244
  C      -4.386997     -3.344450     -0.435685
  C      -4.128904     -3.688605      0.912158
  C      -4.578669     -2.881616      1.936749
  C      -5.301811     -1.696183      1.645840
  C      -3.270728      6.260326      5.724355
  C      -3.286971      7.526496      4.854680
  C      -4.276585      7.393865      3.699194
  C      -5.723969      7.370839      4.145069
  N      -5.982494      7.677615      5.410581
  C      -7.280411      7.665718      5.813014
  N      -8.342886      7.378051      5.090185
  C      -8.106794      7.055338      3.781371
  C      -9.204467      6.730906      2.945590
  C      -8.990491      6.388333      1.626835
  C      -7.680287      6.349276      1.095953
  C      -6.593259      6.661801      1.887864
  C      -6.780850      7.030440      3.244353
  C      -5.994068      2.979441      6.367703
  C      -6.727345      4.298179      6.639278
  C      -8.250568      4.192555      6.523157
  C      -8.809568      3.936427      5.142644
  N      -7.967200      3.809440      4.128035
  C      -8.492848      3.533197      2.902338
  N      -9.760510      3.370260      2.590035
  C     -10.654825      3.528991      3.613635
  C     -12.038447      3.394439      3.348043
  C     -12.956778      3.564451      4.363322
  C     -12.531102      3.867224      5.677091
  C     -11.187472      3.994584      5.964676
  C     -10.221699      3.827005      4.942633
  H      -3.469945      0.555670      2.755087
  H      -4.560239      1.398479      3.807604
  H      -4.090866     -0.413510      5.619286
  H      -3.355158     -1.349199      4.304045
  H      -5.704157     -1.994684      4.417646
  H      -6.228573     -0.311426      4.626826
  H      -7.268308      1.409832      0.717630
  H      -5.314568     -1.926081     -1.780947
  H      -4.025536     -3.997021     -1.231676
  H      -3.574884     -4.601682      1.137021
  H      -4.388121     -3.160907      2.973049
  H      -4.313993      5.950891      5.869877
  H      -2.859437      6.477245      6.725194
  H      -2.278909      7.737144      4.466419
  H      -3.581562      8.370838      5.494678
  H      -4.145287      8.218990      2.978207
  H      -4.063804      6.473869      3.129551
  H      -7.446495      7.922272      6.864613
  H     -10.205310      6.755204      3.377912
  H      -9.835932      6.128515      0.986716
  H      -7.532269      6.060574      0.053972
  H      -5.588029      6.611477      1.471867
  H      -6.247134      2.218228      7.127143
  H      -6.320773      2.609724      5.387458
  H      -6.486524      4.663329      7.649521
  H      -6.351935      5.044915      5.924988
  H      -8.628410      3.404401      7.198521
  H      -8.697817      5.128128      6.901138
  H      -7.759862      3.426092      2.097080
  H     -12.345003      3.160663      2.328134
  H     -14.022908      3.466598      4.154413
  H     -13.271838      4.001167      6.466117
  H     -10.869207      4.227108      6.981084
  N      -4.380931      3.738168      3.344968
  N      -5.125958      3.859594      2.390075
  H      -4.655276      3.645059      1.486671
98
Coordinates from ORCA-job orca E -6258.337848897584
  N      -2.587558      1.546429      4.416775
  Mo     -3.345525      3.343016      4.852111
  N      -4.552421      3.108226      6.366158
  C      -3.915769      3.138872      7.706402
  C      -2.559031      2.446813      7.692429
  N      -1.742499      2.953625      6.558243
  C      -0.796939      1.935456      6.020246
  C      -1.560616      0.887305      5.217631
  C      -1.052317      4.241123      6.859274
  C      -1.128821      5.109588      5.602887
  N      -2.541517      5.135598      5.180486
  H      -0.854677      0.331186      4.575155
  H      -2.021213      0.151069      5.896344
  H      -0.098260      2.472060      5.363602
  H      -0.219098      1.469313      6.834724
  H      -0.751521      6.127355      5.784963
  H      -0.510358      4.667526      4.806117
  H      -1.584874      4.729273      7.686797
  H      -0.015805      4.055771      7.179589
  H      -4.566881      2.623826      8.430065
  H      -3.815427      4.184987      8.043484
  H      -2.711655      1.370180      7.535336
  H      -2.023763      2.584955      8.646075
  C      -3.673478      0.713587      3.826236
  C      -4.065066     -0.583216      4.520017
  C      -5.492971     -0.994278      4.092803
  C      -5.769165     -0.795652      2.624596
  N      -6.446802      0.303453      2.300290
  C      -6.661122      0.537188      0.977629
  N      -6.252554     -0.188676     -0.042455
  C      -5.554753     -1.324511      0.265446
  C      -5.085276     -2.154521     -0.781342
  C      -4.382889     -3.305550     -0.489147
  C      -4.127165     -3.675929      0.851851
  C      -4.572762     -2.885786      1.891177
  C      -5.289908     -1.692146      1.622320
  C      -3.291444      6.280929      5.729974
  C      -3.255346      7.527680      4.834875
  C      -4.205533      7.402144      3.647784
  C      -5.666709      7.439770      4.033704
  N      -5.965474      7.784796      5.280029
  C      -7.280756      7.837100      5.623567
  N      -8.322860      7.581638      4.858287
  C      -8.044175      7.223706      3.566679
  C      -9.117159      6.936192      2.686142
  C      -8.859276      6.561099      1.383413
  C      -7.527252      6.455935      0.912619
  C      -6.463487      6.733766      1.749408
  C      -6.696576      7.128761      3.091578
  C      -6.013918      2.948614      6.404857
  C      -6.755401      4.256508      6.696070
  C      -8.277369      4.127163      6.614081
  C      -8.860507      3.864541      5.245908
  N      -8.037579      3.756451      4.214115
  C      -8.583711      3.479770      2.998622
  N      -9.854553      3.302838      2.709059
  C     -10.729292      3.439842      3.751402
  C     -12.115535      3.285634      3.512259
  C     -13.015127      3.429686      4.547184
  C     -12.567631      3.727268      5.854841
  C     -11.220758      3.874923      6.116448
  C     -10.273856      3.732761      5.073963
  H      -3.462425      0.543337      2.754982
  H      -4.579514      1.355772      3.811970
  H      -4.076593     -0.448560      5.613476
  H      -3.330390     -1.371749      4.294956
  H      -5.679602     -2.035975      4.393266
  H      -6.212204     -0.357979      4.627492
  H      -7.241603      1.437249      0.750291
  H      -5.301088     -1.858041     -1.807602
  H      -4.024503     -3.944972     -1.297265
  H      -3.578613     -4.595593      1.059687
  H      -4.383718     -3.184666      2.921806
  H      -4.343979      5.991976      5.859308
  H      -2.896344      6.512751      6.733635
  H      -2.229989      7.704774      4.474616
  H      -3.546541      8.391755      5.448967
  H      -4.020262      8.212022      2.921350
  H      -4.001498      6.468237      3.099788
  H      -7.482738      8.121603      6.662181
  H     -10.136067      7.012929      3.072576
  H      -9.686737      6.330627      0.708525
  H      -7.344633      6.148197     -0.119712
  H      -5.437689      6.639068      1.377905
  H      -6.252438      2.179940      7.162073
  H      -6.348134      2.582049      5.426757
  H      -6.498694      4.622274      7.701611
  H      -6.406059      5.008558      5.975399
  H      -8.626175      3.330779      7.294001
  H      -8.730635      5.053296      7.003311
  H      -7.866189      3.386404      2.180953
  H     -12.439035      3.056871      2.496137
  H     -14.084199      3.315214      4.358730
  H     -13.293636      3.841205      6.659865
  H     -10.885982      4.104736      7.128257
  N      -4.452327      3.733319      3.420075
  N      -5.198829      3.873458      2.464067
  H      -4.743979      3.630716      1.559029
98
Coordinates from ORCA-job orca E -6258.340241308220
  N      -2.609788      1.580089      4.389489
  Mo     -3.360759      3.368963      4.867362
  N      -4.549535      3.094613      6.388598
  C      -3.905257      3.089132      7.722498
  C      -2.545369      2.404191      7.675163
  N      -1.740609      2.950358      6.550762
  C      -0.793100      1.959865      5.969208
  C      -1.556262      0.921011      5.155150
  C      -1.061495      4.235293      6.876042
  C      -1.143918      5.125356      5.636699
  N      -2.555137      5.149019      5.213245
  H      -0.850632      0.391729      4.489694
  H      -1.986575      0.158350      5.825274
  H      -0.112487      2.521912      5.314661
  H      -0.192121      1.479473      6.759152
  H      -0.777286      6.143579      5.838093
  H      -0.518280      4.706797      4.832435
  H      -1.596992      4.705732      7.711903
  H      -0.022505      4.053684      7.193713
  H      -4.546918      2.554110      8.440671
  H      -3.803784      4.126298      8.088367
  H      -2.690523      1.331400      7.489196
  H      -2.006720      2.517860      8.630748
  C      -3.671601      0.727110      3.787201
  C      -4.027198     -0.582819      4.485763
  C      -5.452418     -1.037075      4.088011
  C      -5.758898     -0.868398      2.622180
  N      -6.469903      0.206540      2.291111
  C      -6.708258      0.413047      0.967622
  N      -6.297678     -0.319048     -0.047153
  C      -5.570636     -1.433497      0.268563
  C      -5.101464     -2.271987     -0.771644
  C      -4.370352     -3.402193     -0.470830
  C      -4.083351     -3.741743      0.872447
  C      -4.527296     -2.942292      1.905470
  C      -5.275399     -1.770337      1.627540
  C      -3.307022      6.297953      5.751625
  C      -3.285280      7.530924      4.838131
  C      -4.251993      7.404542      3.662487
  C      -5.711087      7.444466      4.057924
  N      -6.003466      7.773620      5.310234
  C      -7.317142      7.811284      5.664416
  N      -8.362471      7.553630      4.905679
  C      -8.091662      7.219518      3.606138
  C      -9.168645      6.935784      2.731027
  C      -8.918908      6.590802      1.418641
  C      -7.590711      6.515490      0.932358
  C      -6.522812      6.787071      1.765237
  C      -6.747090      7.146946      3.118000
  C      -6.010014      2.944894      6.417007
  C      -6.738884      4.257660      6.718856
  C      -8.260131      4.147022      6.634121
  C      -8.821502      3.886694      5.258748
  N      -7.974941      3.751605      4.250040
  C      -8.495438      3.481525      3.022493
  N      -9.762677      3.341620      2.699113
  C     -10.661360      3.502954      3.718361
  C     -12.044695      3.385745      3.442150
  C     -12.967667      3.549776      4.453860
  C     -12.547205      3.833483      5.773612
  C     -11.203980      3.947911      6.070866
  C     -10.233419      3.784316      5.052906
  H      -3.447404      0.565009      2.717369
  H      -4.599781      1.337470      3.772494
  H      -4.024464     -0.442158      5.578095
  H      -3.280990     -1.358002      4.254616
  H      -5.603110     -2.079701      4.404434
  H      -6.179960     -0.415625      4.628807
  H      -7.312422      1.295425      0.733727
  H      -5.340939     -1.998676     -1.799557
  H      -4.012469     -4.048828     -1.273629
  H      -3.511644     -4.645508      1.087246
  H      -4.312049     -3.216829      2.938327
  H      -4.355028      6.006594      5.905554
  H      -2.894699      6.548354      6.743949
  H      -2.263824      7.703905      4.465000
  H      -3.566078      8.400694      5.448085
  H      -4.073811      8.217058      2.937203
  H      -4.054658      6.473499      3.107889
  H      -7.513743      8.083302      6.707069
  H     -10.183989      6.989933      3.129157
  H      -9.749467      6.362192      0.748186
  H      -7.415126      6.235576     -0.108619
  H      -5.499889      6.718713      1.381897
  H      -6.264126      2.172254      7.165484
  H      -6.341465      2.587997      5.433263
  H      -6.473970      4.616661      7.725187
  H      -6.385797      5.008451      5.998859
  H      -8.624082      3.356228      7.312873
  H      -8.705734      5.081645      7.012229
  H      -7.758103      3.371675      2.224286
  H     -12.347033      3.167313      2.417181
  H     -14.033899      3.461595      4.237168
  H     -13.291200      3.963994      6.560137
  H     -10.891259      4.170211      7.091281
  N      -4.497432      3.772761      3.466731
  N      -5.265969      3.937730      2.526952
  H      -4.838466      3.704347      1.606275
98
Coordinates from ORCA-job orca E -6258.342124727804
  N      -2.632041      1.600112      4.382734
  Mo     -3.364782      3.388517      4.886649
  N      -4.550967      3.093497      6.402657
  C      -3.911744      3.060933      7.735419
  C      -2.551715      2.374325      7.670740
  N      -1.748682      2.944853      6.556526
  C      -0.799860      1.972061      5.949655
  C      -1.561671      0.941093      5.125783
  C      -1.071973      4.223822      6.905561
  C      -1.142474      5.128676      5.677020
  N      -2.548071      5.154317      5.242478
  H      -0.856109      0.432253      4.443942
  H      -1.972413      0.158244      5.785432
  H      -0.128075      2.549492      5.299108
  H      -0.186042      1.481218      6.723658
  H      -0.780969      6.144913      5.897135
  H      -0.506106      4.725585      4.873287
  H      -1.615071      4.685691      7.741377
  H      -0.035224      4.040148      7.231591
  H      -4.554458      2.515688      8.444978
  H      -3.805220      4.090163      8.122334
  H      -2.697125      1.305929      7.463405
  H      -2.013322      2.467355      8.628901
  C      -3.667658      0.731268      3.764189
  C      -4.000344     -0.585885      4.465715
  C      -5.419239     -1.067118      4.075929
  C      -5.736056     -0.909533      2.611336
  N      -6.467803      0.151403      2.279933
  C      -6.716774      0.348416      0.956859
  N      -6.299608     -0.380913     -0.057415
  C      -5.552572     -1.481968      0.258727
  C      -5.076970     -2.317825     -0.780861
  C      -4.326077     -3.434745     -0.479607
  C      -4.024291     -3.762638      0.863517
  C      -4.473719     -2.965349      1.895967
  C      -5.242967     -1.807329      1.617677
  C      -3.303373      6.310587      5.759540
  C      -3.286557      7.533514      4.833334
  C      -4.258050      7.405127      3.661260
  C      -5.715686      7.432427      4.062410
  N      -6.005989      7.741287      5.320413
  C      -7.318769      7.753772      5.681453
  N      -8.363690      7.485322      4.926603
  C      -8.095539      7.176593      3.620192
  C      -9.172270      6.886280      2.748134
  C      -8.925309      6.569703      1.428273
  C      -7.599554      6.530978      0.931479
  C      -6.531380      6.807009      1.762396
  C      -6.752925      7.137022      3.122803
  C      -6.012351      2.957065      6.408540
  C      -6.734226      4.280410      6.684059
  C      -8.258222      4.185684      6.614461
  C      -8.836205      3.906027      5.248672
  N      -8.000963      3.733573      4.235926
  C      -8.535015      3.451069      3.017436
  N      -9.807363      3.330474      2.705745
  C     -10.695010      3.531371      3.727808
  C     -12.082844      3.441237      3.462555
  C     -12.995076      3.643651      4.477172
  C     -12.558979      3.940555      5.789167
  C     -11.211530      4.031065      6.075503
  C     -10.251461      3.828908      5.054216
  H      -3.420159      0.567555      2.699605
  H      -4.610393      1.315804      3.736866
  H      -3.997560     -0.441361      5.557413
  H      -3.245093     -1.352031      4.235616
  H      -5.547645     -2.111680      4.395330
  H      -6.155797     -0.458522      4.619000
  H      -7.336782      1.220039      0.722108
  H      -5.327712     -2.053116     -1.808543
  H      -3.963599     -4.079567     -1.281826
  H      -3.436446     -4.656037      1.079051
  H      -4.245572     -3.230597      2.928730
  H      -4.348577      6.018672      5.926252
  H      -2.885856      6.579126      6.745286
  H      -2.266727      7.706340      4.456132
  H      -3.565491      8.406371      5.440173
  H      -4.087192      8.223715      2.940685
  H      -4.058663      6.479267      3.099219
  H      -7.514804      8.012025      6.727355
  H     -10.184884      6.913297      3.154106
  H      -9.755823      6.335746      0.760234
  H      -7.425979      6.275664     -0.115552
  H      -5.511484      6.768808      1.372349
  H      -6.287177      2.197299      7.163181
  H      -6.332931      2.589762      5.425588
  H      -6.456913      4.658528      7.680379
  H      -6.380579      5.013174      5.945167
  H      -8.626274      3.414451      7.313655
  H      -8.688702      5.134198      6.976157
  H      -7.803806      3.307702      2.217399
  H     -12.397207      3.211516      2.443733
  H     -14.064245      3.575115      4.269196
  H     -13.294682      4.100321      6.578414
  H     -10.887110      4.264442      7.089841
  N      -4.518764      3.801973      3.507237
  N      -5.292472      3.987915      2.574934
  H      -4.885153      3.755321      1.647286
98
Coordinates from ORCA-job orca E -6258.343595352792
  N      -2.657200      1.600515      4.391480
  Mo     -3.376893      3.385921      4.912828
  N      -4.557416      3.077834      6.425191
  C      -3.923952      3.025091      7.756620
  C      -2.560979      2.342156      7.675300
  N      -1.765358      2.934725      6.566630
  C      -0.811004      1.979750      5.941701
  C      -1.567806      0.949386      5.114965
  C      -1.092606      4.210307      6.933990
  C      -1.150587      5.121624      5.709070
  N      -2.549574      5.144821      5.262208
  H      -0.863945      0.460030      4.416823
  H      -1.958623      0.149823      5.767010
  H      -0.151409      2.570968      5.290596
  H      -0.182208      1.487202      6.702700
  H      -0.793930      6.136709      5.942163
  H      -0.502816      4.727522      4.910361
  H      -1.645420      4.668214      7.765596
  H      -0.059000      4.026673      7.270744
  H      -4.566548      2.468548      8.457361
  H      -3.815791      4.046745      8.162751
  H      -2.705023      1.277248      7.450646
  H      -2.018680      2.420293      8.632435
  C      -3.662677      0.714783      3.757530
  C      -3.976197     -0.609332      4.456968
  C      -5.385884     -1.110669      4.059037
  C      -5.699600     -0.946109      2.594838
  N      -6.443761      0.107929      2.269083
  C      -6.692439      0.312275      0.947018
  N      -6.263915     -0.404267     -0.072017
  C      -5.502523     -1.497448      0.237722
  C      -5.013377     -2.318563     -0.807457
  C      -4.247324     -3.427252     -0.513413
  C      -3.943221     -3.760912      0.827857
  C      -4.405916     -2.978041      1.865693
  C      -5.191147     -1.829004      1.595199
  C      -3.310186      6.310369      5.748545
  C      -3.295567      7.518102      4.801790
  C      -4.273557      7.386576      3.634602
  C      -5.729502      7.420814      4.042042
  N      -6.013746      7.737239      5.299611
  C      -7.324848      7.747897      5.666970
  N      -8.372556      7.463075      4.922293
  C      -8.110764      7.150360      3.615425
  C      -9.190674      6.843468      2.753536
  C      -8.950680      6.525330      1.432985
  C      -7.628872      6.503399      0.925228
  C      -6.556873      6.793717      1.746769
  C      -6.771525      7.122656      3.108438
  C      -6.020659      2.959976      6.415336
  C      -6.728482      4.295048      6.669623
  C      -8.254618      4.220429      6.619893
  C      -8.851146      3.927365      5.264962
  N      -8.027619      3.712773      4.250697
  C      -8.574762      3.425766      3.039830
  N      -9.851978      3.334724      2.736522
  C     -10.727556      3.578515      3.759265
  C     -12.119018      3.524448      3.502062
  C     -13.019845      3.771422      4.516911
  C     -12.568401      4.078299      5.821919
  C     -11.217703      4.134646      6.100404
  C     -10.268638      3.886543      5.078636
  H      -3.387262      0.545273      2.700324
  H      -4.615630      1.276151      3.714030
  H      -3.981211     -0.468039      5.548926
  H      -3.211123     -1.365276      4.226708
  H      -5.498329     -2.160269      4.367791
  H      -6.134035     -0.518356      4.603865
  H      -7.322615      1.178053      0.716784
  H      -5.265904     -2.049191     -1.833596
  H      -3.874600     -4.060589     -1.320082
  H      -3.342914     -4.647271      1.038245
  H      -4.175132     -3.247652      2.896873
  H      -4.352432      6.018254      5.927959
  H      -2.890709      6.605349      6.726391
  H      -2.277176      7.681100      4.416849
  H      -3.565780      8.400310      5.399667
  H      -4.100836      8.201178      2.910032
  H      -4.081931      6.457540      3.075055
  H      -7.516887      8.015523      6.711190
  H     -10.200212      6.861372      3.167218
  H      -9.784060      6.278490      0.773045
  H      -7.459971      6.249369     -0.122526
  H      -5.540374      6.768875      1.349799
  H      -6.314132      2.214985      7.177482
  H      -6.337564      2.584165      5.434621
  H      -6.434054      4.689294      7.655057
  H      -6.374809      5.009056      5.912317
  H      -8.626788      3.468422      7.338034
  H      -8.666481      5.182189      6.968186
  H      -7.851334      3.251377      2.238280
  H     -12.445190      3.286372      2.488882
  H     -14.091482      3.731166      4.315153
  H     -13.295684      4.272914      6.611257
  H     -10.880994      4.375904      7.108957
  N      -4.545088      3.801231      3.545987
  N      -5.318892      3.994366      2.617906
  H      -4.928641      3.758526      1.685449
98
Coordinates from ORCA-job orca E -6258.344772420037
  N      -2.683961      1.603902      4.402771
  Mo     -3.393984      3.383734      4.940788
  N      -4.571949      3.063994      6.448575
  C      -3.943994      2.991078      7.778728
  C      -2.579225      2.312403      7.681801
  N      -1.791526      2.926304      6.578203
  C      -0.829697      1.987170      5.940996
  C      -1.578899      0.958229      5.107942
  C      -1.120971      4.197300      6.966343
  C      -1.160514      5.115575      5.744912
  N      -2.551377      5.137832      5.281050
  H      -0.876755      0.489350      4.394099
  H      -1.953609      0.142651      5.749503
  H      -0.179266      2.590459      5.291871
  H      -0.191257      1.495013      6.694044
  H      -0.807990      6.128628      5.992531
  H      -0.499233      4.729153      4.953810
  H      -1.686475      4.651439      7.791333
  H      -0.093299      4.008969      7.318163
  H      -4.585837      2.421175      8.469310
  H      -3.835966      4.004768      8.204757
  H      -2.722566      1.251323      7.439532
  H      -2.030857      2.376261      8.636288
  C      -3.660664      0.707706      3.747872
  C      -3.962404     -0.624072      4.440094
  C      -5.361558     -1.144025      4.026292
  C      -5.664167     -0.976035      2.559946
  N      -6.419691      0.069596      2.232396
  C      -6.660972      0.276846      0.909538
  N      -6.215717     -0.429990     -0.109262
  C      -5.442102     -1.514264      0.201926
  C      -4.934462     -2.324301     -0.843033
  C      -4.155476     -3.424100     -0.548309
  C      -3.856390     -3.759201      0.793567
  C      -4.337228     -2.987099      1.831248
  C      -5.136123     -1.847503      1.560301
  C      -3.316071      6.312588      5.735401
  C      -3.291484      7.505079      4.768636
  C      -4.268335      7.372812      3.600965
  C      -5.724439      7.416531      4.006624
  N      -6.008071      7.738588      5.262849
  C      -7.318807      7.751675      5.630000
  N      -8.366372      7.458464      4.888171
  C      -8.104786      7.138872      3.582835
  C      -9.184199      6.819362      2.724701
  C      -8.944568      6.496366      1.405267
  C      -7.624280      6.483682      0.894601
  C      -6.552550      6.785010      1.712560
  C      -6.766665      7.115915      3.074111
  C      -6.037074      2.963649      6.428474
  C      -6.733565      4.307533      6.665690
  C      -8.261096      4.244207      6.642618
  C      -8.882357      3.936768      5.302177
  N      -8.076411      3.681728      4.282914
  C      -8.643177      3.388510      3.083195
  N      -9.925852      3.326098      2.795001
  C     -10.783135      3.609643      3.822909
  C     -12.178361      3.588749      3.581584
  C     -13.061084      3.877138      4.601365
  C     -12.587397      4.193638      5.896289
  C     -11.232997      4.218661      6.159274
  C     -10.301996      3.928046      5.131969
  H      -3.354744      0.533836      2.699342
  H      -4.618930      1.250168      3.681805
  H      -3.979140     -0.488840      5.532730
  H      -3.186227     -1.369123      4.211854
  H      -5.461084     -2.197378      4.326458
  H      -6.123905     -0.566535      4.567177
  H      -7.300311      1.135577      0.678039
  H      -5.183291     -2.053682     -1.869677
  H      -3.768652     -4.048800     -1.354997
  H      -3.245487     -4.638124      1.005000
  H      -4.109770     -3.258075      2.862778
  H      -4.358654      6.023629      5.918756
  H      -2.902399      6.630847      6.708741
  H      -2.271086      7.652986      4.382937
  H      -3.553172      8.398124      5.354404
  H      -4.088823      8.183784      2.873977
  H      -4.081778      6.440618      3.044890
  H      -7.511007      8.028866      6.671780
  H     -10.192956      6.832311      3.140073
  H      -9.777584      6.239583      0.748625
  H      -7.455187      6.228392     -0.152900
  H      -5.537039      6.767522      1.313779
  H      -6.343990      2.232127      7.198311
  H      -6.353299      2.579528      5.450898
  H      -6.419349      4.717948      7.638429
  H      -6.387549      5.005072      5.889583
  H      -8.628263      3.508454      7.380001
  H      -8.658555      5.215407      6.981782
  H      -7.933538      3.181921      2.276459
  H     -12.521954      3.342565      2.576170
  H     -14.135537      3.862775      4.411791
  H     -13.301043      4.420799      6.689317
  H     -10.878054      4.467723      7.159648
  N      -4.568602      3.804244      3.580039
  N      -5.343298      4.001500      2.657046
  H      -4.969234      3.763279      1.718492
98
Coordinates from ORCA-job orca E -6258.345775128027
  N      -2.710857      1.602947      4.416314
  Mo     -3.420234      3.373020      4.973324
  N      -4.590405      3.041850      6.481574
  C      -3.959841      2.950581      7.807682
  C      -2.591407      2.282281      7.691402
  N      -1.818175      2.917712      6.588745
  C      -0.847713      1.995640      5.939275
  C      -1.588163      0.965988      5.101419
  C      -1.152873      4.187074      6.991836
  C      -1.180061      5.109664      5.772292
  N      -2.564238      5.126935      5.293924
  H      -0.888264      0.518056      4.372184
  H      -1.945172      0.135781      5.734316
  H      -0.208995      2.611649      5.290640
  H      -0.198643      1.507357      6.685513
  H      -0.834526      6.122338      6.030706
  H      -0.506219      4.730199      4.988578
  H      -1.730656      4.637071      7.810398
  H      -0.130158      3.996280      7.356143
  H      -4.595070      2.363214      8.489903
  H      -3.856526      3.956670      8.253289
  H      -2.730821      1.224185      7.433886
  H      -2.032855      2.336243      8.640349
  C      -3.658494      0.696335      3.740461
  C      -3.947876     -0.644537      4.422241
  C      -5.334822     -1.181829      3.989307
  C      -5.623496     -1.004671      2.521238
  N      -6.387209      0.035007      2.194102
  C      -6.616874      0.251086      0.870768
  N      -6.153465     -0.442057     -0.149334
  C      -5.370536     -1.519832      0.161108
  C      -4.842584     -2.314799     -0.885246
  C      -4.053095     -3.407594     -0.591948
  C      -3.763325     -3.750294      0.749973
  C      -4.264239     -2.992951      1.789030
  C      -5.074467     -1.860944      1.519726
  C      -3.333386      6.308878      5.717994
  C      -3.296030      7.486599      4.732725
  C      -4.268969      7.349841      3.562921
  C      -5.726158      7.404858      3.963151
  N      -6.012291      7.741949      5.214847
  C      -7.323562      7.763732      5.578382
  N      -8.369610      7.459885      4.838562
  C      -8.105084      7.124386      3.537730
  C      -9.182496      6.791435      2.681783
  C      -8.940172      6.456138      1.365872
  C      -7.619850      6.446071      0.855998
  C      -6.550067      6.759303      1.671766
  C      -6.766686      7.099580      3.030779
  C      -6.056928      2.959011      6.463073
  C      -6.738093      4.313003      6.683868
  C      -8.266335      4.264642      6.680727
  C      -8.908742      3.947903      5.352055
  N      -8.120165      3.646649      4.331166
  C      -8.705950      3.349906      3.141513
  N      -9.992469      3.325009      2.864374
  C     -10.831050      3.654681      3.893820
  C     -12.228233      3.675209      3.664101
  C     -13.092339      4.010957      4.685289
  C     -12.597841      4.335076      5.970611
  C     -11.241281      4.320455      6.222263
  C     -10.329029      3.980856      5.193096
  H      -3.323887      0.522294      2.700230
  H      -4.621272      1.221078      3.655186
  H      -3.977175     -0.518236      5.515725
  H      -3.159202     -1.376544      4.194895
  H      -5.422026     -2.239610      4.277563
  H      -6.111689     -0.620850      4.526814
  H      -7.262468      1.105202      0.639882
  H      -5.084297     -2.038364     -1.912022
  H      -3.650635     -4.020561     -1.399976
  H      -3.143683     -4.623185      0.960569
  H      -4.043690     -3.269940      2.820446
  H      -4.377500      6.022916      5.898623
  H      -2.930483      6.646597      6.689444
  H      -2.272586      7.617767      4.349014
  H      -3.549896      8.391188      5.303974
  H      -4.081179      8.154254      2.830788
  H      -4.085738      6.412629      3.014354
  H      -7.517672      8.056226      6.615728
  H     -10.191957      6.804725      3.095751
  H      -9.771596      6.188867      0.711372
  H      -7.448381      6.183913     -0.189573
  H      -5.533879      6.744506      1.273126
  H      -6.372444      2.241134      7.242310
  H      -6.377724      2.566661      5.490677
  H      -6.406356      4.737765      7.644516
  H      -6.397239      4.994039      5.891025
  H      -8.632392      3.543605      7.433033
  H      -8.648491      5.244488      7.011936
  H      -8.011744      3.103814      2.332427
  H     -12.588191      3.422237      2.666050
  H     -14.168348      4.028886      4.504557
  H     -13.297380      4.599795      6.764487
  H     -10.868975      4.575308      7.214896
  N      -4.611847      3.791122      3.624275
  N      -5.395136      3.989133      2.711496
  H      -5.042447      3.744088      1.766458
98
Coordinates from ORCA-job orca E -6258.346748744506
  N      -2.737416      1.607853      4.423553
  Mo     -3.450046      3.364746      5.002186
  N      -4.614954      3.024109      6.512289
  C      -3.979617      2.912201      7.833525
  C      -2.609937      2.252467      7.698347
  N      -1.849103      2.907350      6.597638
  C      -0.870859      1.999451      5.938344
  C      -1.603545      0.973102      5.090802
  C      -1.187800      4.174180      7.015463
  C      -1.199057      5.101483      5.798883
  N      -2.575925      5.116776      5.303493
  H      -0.905343      0.544402      4.348721
  H      -1.948771      0.129692      5.713124
  H      -0.239419      2.626506      5.293537
  H      -0.216930      1.512910      6.681210
  H      -0.860483      6.113345      6.068912
  H      -0.511910      4.728857      5.023521
  H      -1.779290      4.620750      7.826001
  H      -0.171581      3.977753      7.394603
  H      -4.607876      2.306573      8.506599
  H      -3.881386      3.909638      8.299733
  H      -2.746593      1.197773      7.425461
  H      -2.041389      2.296119      8.641726
  C      -3.658379      0.698808      3.720021
  C      -3.943914     -0.650619      4.388578
  C      -5.317120     -1.201291      3.929820
  C      -5.578297     -1.025053      2.456438
  N      -6.342809      0.009333      2.113790
  C      -6.547069      0.223799      0.785950
  N      -6.059664     -0.466766     -0.224633
  C      -5.276325     -1.539480      0.101816
  C      -4.723362     -2.331768     -0.933525
  C      -3.932493     -3.419242     -0.624270
  C      -3.665909     -3.758923      0.723264
  C      -4.191562     -3.004101      1.751827
  C      -5.004199     -1.877702      1.466132
  C      -3.348701      6.303279      5.702928
  C      -3.298069      7.469542      4.703642
  C      -4.265755      7.328421      3.530455
  C      -5.725224      7.389921      3.921779
  N      -6.018470      7.734477      5.169734
  C      -7.331116      7.758864      5.526498
  N      -8.372676      7.447525      4.783539
  C      -8.100696      7.102867      3.486931
  C      -9.172944      6.759626      2.628216
  C      -8.923479      6.418691      1.315153
  C      -7.601758      6.414688      0.810226
  C      -6.537277      6.736976      1.628688
  C      -6.760622      7.079789      2.985972
  C      -6.082729      2.962625      6.500609
  C      -6.745799      4.327684      6.705551
  C      -8.274529      4.294415      6.729514
  C      -8.943621      3.962161      5.417791
  N      -8.177690      3.606986      4.396815
  C      -8.787112      3.297810      3.222184
  N     -10.076830      3.310631      2.959509
  C     -10.891891      3.694169      3.989695
  C     -12.290190      3.755892      3.775058
  C     -13.130467      4.145665      4.797165
  C     -12.610536      4.485113      6.068322
  C     -11.252157      4.431922      6.304982
  C     -10.364143      4.036478      5.274458
  H      -3.294049      0.528847      2.688772
  H      -4.623204      1.211081      3.612509
  H      -3.990187     -0.532371      5.482416
  H      -3.143056     -1.371312      4.167835
  H      -5.398253     -2.260558      4.214117
  H      -6.110099     -0.650070      4.453706
  H      -7.192535      1.074399      0.542221
  H      -4.947189     -2.057614     -1.964996
  H      -3.510765     -4.030188     -1.423959
  H      -3.044543     -4.627424      0.946469
  H      -3.988635     -3.278811      2.787505
  H      -4.395106      6.019548      5.874861
  H      -2.959840      6.653681      6.675684
  H      -2.271243      7.585817      4.324236
  H      -3.545799      8.383762      5.261944
  H      -4.071582      8.128704      2.795428
  H      -4.081887      6.387925      2.987402
  H      -7.530406      8.060630      6.560211
  H     -10.184232      6.770459      3.037460
  H      -9.750804      6.144070      0.658638
  H      -7.425114      6.151564     -0.234248
  H      -5.520200      6.728776      1.232562
  H      -6.404863      2.259192      7.290068
  H      -6.412385      2.562091      5.534649
  H      -6.392362      4.769038      7.650813
  H      -6.414048      4.990232      5.893206
  H      -8.635518      3.590131      7.500090
  H      -8.640697      5.283329      7.051397
  H      -8.112599      3.005171      2.411530
  H     -12.670162      3.490149      2.787762
  H     -14.207404      4.195091      4.628075
  H     -13.291655      4.792779      6.862772
  H     -10.859137      4.698898      7.286347
  N      -4.653346      3.785200      3.662285
  N      -5.450245      3.985259      2.763935
  H      -5.116817      3.739882      1.811645
98
Coordinates from ORCA-job orca E -6258.347767591521
  N      -2.762207      1.616430      4.427461
  Mo     -3.483979      3.356243      5.032467
  N      -4.640206      3.005995      6.548910
  C      -3.992798      2.872629      7.862566
  C      -2.621618      2.224467      7.705163
  N      -1.876629      2.898699      6.604562
  C      -0.891369      2.005337      5.934301
  C      -1.617893      0.983275      5.076734
  C      -1.221934      4.165539      7.033303
  C      -1.222873      5.096689      5.820433
  N      -2.594253      5.108069      5.310607
  H      -0.921416      0.573200      4.322928
  H      -1.951650      0.127867      5.689125
  H      -0.267321      2.643680      5.293901
  H      -0.233301      1.519983      6.673930
  H      -0.893701      6.108952      6.100011
  H      -0.524170      4.731923      5.051659
  H      -1.826542      4.607688      7.836574
  H      -0.211005      3.966067      7.424649
  H      -4.610159      2.246386      8.527297
  H      -3.901497      3.860686      8.349876
  H      -2.753846      1.172891      7.418043
  H      -2.041451      2.259553      8.641710
  C      -3.660335      0.708776      3.695741
  C      -3.945051     -0.649682      4.348209
  C      -5.304718     -1.210010      3.863349
  C      -5.536620     -1.035527      2.384874
  N      -6.299791     -0.006130      2.024324
  C      -6.476541      0.204379      0.691835
  N      -5.964996     -0.485494     -0.306957
  C      -5.183267     -1.553455      0.038012
  C      -4.605135     -2.345373     -0.983736
  C      -3.815157     -3.427810     -0.655571
  C      -3.574373     -3.762818      0.698038
  C      -4.125024     -3.008344      1.713579
  C      -4.937647     -1.886893      1.408366
  C      -3.371298      6.297117      5.690592
  C      -3.302219      7.456529      4.683544
  C      -4.258688      7.308139      3.502783
  C      -5.721376      7.374167      3.880287
  N      -6.025688      7.733424      5.121364
  C      -7.340689      7.758673      5.468387
  N      -8.374922      7.430256      4.722651
  C      -8.091557      7.068324      3.433412
  C      -9.155431      6.703792      2.572529
  C      -8.894837      6.349323      1.265218
  C      -7.570424      6.353992      0.767346
  C      -6.514393      6.696360      1.588044
  C      -6.748519      7.049736      2.940730
  C      -6.108526      2.960894      6.551903
  C      -6.754715      4.336595      6.736449
  C      -8.283657      4.320673      6.780999
  C      -8.977341      3.974698      5.485200
  N      -8.236119      3.564470      4.466537
  C      -8.869855      3.244766      3.307160
  N     -10.160866      3.298560      3.057147
  C     -10.950152      3.738467      4.085327
  C     -12.347603      3.844558      3.883583
  C     -13.161962      4.289797      4.904151
  C     -12.616316      4.642937      6.160465
  C     -11.257822      4.547861      6.384155
  C     -10.396331      4.094697      5.355027
  H      -3.270741      0.548579      2.672068
  H      -4.627859      1.212649      3.571226
  H      -4.008190     -0.539650      5.442201
  H      -3.133233     -1.360246      4.134636
  H      -5.382701     -2.270132      4.145253
  H      -6.112171     -0.666077      4.372631
  H      -7.120432      1.051598      0.433004
  H      -4.809109     -2.074997     -2.020298
  H      -3.373956     -4.038531     -1.444858
  H      -2.953077     -4.627389      0.935992
  H      -3.941874     -3.279431      2.753831
  H      -4.421650      6.016299      5.844199
  H      -3.001928      6.651815      6.669243
  H      -2.270393      7.560674      4.314212
  H      -3.548220      8.378463      5.229452
  H      -4.057461      8.102837      2.763468
  H      -4.069817      6.363419      2.968689
  H      -7.548325      8.075022      6.496089
  H     -10.169454      6.710635      2.975133
  H      -9.715593      6.059529      0.607007
  H      -7.385833      6.083412     -0.273931
  H      -5.495510      6.697227      1.195567
  H      -6.432391      2.272890      7.353917
  H      -6.449498      2.549304      5.594809
  H      -6.383601      4.795854      7.666168
  H      -6.429503      4.978783      5.905149
  H      -8.642267      3.632780      7.567480
  H      -8.633691      5.318280      7.092765
  H      -8.217539      2.901074      2.498020
  H     -12.747804      3.567148      2.907509
  H     -14.238405      4.373088      4.745011
  H     -13.277049      4.994798      6.953746
  H     -10.844254      4.825570      7.353989
  N      -4.709028      3.773496      3.710646
  N      -5.528729      3.977484      2.834560
  H      -5.221712      3.729684      1.873797
98
Coordinates from ORCA-job orca E -6258.348798062629
  N      -2.780010      1.627514      4.427775
  Mo     -3.517556      3.345842      5.060365
  N      -4.663895      2.989272      6.587738
  C      -4.001667      2.835920      7.892641
  C      -2.629783      2.199035      7.714435
  N      -1.899466      2.889235      6.613955
  C      -0.908352      2.008827      5.933467
  C      -1.630631      0.992464      5.064635
  C      -1.255424      4.159292      7.048764
  C      -1.250231      5.092593      5.839824
  N      -2.616706      5.097821      5.315121
  H      -0.934137      0.597102      4.303301
  H      -1.957102      0.127518      5.668139
  H      -0.289210      2.657281      5.298944
  H      -0.248360      1.522171      6.670369
  H      -0.933867      6.106804      6.126925
  H      -0.540370      4.737396      5.076813
  H      -1.873402      4.597155      7.844345
  H      -0.248437      3.961553      7.451603
  H      -4.607660      2.190959      8.550598
  H      -3.916776      3.815029      8.398879
  H      -2.756750      1.149788      7.416441
  H      -2.040271      2.227872      8.645473
  C      -3.658111      0.727141      3.664091
  C      -3.949106     -0.638990      4.299678
  C      -5.297133     -1.201359      3.788942
  C      -5.496624     -1.030291      2.305776
  N      -6.249639     -0.000828      1.924410
  C      -6.394974      0.203916      0.586836
  N      -5.863166     -0.491244     -0.397361
  C      -5.091986     -1.559464     -0.030682
  C      -4.493407     -2.357404     -1.035912
  C      -3.713539     -3.439791     -0.685229
  C      -3.503445     -3.768986      0.675159
  C      -4.074586     -3.008672      1.674849
  C      -4.877748     -1.886853      1.346395
  C      -3.400846      6.284963      5.683957
  C      -3.314774      7.443826      4.676809
  C      -4.256311      7.289323      3.485028
  C      -5.724013      7.351385      3.842691
  N      -6.047574      7.716802      5.077012
  C      -7.366880      7.731101      5.408225
  N      -8.387496      7.381474      4.653989
  C      -8.084528      7.012453      3.371545
  C      -9.132598      6.622745      2.502377
  C      -8.852398      6.264292      1.200308
  C      -7.523415      6.290790      0.715218
  C      -6.482698      6.656406      1.544748
  C      -6.736352      7.011452      2.893026
  C      -6.131925      2.963004      6.607886
  C      -6.757383      4.351559      6.764526
  C      -8.285828      4.358451      6.834116
  C      -9.006669      3.988099      5.559992
  N      -8.293491      3.510245      4.551107
  C      -8.952703      3.169254      3.411517
  N     -10.243208      3.264006      3.172461
  C     -11.004104      3.771737      4.191618
  C     -12.398903      3.921748      3.999847
  C     -13.185051      4.432982      5.011896
  C     -12.612729      4.811290      6.248604
  C     -11.255566      4.675453      6.461743
  C     -10.422839      4.154197      5.441218
  H      -3.244571      0.581742      2.647896
  H      -4.628256      1.228044      3.523736
  H      -4.029298     -0.534954      5.393182
  H      -3.130185     -1.344127      4.095602
  H      -5.378848     -2.260990      4.071477
  H      -6.115477     -0.658341      4.281522
  H      -7.029879      1.052092      0.309804
  H      -4.673692     -2.091565     -2.078168
  H      -3.256446     -4.055320     -1.461691
  H      -2.889562     -4.633845      0.930485
  H      -3.914969     -3.275247      2.720223
  H      -4.454434      6.004157      5.813377
  H      -3.053277      6.635732      6.671810
  H      -2.277801      7.542261      4.320684
  H      -3.563845      8.369258      5.214775
  H      -4.049588      8.081829      2.744724
  H      -4.056166      6.343136      2.957459
  H      -7.590285      8.056279      6.429713
  H     -10.150705      6.614844      2.894074
  H      -9.661018      5.956506      0.535572
  H      -7.324587      6.019510     -0.323076
  H      -5.460970      6.674936      1.161242
  H      -6.457309      2.295589      7.426083
  H      -6.487570      2.536257      5.662383
  H      -6.365354      4.834025      7.673728
  H      -6.439248      4.965847      5.908973
  H      -8.641464      3.694364      7.642533
  H      -8.616621      5.367759      7.127237
  H      -8.324607      2.766496      2.609829
  H     -12.819872      3.623518      3.038701
  H     -14.259595      4.549309      4.860636
  H     -13.250831      5.215562      7.035567
  H     -10.821736      4.973316      7.416576
  N      -4.764271      3.757081      3.757389
  N      -5.614917      3.964354      2.910682
  H      -5.333717      3.724544      1.939938
98
Coordinates from ORCA-job orca E -6258.349763064542
  N      -2.788238      1.639816      4.430377
  Mo     -3.544898      3.335358      5.091787
  N      -4.676991      2.970482      6.631939
  C      -4.000131      2.801556      7.927526
  C      -2.624729      2.180102      7.728368
  N      -1.911351      2.885677      6.626748
  C      -0.915100      2.019352      5.935350
  C      -1.633248      1.006039      5.058571
  C      -1.281672      4.162457      7.063182
  C      -1.278854      5.096188      5.855573
  N      -2.642055      5.089339      5.320849
  H      -0.935780      0.624190      4.291320
  H      -1.951035      0.132438      5.654544
  H      -0.301898      2.677775      5.305587
  H      -0.250900      1.530978      6.667257
  H      -0.977326      6.113788      6.146712
  H      -0.560592      4.752035      5.095423
  H      -1.909942      4.594940      7.853845
  H      -0.275467      3.974253      7.472984
  H      -4.593585      2.139315      8.579992
  H      -3.921866      3.772609      8.450133
  H      -2.743765      1.132194      7.422544
  H      -2.026926      2.205941      8.654364
  C      -3.646670      0.746860      3.635934
  C      -3.945614     -0.626339      4.253806
  C      -5.285974     -1.185321      3.721438
  C      -5.460383     -1.015160      2.235426
  N      -6.200666      0.018035      1.839466
  C      -6.323107      0.218892      0.498716
  N      -5.781185     -0.483349     -0.474695
  C      -5.022840     -1.555417     -0.092850
  C      -4.414753     -2.361237     -1.086139
  C      -3.647928     -3.447490     -0.719624
  C      -3.460910     -3.772989      0.645114
  C      -4.041876     -3.005127      1.633281
  C      -4.832043     -1.878959      1.288542
  C      -3.436119      6.272952      5.680377
  C      -3.336486      7.432567      4.674977
  C      -4.262824      7.270918      3.472002
  C      -5.735001      7.328935      3.811145
  N      -6.076250      7.708650      5.036224
  C      -7.399668      7.713124      5.352286
  N      -8.406991      7.334695      4.594280
  C      -8.085865      6.949863      3.321067
  C      -9.118004      6.525372      2.449317
  C      -8.819413      6.152707      1.155385
  C      -7.486715      6.199601      0.680603
  C      -6.460778      6.597196      1.514073
  C      -6.733315      6.965491      2.854918
  C      -6.144870      2.952756      6.667775
  C      -6.758113      4.350244      6.792588
  C      -8.285900      4.378950      6.880753
  C      -9.028794      3.990329      5.624824
  N      -8.341546      3.450740      4.629761
  C      -9.019685      3.101527      3.503574
  N     -10.305802      3.243824      3.265601
  C     -11.040814      3.812423      4.271766
  C     -12.428947      4.013927      4.079104
  C     -13.189548      4.586605      5.077687
  C     -12.596963      4.977422      6.300736
  C     -11.245321      4.793235      6.513767
  C     -10.438560      4.208279      5.507194
  H      -3.210971      0.618283      2.627063
  H      -4.614955      1.243965      3.482664
  H      -4.040591     -0.528361      5.346801
  H      -3.123247     -1.329585      4.057222
  H      -5.375278     -2.244390      4.003843
  H      -6.110374     -0.639761      4.201028
  H      -6.947638      1.070411      0.208457
  H      -4.577370     -2.098225     -2.132025
  H      -3.183468     -4.069222     -1.486719
  H      -2.857124     -4.641275      0.912729
  H      -3.900070     -3.269012      2.681882
  H      -4.491342      5.989777      5.787488
  H      -3.108566      6.620335      6.676247
  H      -2.295296      7.529822      4.331015
  H      -3.591463      8.359543      5.207292
  H      -4.050662      8.059864      2.729313
  H      -4.051650      6.322241      2.952832
  H      -7.638695      8.054550      6.364812
  H     -10.139234      6.504026      2.832146
  H      -9.616172      5.819785      0.488401
  H      -7.274252      5.918437     -0.352234
  H      -5.436407      6.629739      1.139412
  H      -6.468107      2.308048      7.504460
  H      -6.513390      2.505434      5.736484
  H      -6.349857      4.855624      7.682102
  H      -6.445392      4.936138      5.915028
  H      -8.640481      3.737182      7.707800
  H      -8.598943      5.398725      7.155355
  H      -8.412894      2.647068      2.712852
  H     -12.865450      3.704877      3.128399
  H     -14.259007      4.742136      4.925945
  H     -13.214295      5.430536      7.077633
  H     -10.796783      5.101992      7.458245
  N      -4.817026      3.733482      3.812134
  N      -5.698953      3.942001      2.996705
  H      -5.446786      3.712871      2.015659
98
Coordinates from ORCA-job orca E -6258.347228123936
  N      -2.820306      1.660573      4.396321
  Mo     -3.570457      3.353409      5.091138
  N      -4.684358      2.972633      6.645098
  C      -3.992947      2.792209      7.934615
  C      -2.621374      2.168740      7.705552
  N      -1.921010      2.881394      6.595301
  C      -0.932510      2.014199      5.884466
  C      -1.660044      1.013449      4.999823
  C      -1.279435      4.152497      7.035932
  C      -1.281152      5.105358      5.840422
  N      -2.646513      5.103660      5.315557
  H      -0.972150      0.645957      4.218176
  H      -1.968222      0.127859      5.587820
  H      -0.326036      2.679714      5.254404
  H      -0.263075      1.518375      6.608489
  H      -0.978786      6.121920      6.141163
  H      -0.564885      4.774049      5.072882
  H      -1.898691      4.579435      7.834107
  H      -0.274790      3.947223      7.439274
  H      -4.574387      2.120328      8.590379
  H      -3.913686      3.757730      8.468601
  H      -2.742240      1.122893      7.393331
  H      -2.007683      2.185519      8.622326
  C      -3.683555      0.780677      3.612600
  C      -3.992050     -0.579812      4.237487
  C      -5.324828     -1.139764      3.703302
  C      -5.479096     -1.003241      2.216431
  N      -6.212696      0.020930      1.790526
  C      -6.314893      0.191125      0.445186
  N      -5.757368     -0.535708     -0.505763
  C      -5.005551     -1.600564     -0.092528
  C      -4.382677     -2.430803     -1.061169
  C      -3.621285     -3.509882     -0.661807
  C      -3.453554     -3.801487      0.710240
  C      -4.049344     -3.008144      1.674417
  C      -4.835459     -1.889677      1.296554
  C      -3.427351      6.284941      5.687539
  C      -3.313167      7.457790      4.701684
  C      -4.242919      7.308052      3.491933
  C      -5.723596      7.355080      3.835607
  N      -6.066720      7.725951      5.069074
  C      -7.397299      7.720306      5.394103
  N      -8.410303      7.333808      4.637354
  C      -8.085535      6.949616      3.356357
  C      -9.122616      6.508390      2.487088
  C      -8.822759      6.143830      1.183168
  C      -7.484700      6.215537      0.696490
  C      -6.452799      6.625112      1.528439
  C      -6.726365      6.983833      2.879753
  C      -6.149384      2.946414      6.684279
  C      -6.765649      4.339035      6.797936
  C      -8.289976      4.368598      6.885879
  C      -9.026430      3.968521      5.634086
  N      -8.340186      3.426397      4.656404
  C      -9.008046      3.079522      3.529884
  N     -10.283938      3.231705      3.276753
  C     -11.018308      3.800397      4.265813
  C     -12.395126      4.010377      4.055221
  C     -13.155367      4.576784      5.037389
  C     -12.572288      4.955114      6.259162
  C     -11.231215      4.766569      6.488764
  C     -10.425796      4.187752      5.500221
  H      -3.256228      0.649276      2.603895
  H      -4.651804      1.275118      3.453807
  H      -4.088530     -0.471885      5.327147
  H      -3.176813     -1.287853      4.049590
  H      -5.416311     -2.189229      4.000897
  H      -6.148813     -0.584030      4.164485
  H      -6.930753      1.038859      0.130649
  H      -4.530055     -2.192851     -2.112891
  H      -3.145334     -4.151968     -1.408695
  H      -2.852911     -4.664319      1.001935
  H      -3.922134     -3.246117      2.728664
  H      -4.488693      6.008671      5.784734
  H      -3.099032      6.606416      6.692141
  H      -2.264174      7.559342      4.368871
  H      -3.571760      8.378681      5.245240
  H      -4.031811      8.103774      2.756347
  H      -4.028292      6.364402      2.957150
  H      -7.633203      8.058775      6.414495
  H     -10.149019      6.471479      2.878581
  H      -9.623427      5.801151      0.516207
  H      -7.273998      5.943111     -0.344798
  H      -5.425430      6.671822      1.146355
  H      -6.470473      2.306819      7.522309
  H      -6.514565      2.492990      5.754739
  H      -6.354952      4.848817      7.682181
  H      -6.463109      4.920975      5.917034
  H      -8.644330      3.736868      7.721063
  H      -8.603152      5.389468      7.148475
  H      -8.400058      2.620798      2.755471
  H     -12.824210      3.710824      3.106263
  H     -14.216137      4.736078      4.873244
  H     -13.189116      5.401530      7.022801
  H     -10.791578      5.066534      7.432018
  N      -4.843276      3.750415      3.824465
  N      -5.716932      4.005084      3.022255
  H      -5.469439      3.786578      2.045486
98
Coordinates from ORCA-job orca E -6258.347682234056
  N      -2.842656      1.665639      4.399370
  Mo     -3.592173      3.350559      5.112110
  N      -4.695609      2.965676      6.673297
  C      -3.992920      2.772222      7.955703
  C      -2.622086      2.152083      7.709010
  N      -1.934106      2.872261      6.594705
  C      -0.945256      2.008898      5.877280
  C      -1.673965      1.010374      4.989782
  C      -1.293879      4.143667      7.038778
  C      -1.293745      5.103168      5.848580
  N      -2.657118      5.099075      5.319539
  H      -0.987207      0.649896      4.196492
  H      -1.975302      0.115217      5.576992
  H      -0.340905      2.677188      5.248730
  H      -0.274329      1.511951      6.599301
  H      -0.996963      6.119860      6.156976
  H      -0.573600      4.780397      5.081438
  H      -1.916090      4.567564      7.835134
  H      -0.291552      3.936260      7.444565
  H      -4.566003      2.090603      8.609039
  H      -3.914177      3.732218      8.499442
  H      -2.743093      1.107918      7.392129
  H      -1.998962      2.164402      8.619713
  C      -3.694914      0.792838      3.597680
  C      -4.013052     -0.568741      4.214143
  C      -5.337230     -1.130391      3.658761
  C      -5.465055     -0.999324      2.166999
  N      -6.195405      0.023689      1.726547
  C      -6.275069      0.189078      0.377194
  N      -5.697829     -0.540974     -0.564001
  C      -4.947232     -1.604845     -0.135341
  C      -4.302314     -2.438784     -1.092767
  C      -3.540023     -3.517000     -0.677577
  C      -3.394943     -3.803803      0.699975
  C      -4.013433     -3.006996      1.653682
  C      -4.799902     -1.889070      1.259325
  C      -3.437885      6.284120      5.683769
  C      -3.315173      7.456503      4.698063
  C      -4.236915      7.309461      3.480446
  C      -5.721774      7.355472      3.810286
  N      -6.078320      7.736459      5.040332
  C      -7.411931      7.725098      5.353918
  N      -8.415347      7.320056      4.590472
  C      -8.077662      6.924406      3.312711
  C      -9.104271      6.461415      2.436915
  C      -8.790745      6.088082      1.135360
  C      -7.448668      6.171876      0.657529
  C      -6.426886      6.600336      1.496530
  C      -6.714654      6.968111      2.845973
  C      -6.158530      2.943753      6.723198
  C      -6.768669      4.341654      6.817747
  C      -8.292481      4.378076      6.923424
  C      -9.047391      3.962722      5.683419
  N      -8.378631      3.381158      4.709072
  C      -9.064271      3.027589      3.592310
  N     -10.342302      3.210366      3.345186
  C     -11.058753      3.815865      4.331723
  C     -12.436626      4.057912      4.126935
  C     -13.179254      4.662951      5.106322
  C     -12.576893      5.049251      6.318955
  C     -11.234180      4.830778      6.542514
  C     -10.446743      4.212157      5.556738
  H      -3.254121      0.665596      2.593797
  H      -4.659774      1.287948      3.427549
  H      -4.123765     -0.460774      5.304766
  H      -3.194337     -1.275329      4.036239
  H      -5.433434     -2.178307      3.958264
  H      -6.169617     -0.573309      4.105115
  H      -6.889247      1.036182      0.050315
  H      -4.432737     -2.204100     -2.149037
  H      -3.046452     -4.162162     -1.415897
  H      -2.793437     -4.666293      1.004284
  H      -3.903074     -3.242142      2.712169
  H      -4.501616      6.011316      5.771443
  H      -3.118205      6.605434      6.690692
  H      -2.263247      7.554158      4.372260
  H      -3.575665      8.377990      5.239671
  H      -4.020775      8.106268      2.748128
  H      -4.016691      6.366365      2.945861
  H      -7.659788      8.075051      6.370393
  H     -10.133603      6.415820      2.821215
  H      -9.583195      5.730568      0.463132
  H      -7.227438      5.894012     -0.383008
  H      -5.395334      6.656291      1.120730
  H      -6.478158      2.317909      7.572812
  H      -6.529650      2.477114      5.801906
  H      -6.343546      4.867757      7.689589
  H      -6.475397      4.907520      5.919986
  H      -8.639833      3.759408      7.773021
  H      -8.596281      5.404346      7.176552
  H      -8.472014      2.537899      2.820547
  H     -12.880847      3.751883      3.184498
  H     -14.241203      4.847104      4.946621
  H     -13.179683      5.526966      7.080422
  H     -10.779843      5.138375      7.478878
  N      -4.873272      3.736538      3.857841
  N      -5.763976      4.007390      3.078424
  H      -5.542475      3.799421      2.091892
98
Coordinates from ORCA-job orca E -6258.348335400790
  N      -2.854688      1.679278      4.403325
  Mo     -3.608784      3.353556      5.130462
  N      -4.706406      2.962851      6.694228
  C      -3.997849      2.758482      7.972819
  C      -2.626721      2.142787      7.714967
  N      -1.946007      2.871269      6.601220
  C      -0.954629      2.014670      5.878391
  C      -1.682258      1.017469      4.987643
  C      -1.310354      4.143601      7.050284
  C      -1.306698      5.106054      5.863014
  N      -2.667675      5.099365      5.327225
  H      -0.993980      0.660719      4.188748
  H      -1.982252      0.116025      5.573939
  H      -0.353358      2.687967      5.252112
  H      -0.281280      1.517018      6.597610
  H      -1.015056      6.122720      6.176443
  H      -0.582147      4.788890      5.098552
  H      -1.938039      4.564380      7.843420
  H      -0.310297      3.937833      7.461036
  H      -4.565678      2.067963      8.621657
  H      -3.921420      3.713681      8.526112
  H      -2.746366      1.100051      7.392215
  H      -1.999425      2.150836      8.623232
  C      -3.695708      0.809950      3.583737
  C      -4.019373     -0.554700      4.191760
  C      -5.339350     -1.113229      3.624067
  C      -5.450322     -0.982708      2.128290
  N      -6.165058      0.041947      1.677915
  C      -6.226276      0.207088      0.325199
  N      -5.645296     -0.524540     -0.609659
  C      -4.910381     -1.590091     -0.170530
  C      -4.262255     -2.426102     -1.120955
  C      -3.514727     -3.505852     -0.695324
  C      -3.388695     -3.792329      0.686232
  C      -4.010924     -2.993884      1.633388
  C      -4.782239     -1.874145      1.228159
  C      -3.450201      6.287231      5.682555
  C      -3.318143      7.452998      4.689624
  C      -4.226740      7.294876      3.465937
  C      -5.711559      7.340093      3.780479
  N      -6.080752      7.736919      5.001709
  C      -7.414082      7.726578      5.302115
  N      -8.405185      7.307727      4.534313
  C      -8.054681      6.894811      3.265106
  C      -9.068174      6.416274      2.385576
  C      -8.741935      6.026187      1.092465
  C      -7.398763      6.105151      0.626893
  C      -6.389023      6.546586      1.470470
  C      -6.691095      6.935628      2.811291
  C      -6.167986      2.945351      6.750896
  C      -6.775414      4.343362      6.835516
  C      -8.297054      4.380595      6.955280
  C      -9.067043      3.955646      5.726304
  N      -8.414481      3.348765      4.756219
  C      -9.115104      2.990122      3.648603
  N     -10.392600      3.191975      3.406578
  C     -11.092365      3.821074      4.390057
  C     -12.468400      4.083272      4.190042
  C     -13.194382      4.711561      5.166262
  C     -12.576443      5.101759      6.370491
  C     -11.234968      4.865037      6.588821
  C     -10.464544      4.222972      5.606057
  H      -3.241196      0.688198      2.583659
  H      -4.659501      1.305153      3.403165
  H      -4.136778     -0.450786      5.283577
  H      -3.199767     -1.259533      4.016579
  H      -5.441772     -2.158940      3.925387
  H      -6.173877     -0.553990      4.061814
  H      -6.826843      1.055957     -0.009996
  H      -4.377831     -2.191390     -2.180629
  H      -3.018620     -4.152497     -1.428312
  H      -2.798896     -4.656208      0.998734
  H      -3.915001     -3.229163      2.694887
  H      -4.515006      6.017201      5.762216
  H      -3.139487      6.612331      6.690531
  H      -2.264802      7.545718      4.371535
  H      -3.582774      8.379447      5.219586
  H      -4.007780      8.085772      2.728173
  H      -3.998634      6.348009      2.943975
  H      -7.673548      8.091824      6.310369
  H     -10.097996      6.372543      2.760395
  H      -9.524538      5.657394      0.417385
  H      -7.167375      5.812314     -0.407229
  H      -5.355103      6.595050      1.104666
  H      -6.483968      2.328876      7.607638
  H      -6.544633      2.470437      5.835755
  H      -6.340682      4.878471      7.698375
  H      -6.491448      4.899411      5.928966
  H      -8.634136      3.769837      7.812388
  H      -8.596619      5.406734      7.204415
  H      -8.537111      2.479236      2.879074
  H     -12.924802      3.773609      3.253924
  H     -14.255157      4.911181      5.010209
  H     -13.165892      5.598008      7.129808
  H     -10.768810      5.176477      7.518711
  N      -4.898176      3.731545      3.885886
  N      -5.806856      4.010061      3.131360
  H      -5.616275      3.818903      2.136076
98
Coordinates from ORCA-job orca E -6258.348782922430
  N      -2.876444      1.694651      4.405895
  Mo     -3.634564      3.357493      5.150423
  N      -4.721183      2.962223      6.720086
  C      -4.001956      2.744107      7.990975
  C      -2.633586      2.131448      7.717795
  N      -1.963620      2.869180      6.604038
  C      -0.973081      2.020351      5.872504
  C      -1.704384      1.029197      4.977491
  C      -1.331865      4.141817      7.059451
  C      -1.327027      5.108537      5.878056
  N      -2.686237      5.100412      5.336736
  H      -1.022023      0.680933      4.174918
  H      -2.002592      0.122638      5.553856
  H      -0.375369      2.698763      5.249036
  H      -0.296911      1.519155      6.586320
  H      -1.039807      6.124488      6.197416
  H      -0.600537      4.798174      5.114635
  H      -1.962991      4.557172      7.850891
  H      -0.334071      3.938155      7.472741
  H      -4.562456      2.045263      8.635775
  H      -3.923964      3.693269      8.553946
  H      -2.754643      1.091104      7.388375
  H      -1.999694      2.132910      8.621372
  C      -3.710630      0.831879      3.569800
  C      -4.038705     -0.537199      4.168346
  C      -5.354687     -1.094762      3.588337
  C      -5.450304     -0.958603      2.091574
  N      -6.162907      0.071680      1.638734
  C      -6.210473      0.242669      0.286004
  N      -5.616819     -0.488297     -0.645730
  C      -4.881134     -1.559442     -0.203457
  C      -4.216946     -2.395750     -1.150162
  C      -3.466692     -3.480714     -0.721366
  C      -3.355407     -3.773142      0.660388
  C      -3.994128     -2.975237      1.603932
  C      -4.767839     -1.849907      1.195000
  C      -3.472246      6.289058      5.684923
  C      -3.326827      7.449497      4.686653
  C      -4.210730      7.274638      3.453824
  C      -5.694218      7.313606      3.742061
  N      -6.085878      7.726539      4.946263
  C      -7.418336      7.712859      5.221973
  N      -8.387892      7.276953      4.445483
  C      -8.014025      6.847353      3.193430
  C      -9.004072      6.350907      2.306113
  C      -8.653446      5.942645      1.030098
  C      -7.306550      6.016538      0.589733
  C      -6.318966      6.472924      1.442309
  C      -6.648572      6.887033      2.765194
  C      -6.181242      2.952716      6.789289
  C      -6.781274      4.353850      6.863569
  C      -8.300523      4.397090      6.997780
  C      -9.086011      3.961312      5.781075
  N      -8.451920      3.326918      4.816340
  C      -9.168746      2.958000      3.719652
  N     -10.443949      3.173483      3.483335
  C     -11.123900      3.826504      4.463244
  C     -12.495654      4.098818      4.270066
  C     -13.201875      4.749022      5.243053
  C     -12.567851      5.151846      6.437055
  C     -11.230014      4.906307      6.648112
  C     -10.479507      4.241403      5.668392
  H      -3.245168      0.717278      2.572600
  H      -4.672352      1.330164      3.382130
  H      -4.161873     -0.438244      5.260748
  H      -3.216956     -1.240336      3.995307
  H      -5.459953     -2.142608      3.886894
  H      -6.194887     -0.535961      4.020067
  H      -6.811416      1.096704     -0.051489
  H      -4.321264     -2.156491     -2.210092
  H      -2.957694     -4.127092     -1.451728
  H      -2.763299     -4.641290      0.975650
  H      -3.908685     -3.215041      2.665443
  H      -4.538429      6.020944      5.750650
  H      -3.175289      6.616416      6.696415
  H      -2.272408      7.541406      4.382419
  H      -3.600571      8.379332      5.201462
  H      -3.985995      8.059075      2.710558
  H      -3.968626      6.323862      2.950621
  H      -7.698717      8.093494      6.214884
  H     -10.035700      6.308015      2.661748
  H      -9.418112      5.560287      0.349240
  H      -7.054842      5.706482     -0.431151
  H      -5.280039      6.511935      1.096977
  H      -6.492435      2.347461      7.655213
  H      -6.568730      2.468770      5.882935
  H      -6.336068      4.898566      7.715593
  H      -6.503664      4.896996      5.947431
  H      -8.630176      3.796054      7.863040
  H      -8.592809      5.425716      7.240892
  H      -8.607444      2.423394      2.953569
  H     -12.964767      3.778461      3.341708
  H     -14.259460      4.955549      5.092181
  H     -13.141473      5.665367      7.194467
  H     -10.751468      5.227287      7.570366
  N      -4.945354      3.727117      3.913731
  N      -5.878759      4.011356      3.185768
  H      -5.729996      3.835754      2.174245
98
Coordinates from ORCA-job orca E -6258.349204229626
  N      -2.869087      1.704999      4.428977
  Mo     -3.633517      3.353773      5.192273
  N      -4.716095      2.955522      6.762423
  C      -3.992149      2.721024      8.027773
  C      -2.623532      2.117415      7.744707
  N      -1.962466      2.867786      6.634883
  C      -0.967925      2.030926      5.898032
  C      -1.693173      1.043369      4.989827
  C      -1.342841      4.143543      7.101152
  C      -1.329218      5.112478      5.920368
  N      -2.683192      5.094322      5.359156
  H      -1.013901      0.712517      4.178751
  H      -1.981380      0.128474      5.551877
  H      -0.369987      2.715765      5.283126
  H      -0.293212      1.527856      6.610918
  H      -1.054332      6.128761      6.251071
  H      -0.589333      4.813891      5.163413
  H      -1.988933      4.553163      7.885274
  H      -0.349207      3.946133      7.529790
  H      -4.548705      2.010252      8.662832
  H      -3.915484      3.661556      8.604579
  H      -2.741437      1.079628      7.405353
  H      -1.985548      2.114101      8.646293
  C      -3.688662      0.852832      3.564140
  C      -4.024240     -0.523950      4.148337
  C      -5.340793     -1.078898      3.562257
  C      -5.437329     -0.925635      2.066763
  N      -6.142199      0.115272      1.622402
  C      -6.197449      0.304324      0.272177
  N      -5.619921     -0.419548     -0.664027
  C      -4.893894     -1.502143     -0.229919
  C      -4.253048     -2.332339     -1.181554
  C      -3.517176     -3.429053     -0.761325
  C      -3.396972     -3.739666      0.617082
  C      -4.011509     -2.948407      1.565475
  C      -4.770969     -1.811078      1.165082
  C      -3.485035      6.281322      5.687467
  C      -3.343318      7.435884      4.681360
  C      -4.215367      7.249009      3.439524
  C      -5.706438      7.276141      3.707356
  N      -6.120407      7.694369      4.901206
  C      -7.458920      7.662454      5.155665
  N      -8.414110      7.202394      4.368047
  C      -8.018131      6.770459      3.126564
  C      -8.992551      6.250519      2.227939
  C      -8.618304      5.840205      0.961552
  C      -7.261828      5.932300      0.543464
  C      -6.289412      6.408051      1.408439
  C      -6.644154      6.827563      2.720713
  C      -6.178724      2.961910      6.834349
  C      -6.769771      4.373077      6.869209
  C      -8.289981      4.425539      7.014821
  C      -9.088541      3.963407      5.810214
  N      -8.471567      3.285514      4.858641
  C      -9.199863      2.895055      3.772056
  N     -10.469911      3.119883      3.535899
  C     -11.132207      3.810700      4.504186
  C     -12.497549      4.091328      4.311290
  C     -13.187048      4.787994      5.271669
  C     -12.542405      5.229205      6.452405
  C     -11.210047      4.974505      6.662899
  C     -10.476482      4.261147      5.696288
  H      -3.203689      0.749601      2.574392
  H      -4.647076      1.352589      3.366364
  H      -4.149954     -0.433685      5.241102
  H      -3.200125     -1.225387      3.974818
  H      -5.446385     -2.132066      3.856944
  H      -6.183798     -0.523469      3.995281
  H      -6.791958      1.168727     -0.057846
  H      -4.364812     -2.078855     -2.238694
  H      -3.028359     -4.070509     -1.495469
  H      -2.817213     -4.617216      0.925749
  H      -3.920707     -3.202840      2.623963
  H      -4.548833      6.002720      5.737991
  H      -3.207094      6.621141      6.701879
  H      -2.288645      7.535014      4.384671
  H      -3.628362      8.365268      5.190916
  H      -3.986463      8.034467      2.698364
  H      -3.959164      6.297133      2.939620
  H      -7.758762      8.048944      6.139333
  H     -10.030617      6.192867      2.566730
  H      -9.370882      5.443201      0.270799
  H      -6.991074      5.621312     -0.470221
  H      -5.244483      6.460565      1.081215
  H      -6.497673      2.379856      7.717146
  H      -6.570477      2.456429      5.939502
  H      -6.314076      4.945199      7.703352
  H      -6.493423      4.887568      5.927674
  H      -8.616113      3.842123      7.900357
  H      -8.574664      5.462241      7.238389
  H      -8.654697      2.330393      3.015569
  H     -12.975712      3.742322      3.392866
  H     -14.239715      5.001855      5.120755
  H     -13.102820      5.780954      7.199727
  H     -10.722669      5.325238      7.575033
  N      -4.948489      3.723417      3.957521
  N      -5.897900      4.026362      3.236150
  H      -5.757013      3.856235      2.208741
98
Coordinates from ORCA-job orca E -6258.349649163439
  N      -2.874052      1.730291      4.409826
  Mo     -3.662579      3.357067      5.208002
  N      -4.727948      2.932997      6.787007
  C      -3.995837      2.684801      8.046223
  C      -2.622968      2.099540      7.741744
  N      -1.978721      2.872158      6.633293
  C      -0.976930      2.058117      5.876899
  C      -1.698764      1.078876      4.958140
  C      -1.372837      4.151959      7.110933
  C      -1.364411      5.127315      5.937858
  N      -2.715329      5.100543      5.369405
  H      -1.028464      0.767497      4.148624
  H      -1.978337      0.161919      5.500281
  H      -0.393396      2.762128      5.266392
  H      -0.290708      1.552965      6.577891
  H      -1.100916      6.144250      6.277313
  H      -0.618181      4.841821      5.181937
  H      -2.026138      4.550473      7.894724
  H      -0.380571      3.962254      7.543213
  H      -4.541565      1.955493      8.673332
  H      -3.927716      3.617261      8.642308
  H      -2.731412      1.063680      7.389436
  H      -1.977905      2.091073      8.637970
  C      -3.688232      0.882101      3.539499
  C      -4.013938     -0.504485      4.111394
  C      -5.326649     -1.064538      3.523456
  C      -5.417073     -0.911327      2.031481
  N      -6.118336      0.131689      1.583369
  C      -6.170662      0.321655      0.234792
  N      -5.594747     -0.403583     -0.696990
  C      -4.872097     -1.488432     -0.259236
  C      -4.235956     -2.319367     -1.207144
  C      -3.505326     -3.416827     -0.783909
  C      -3.385150     -3.728483      0.593399
  C      -3.995315     -2.936565      1.537740
  C      -4.750877     -1.798359      1.134134
  C      -3.524958      6.278507      5.693366
  C      -3.360168      7.430811      4.689185
  C      -4.211490      7.223001      3.439556
  C      -5.702575      7.245576      3.690881
  N      -6.134584      7.687224      4.867437
  C      -7.474891      7.654208      5.106182
  N      -8.414999      7.171671      4.319497
  C      -7.998191      6.711939      3.096268
  C      -8.954308      6.165894      2.199259
  C      -8.559444      5.728037      0.950643
  C      -7.197826      5.814965      0.549325
  C      -6.241355      6.314688      1.414090
  C      -6.620652      6.767566      2.706585
  C      -6.190577      2.951150      6.870198
  C      -6.768291      4.368137      6.892998
  C      -8.286843      4.438982      7.048477
  C      -9.094337      3.966626      5.855819
  N      -8.486446      3.245757      4.921200
  C      -9.220250      2.844132      3.843291
  N     -10.486946      3.094807      3.600341
  C     -11.140195      3.831530      4.551748
  C     -12.502113      4.143071      4.350596
  C     -13.184218      4.884371      5.294086
  C     -12.534695      5.339201      6.465699
  C     -11.205203      5.054443      6.683690
  C     -10.479217      4.296644      5.734283
  H      -3.196160      0.789646      2.551890
  H      -4.655079      1.378986      3.342041
  H      -4.138782     -0.427594      5.201367
  H      -3.184773     -1.199210      3.929528
  H      -5.427574     -2.121027      3.815754
  H      -6.174395     -0.512174      3.954028
  H      -6.760787      1.188565     -0.098081
  H      -4.347766     -2.065436     -2.263470
  H      -3.021135     -4.058450     -1.515246
  H      -2.809085     -4.606456      0.903948
  H      -3.905220     -3.190583      2.595061
  H      -4.591383      5.998897      5.722476
  H      -3.266091      6.611645      6.716978
  H      -2.300555      7.527778      4.408481
  H      -3.650675      8.363964      5.183804
  H      -3.977254      7.996447      2.686274
  H      -3.944746      6.264531      2.960396
  H      -7.790386      8.062781      6.074753
  H      -9.996003      6.111422      2.524988
  H      -9.298649      5.310051      0.261262
  H      -6.910022      5.478585     -0.449586
  H      -5.189403      6.355941      1.103075
  H      -6.507787      2.383109      7.762653
  H      -6.593591      2.438098      5.984723
  H      -6.304182      4.946361      7.716041
  H      -6.493913      4.869423      5.945866
  H      -8.616999      3.870648      7.943044
  H      -8.559290      5.483956      7.260003
  H      -8.681651      2.241301      3.101968
  H     -12.983915      3.781727      3.440011
  H     -14.234513      5.121756      5.137139
  H     -13.089556      5.925211      7.200256
  H     -10.714624      5.414717      7.588592
  N      -4.997420      3.733372      3.989518
  N      -5.956794      4.038898      3.298349
  H      -5.849811      3.890828      2.276323
98
Coordinates from ORCA-job orca E -6258.350350784019
  N      -2.843026      1.690180      4.433744
  Mo     -3.644786      3.316482      5.198315
  N      -4.723999      2.913909      6.766721
  C      -4.006630      2.687202      8.035165
  C      -2.628834      2.104127      7.760495
  N      -1.970828      2.857796      6.654963
  C      -0.964257      2.040415      5.918219
  C      -1.678743      1.047191      5.011566
  C      -1.375366      4.143699      7.116199
  C      -1.361810      5.094965      5.923523
  N      -2.711250      5.063572      5.343033
  H      -0.999299      0.715055      4.219162
  H      -1.971563      0.145576      5.566211
  H      -0.379597      2.736833      5.303009
  H      -0.278650      1.547031      6.626035
  H      -1.098719      6.114482      6.246156
  H      -0.610049      4.792826      5.179393
  H      -2.036119      4.554280      7.889497
  H      -0.382535      3.967917      7.557828
  H      -4.561896      1.970049      8.663439
  H      -3.944744      3.626072      8.615673
  H      -2.731719      1.065037      7.423498
  H      -1.998288      2.112235      8.665002
  C      -3.647115      0.822506      3.561958
  C      -3.966092     -0.564137      4.141261
  C      -5.282955     -1.125607      3.559894
  C      -5.385037     -0.934138      2.077399
  N      -6.089715      0.117459      1.668298
  C      -6.141607      0.345572      0.331718
  N      -5.559164     -0.351317     -0.622757
  C      -4.835721     -1.443816     -0.225625
  C      -4.193793     -2.244278     -1.199950
  C      -3.466327     -3.348073     -0.818831
  C      -3.353614     -3.696709      0.541626
  C      -3.967110     -2.935554      1.511359
  C      -4.719197     -1.792082      1.151151
  C      -3.522914      6.248852      5.651535
  C      -3.367424      7.389333      4.630425
  C      -4.242477      7.185158      3.395805
  C      -5.731291      7.237079      3.669603
  N      -6.139155      7.684491      4.849329
  C      -7.476697      7.674806      5.107236
  N      -8.435576      7.211641      4.336584
  C      -8.043645      6.751784      3.108999
  C      -9.020241      6.231838      2.226529
  C      -8.651437      5.793693      0.974417
  C      -7.296796      5.853812      0.555542
  C      -6.319946      6.328313      1.405968
  C      -6.672116      6.781795      2.700644
  C      -6.191021      2.941378      6.847958
  C      -6.763658      4.361088      6.877062
  C      -8.284815      4.437645      7.030905
  C      -9.098731      3.982913      5.836335
  N      -8.495396      3.268460      4.894335
  C      -9.237796      2.881404      3.816225
  N     -10.508373      3.132214      3.582689
  C     -11.156950      3.865482      4.541142
  C     -12.522861      4.186151      4.348419
  C     -13.200771      4.935684      5.297547
  C     -12.542837      5.386824      6.467604
  C     -11.209273      5.089303      6.678032
  C     -10.487360      4.324470      5.722172
  H      -3.145814      0.721280      2.578542
  H      -4.614823      1.317276      3.358427
  H      -4.085062     -0.486529      5.230802
  H      -3.136444     -1.258511      3.956140
  H      -5.375438     -2.190513      3.830758
  H      -6.132791     -0.587699      4.010832
  H      -6.734228      1.219830      0.032139
  H      -4.299794     -1.962047     -2.242461
  H      -2.978375     -3.965909     -1.570600
  H      -2.781166     -4.578819      0.818896
  H      -3.882816     -3.217930      2.555360
  H      -4.585810      5.967134      5.692803
  H      -3.256652      6.598973      6.667617
  H      -2.311243      7.473595      4.328916
  H      -3.640903      8.331876      5.124351
  H      -4.004193      7.951444      2.635507
  H      -4.000747      6.217491      2.917602
  H      -7.772247      8.088146      6.077670
  H     -10.056860      6.197455      2.566192
  H      -9.406835      5.395686      0.295714
  H      -7.029469      5.517744     -0.444749
  H      -5.275535      6.351048      1.083111
  H      -6.508367      2.374039      7.741316
  H      -6.597969      2.429851      5.964599
  H      -6.302281      4.931823      7.705504
  H      -6.480770      4.866650      5.935310
  H      -8.618294      3.860574      7.917275
  H      -8.552721      5.480692      7.254543
  H      -8.703167      2.288439      3.066995
  H     -13.011117      3.828621      3.439137
  H     -14.253939      5.182989      5.146433
  H     -13.094580      5.980485      7.206754
  H     -10.711819      5.445946      7.581585
  N      -4.962637      3.665978      3.960305
  N      -5.919684      3.946371      3.249598
  H      -5.800480      3.772763      2.223332
98
Coordinates from ORCA-job orca E -6258.350599963127
  N      -2.818288      1.663213      4.452422
  Mo     -3.634378      3.289327      5.198598
  N      -4.716489      2.892140      6.766171
  C      -4.005553      2.680341      8.037376
  C      -2.618595      2.107952      7.776982
  N      -1.960651      2.855053      6.669858
  C      -0.944866      2.039733      5.944758
  C      -1.649810      1.031374      5.050632
  C      -1.377857      4.149149      7.117506
  C      -1.368044      5.084403      5.914274
  N      -2.716346      5.043525      5.331023
  H      -0.960506      0.684632      4.266190
  H      -1.943857      0.139799      5.622486
  H      -0.361636      2.732210      5.324248
  H      -0.256648      1.556569      6.656649
  H      -1.109925      6.106783      6.226376
  H      -0.613705      4.774629      5.175098
  H      -2.044251      4.566157      7.884657
  H      -0.382017      3.989364      7.561011
  H      -4.562026      1.964106      8.666618
  H      -3.953099      3.624832      8.609861
  H      -2.712813      1.065021      7.451901
  H      -1.995197      2.131851      8.684382
  C      -3.619593      0.783845      3.584205
  C      -3.928726     -0.611312      4.166527
  C      -5.253192     -1.177557      3.594916
  C      -5.376582     -0.959977      2.113841
  N      -6.095091      0.095955      1.727772
  C      -6.169735      0.350076      0.394884
  N      -5.599901     -0.322877     -0.576832
  C      -4.861832     -1.418170     -0.203699
  C      -4.227874     -2.193962     -1.196724
  C      -3.479996     -3.300717     -0.840131
  C      -3.340806     -3.677638      0.514633
  C      -3.948711     -2.941519      1.502715
  C      -4.719145     -1.795192      1.167691
  C      -3.535814      6.229673      5.629703
  C      -3.385049      7.368692      4.606511
  C      -4.264818      7.177879      3.376044
  C      -5.750336      7.243595      3.652929
  N      -6.150111      7.684238      4.835981
  C      -7.485491      7.680908      5.097410
  N      -8.450067      7.230380      4.328002
  C      -8.067812      6.782925      3.095628
  C      -9.050314      6.279961      2.213013
  C      -8.689260      5.853525      0.956943
  C      -7.336973      5.911011      0.533961
  C      -6.355552      6.371220      1.383407
  C      -6.698685      6.809472      2.682438
  C      -6.184204      2.920226      6.851234
  C      -6.756149      4.344012      6.881865
  C      -8.279978      4.424854      7.024423
  C      -9.090839      3.990654      5.821876
  N      -8.485399      3.292060      4.873605
  C      -9.227614      2.920784      3.791568
  N     -10.499862      3.168378      3.559089
  C     -11.151049      3.888226      4.522254
  C     -12.519878      4.208065      4.330817
  C     -13.199812      4.948398      5.283730
  C     -12.541917      5.389826      6.457814
  C     -11.205940      5.090275      6.667950
  C     -10.481535      4.334445      5.707678
  H      -3.119440      0.682969      2.600630
  H      -4.590052      1.279315      3.388140
  H      -4.041512     -0.540225      5.257707
  H      -3.094165     -1.301212      3.974824
  H      -5.339032     -2.250168      3.858187
  H      -6.104022     -0.650407      4.061228
  H      -6.775318      1.224760      0.114200
  H      -4.353626     -1.890286     -2.234759
  H      -2.995420     -3.899266     -1.606939
  H      -2.751599     -4.562090      0.773716
  H      -3.843267     -3.246228      2.542497
  H      -4.595723      5.944069      5.671926
  H      -3.273591      6.589963      6.641446
  H      -2.332330      7.448180      4.297272
  H      -3.650193      8.310060      5.104291
  H      -4.021177      7.946760      2.621510
  H      -4.034824      6.211672      2.894050
  H      -7.776712      8.087733      6.069321
  H     -10.084506      6.247531      2.556294
  H      -9.448381      5.466754      0.279488
  H      -7.073723      5.583657     -0.469142
  H      -5.310035      6.394314      1.055852
  H      -6.500669      2.352956      7.747703
  H      -6.593149      2.407787      5.969542
  H      -6.300675      4.908589      7.715868
  H      -6.463682      4.853369      5.945083
  H      -8.619333      3.837855      7.898459
  H      -8.546873      5.465627      7.257494
  H      -8.693405      2.344686      3.037314
  H     -13.007998      3.858514      3.417771
  H     -14.255388      5.196807      5.132746
  H     -13.095068      5.977126      7.199608
  H     -10.707705      5.438702      7.575150
  N      -4.945179      3.629151      3.950656
  N      -5.890914      3.880694      3.225894
  H      -5.753890      3.702092      2.213863
98
Coordinates from ORCA-job orca E -6258.350719130493
  N      -2.833947      1.660013      4.467113
  Mo     -3.633884      3.301980      5.200891
  N      -4.712229      2.917836      6.773013
  C      -4.003128      2.715596      8.041305
  C      -2.617287      2.133472      7.782029
  N      -1.957763      2.866591      6.667673
  C      -0.949417      2.033976      5.953622
  C      -1.661913      1.022234      5.077430
  C      -1.362106      4.159792      7.105202
  C      -1.365988      5.093625      5.906014
  N      -2.717577      5.060082      5.343947
  H      -0.967753      0.660426      4.290520
  H      -1.961312      0.133478      5.665662
  H      -0.357152      2.712218      5.325732
  H      -0.268945      1.549757      6.671532
  H      -1.097980      6.116130      6.213777
  H      -0.626491      4.775123      5.156543
  H      -2.014123      4.584505      7.880785
  H      -0.361659      3.994908      7.533651
  H      -4.565197      2.009605      8.677126
  H      -3.939886      3.666222      8.605059
  H      -2.721338      1.087406      7.465394
  H      -1.988119      2.159472      8.684475
  C      -3.650577      0.783583      3.614387
  C      -3.964217     -0.613941      4.186433
  C      -5.287624     -1.171187      3.594910
  C      -5.404778     -0.953618      2.109958
  N      -6.113628      0.100689      1.723859
  C      -6.183505      0.355258      0.390599
  N      -5.614331     -0.314477     -0.586448
  C      -4.886086     -1.407458     -0.217064
  C      -4.245918     -2.179634     -1.215678
  C      -3.497002     -3.285089     -0.861565
  C      -3.363389     -3.664330      0.495367
  C      -3.982505     -2.930311      1.488208
  C      -4.751018     -1.785856      1.156741
  C      -3.533512      6.245363      5.644860
  C      -3.380782      7.382549      4.618584
  C      -4.245403      7.183555      3.376081
  C      -5.725723      7.231379      3.646825
  N      -6.125087      7.655660      4.833292
  C      -7.455445      7.645996      5.091140
  N      -8.420841      7.202128      4.315170
  C      -8.039039      6.768060      3.079187
  C      -9.020139      6.269828      2.189879
  C      -8.659534      5.852207      0.929513
  C      -7.312164      5.921342      0.507566
  C      -6.332391      6.384433      1.362189
  C      -6.672441      6.805151      2.668091
  C      -6.180495      2.938196      6.855043
  C      -6.762007      4.358006      6.894174
  C      -8.289097      4.436482      7.028082
  C      -9.089151      4.004724      5.821606
  N      -8.471010      3.308758      4.867240
  C      -9.198553      2.922286      3.785990
  N     -10.470369      3.145536      3.560243
  C     -11.135693      3.866227      4.525789
  C     -12.503945      4.152226      4.342255
  C     -13.196591      4.877560      5.300349
  C     -12.552888      5.339729      6.473009
  C     -11.218624      5.073736      6.676008
  C     -10.479974      4.329592      5.710667
  H      -3.155060      0.679555      2.628194
  H      -4.608873      1.289559      3.430055
  H      -4.093609     -0.550378      5.279433
  H      -3.125395     -1.305723      3.994789
  H      -5.383572     -2.240809      3.848632
  H      -6.135463     -0.640823      4.058171
  H      -6.780921      1.225573      0.112247
  H      -4.365846     -1.875346     -2.255485
  H      -3.002762     -3.880998     -1.632867
  H      -2.770916     -4.547092      0.753230
  H      -3.880793     -3.235499      2.530395
  H      -4.596055      5.961175      5.693064
  H      -3.267569      6.609082      6.657554
  H      -2.325490      7.466854      4.318155
  H      -3.654960      8.321486      5.111102
  H      -4.008119      7.951564      2.619312
  H      -3.999595      6.226234      2.899330
  H      -7.745476      8.039814      6.067223
  H     -10.053188      6.234282      2.531386
  H      -9.417978      5.466405      0.247614
  H      -7.049410      5.602934     -0.498340
  H      -5.291984      6.420717      1.035044
  H      -6.495937      2.366217      7.747925
  H      -6.587231      2.429481      5.972139
  H      -6.316978      4.913953      7.734159
  H      -6.462345      4.875332      5.967910
  H      -8.634894      3.847654      7.900097
  H      -8.562139      5.479577      7.259163
  H      -8.653244      2.345471      3.026104
  H     -12.980241      3.783701      3.431460
  H     -14.250576      5.096147      5.156001
  H     -13.116137      5.911675      7.219039
  H     -10.730321      5.433432      7.582715
  N      -4.959340      3.647144      3.952221
  N      -5.888490      3.851236      3.192204
  H      -5.703206      3.630235      2.203232
98
Coordinates from ORCA-job orca E -6258.350528922194
  N      -2.829035      1.662157      4.476110
  Mo     -3.615299      3.319257      5.195022
  N      -4.701677      2.950664      6.764380
  C      -3.994380      2.753605      8.032320
  C      -2.613910      2.158926      7.782267
  N      -1.943451      2.878990      6.666113
  C      -0.944617      2.033247      5.961325
  C      -1.666423      1.027712      5.088186
  C      -1.337226      4.170524      7.100043
  C      -1.345967      5.105763      5.902874
  N      -2.700064      5.078667      5.351152
  H      -0.978694      0.666149      4.307251
  H      -1.970258      0.142660      5.667736
  H      -0.341948      2.701969      5.332576
  H      -0.272086      1.543394      6.683619
  H      -1.070268      6.128310      6.207706
  H      -0.615148      4.780953      5.147272
  H      -1.980320      4.598016      7.881438
  H      -0.334358      3.999861      7.521071
  H      -4.563374      2.060009      8.672520
  H      -3.920665      3.707739      8.585473
  H      -2.728451      1.111702      7.471408
  H      -1.985762      2.182960      8.685493
  C      -3.649322      0.788392      3.621928
  C      -3.973628     -0.599433      4.189749
  C      -5.291791     -1.141177      3.593134
  C      -5.407807     -0.945075      2.103653
  N      -6.123486      0.104660      1.701807
  C      -6.205098      0.340129      0.362945
  N      -5.641008     -0.343588     -0.608101
  C      -4.906980     -1.432385     -0.224531
  C      -4.279306     -2.218534     -1.216790
  C      -3.535339     -3.319406     -0.848388
  C      -3.388826     -3.680491      0.516866
  C      -3.992770     -2.932087      1.503665
  C      -4.760439     -1.791634      1.157550
  C      -3.512454      6.265264      5.659066
  C      -3.371038      7.401991      4.627468
  C      -4.240260      7.196917      3.385771
  C      -5.716371      7.239449      3.664702
  N      -6.107147      7.656913      4.858810
  C      -7.433661      7.643578      5.122708
  N      -8.404559      7.200746      4.347344
  C      -8.032740      6.772196      3.104531
  C      -9.020019      6.272180      2.216301
  C      -8.667467      5.853593      0.949561
  C      -7.325052      5.930442      0.518650
  C      -6.341314      6.401802      1.370366
  C      -6.670094      6.815111      2.685404
  C      -6.164921      2.939994      6.838858
  C      -6.773231      4.336407      6.908351
  C      -8.297951      4.387874      7.030708
  C      -9.086175      3.978246      5.812450
  N      -8.455855      3.299289      4.855060
  C      -9.172458      2.932975      3.762164
  N     -10.449153      3.172128      3.524500
  C     -11.127549      3.878831      4.491722
  C     -12.501486      4.178491      4.296070
  C     -13.204491      4.869535      5.259067
  C     -12.566900      5.286861      6.448832
  C     -11.228867      5.013424      6.662501
  C     -10.479188      4.303845      5.692143
  H      -3.146602      0.677720      2.637705
  H      -4.597871      1.299616      3.431366
  H      -4.111471     -0.531063      5.282614
  H      -3.143559     -1.298757      4.001476
  H      -5.402701     -2.198763      3.852913
  H      -6.124641     -0.597434      4.049482
  H      -6.812182      1.206484      0.072577
  H      -4.411145     -1.928509     -2.263786
  H      -3.055499     -3.925872     -1.615059
  H      -2.802324     -4.559397      0.785867
  H      -3.884242     -3.222468      2.552799
  H      -4.574681      5.978965      5.720561
  H      -3.234993      6.632553      6.669724
  H      -2.318936      7.491736      4.320620
  H      -3.646698      8.339609      5.121524
  H      -4.012951      7.960993      2.621939
  H      -3.991287      6.242030      2.911730
  H      -7.715478      8.030337      6.105797
  H     -10.050437      6.233312      2.563784
  H      -9.429630      5.463440      0.269590
  H      -7.069174      5.612837     -0.492978
  H      -5.307171      6.449232      1.035853
  H      -6.466954      2.348496      7.714359
  H      -6.562227      2.443207      5.947549
  H      -6.341974      4.872563      7.760569
  H      -6.481132      4.877059      6.004812
  H      -8.636526      3.778594      7.882744
  H      -8.587757      5.415854      7.281960
  H      -8.615024      2.361934      3.000759
  H     -12.971964      3.840781      3.372947
  H     -14.262159      5.095403      5.106144
  H     -13.137696      5.828333      7.199015
  H     -10.746170      5.339324      7.582332
  N      -4.946801      3.658080      3.947198
  N      -5.887934      3.847168      3.188431
  H      -5.707204      3.594529      2.188772
98
Coordinates from ORCA-job orca E -6258.351455408805
  N      -2.842611      1.673174      4.467058
  Mo     -3.629771      3.322342      5.209044
  N      -4.702618      2.936748      6.786935
  C      -3.984913      2.725772      8.049310
  C      -2.606670      2.135069      7.778973
  N      -1.949933      2.870875      6.663090
  C      -0.951186      2.034489      5.941836
  C      -1.673625      1.031561      5.058146
  C      -1.347506      4.161815      7.107710
  C      -1.353460      5.108044      5.914717
  N      -2.707663      5.077371      5.360000
  H      -0.992784      0.680223      4.263229
  H      -1.967282      0.136217      5.632213
  H      -0.353614      2.712201      5.317995
  H      -0.273929      1.538916      6.656738
  H      -1.082360      6.128805      6.228721
  H      -0.618769      4.795148      5.157370
  H      -1.995190      4.580489      7.890131
  H      -0.345150      3.992112      7.533642
  H      -4.543547      2.020895      8.686763
  H      -3.909063      3.674186      8.613939
  H      -2.721579      1.089622      7.458687
  H      -1.970763      2.152546      8.679207
  C      -3.663572      0.808251      3.608710
  C      -3.995378     -0.579639      4.176133
  C      -5.315019     -1.122964      3.583119
  C      -5.429491     -0.928376      2.089795
  N      -6.147559      0.120431      1.683269
  C      -6.208700      0.354201      0.341883
  N      -5.622280     -0.330619     -0.625257
  C      -4.890466     -1.418768     -0.235066
  C      -4.242645     -2.207304     -1.221907
  C      -3.512177     -3.307320     -0.847593
  C      -3.394522     -3.665540      0.519628
  C      -4.007794     -2.916635      1.502380
  C      -4.767632     -1.775761      1.149354
  C      -3.522882      6.263083      5.662778
  C      -3.377618      7.397941      4.634492
  C      -4.236144      7.190525      3.392447
  C      -5.722578      7.237168      3.652061
  N      -6.134238      7.672983      4.836491
  C      -7.470054      7.660240      5.083854
  N      -8.427353      7.203209      4.301256
  C      -8.033650      6.755523      3.068922
  C      -9.005343      6.237785      2.175329
  C      -8.629671      5.800376      0.919288
  C      -7.278365      5.872712      0.505404
  C      -6.311286      6.359302      1.362597
  C      -6.662104      6.793306      2.667154
  C      -6.166710      2.940248      6.872440
  C      -6.761938      4.351835      6.912931
  C      -8.287469      4.410685      7.049095
  C      -9.082202      3.975204      5.837545
  N      -8.461815      3.295639      4.886063
  C      -9.185271      2.920080      3.795185
  N     -10.459997      3.159468      3.554044
  C     -11.128662      3.861956      4.518844
  C     -12.501927      4.167316      4.320052
  C     -13.196171      4.869775      5.277872
  C     -12.549700      5.291148      6.465085
  C     -11.211488      5.010173      6.682125
  C     -10.472114      4.293575      5.716364
  H      -3.166344      0.704643      2.626451
  H      -4.613126      1.320043      3.415773
  H      -4.130733     -0.508651      5.269721
  H      -3.167011     -1.279311      3.991147
  H      -5.424153     -2.180598      3.851923
  H      -6.149600     -0.578304      4.035880
  H      -6.813893      1.220199      0.047609
  H      -4.353733     -1.918760     -2.270566
  H      -3.022823     -3.914852     -1.610497
  H      -2.822565     -4.544013      0.793137
  H      -3.920400     -3.206374      2.552758
  H      -4.581229      5.976700      5.715871
  H      -3.256259      6.630755      6.669211
  H      -2.324601      7.486853      4.335172
  H      -3.658128      8.338793      5.125177
  H      -3.993881      7.958185      2.637645
  H      -3.986720      6.226949      2.919238
  H      -7.770194      8.058206      6.058178
  H     -10.041799      6.199016      2.510440
  H      -9.378725      5.397852      0.235108
  H      -7.004615      5.539366     -0.498937
  H      -5.270870      6.402280      1.040515
  H      -6.473724      2.370325      7.767073
  H      -6.572241      2.424154      5.993440
  H      -6.314801      4.910611      7.752428
  H      -6.472735      4.871382      5.985024
  H      -8.621962      3.816337      7.921131
  H      -8.570851      5.449495      7.281924
  H      -8.635610      2.353236      3.036330
  H     -12.980239      3.830133      3.397637
  H     -14.254925      5.106762      5.121122
  H     -13.114024      5.847780      7.210676
  H     -10.722656      5.344691      7.599870
  N      -4.958644      3.670895      3.967503
  N      -5.893910      3.883100      3.215233
  H      -5.719085      3.670902      2.213676
98
Coordinates from ORCA-job orca E -6258.350387567086
  N      -2.841994      1.684266      4.451042
  Mo     -3.643435      3.312966      5.206292
  N      -4.722380      2.923398      6.777614
  C      -4.013675      2.701216      8.050113
  C      -2.636075      2.111796      7.783959
  N      -1.968129      2.854532      6.676289
  C      -0.964512      2.027390      5.950798
  C      -1.683669      1.028221      5.059186
  C      -1.373872      4.144432      7.124359
  C      -1.363932      5.087649      5.918083
  N      -2.716869      5.058862      5.345508
  H      -0.989058      0.667446      4.273294
  H      -1.996433      0.133762      5.638692
  H      -0.373392      2.715226      5.329282
  H      -0.281286      1.532848      6.662404
  H      -1.094830      6.108670      6.226415
  H      -0.615005      4.771319      5.172863
  H      -2.034115      4.561769      7.899309
  H      -0.374413      3.975548      7.566811
  H      -4.577160      1.990691      8.680432
  H      -3.942995      3.643128      8.625443
  H      -2.747344      1.068773      7.455645
  H      -2.007531      2.121712      8.693145
  C      -3.641621      0.811659      3.579772
  C      -3.967827     -0.568519      4.151276
  C      -5.285308     -1.111508      3.577715
  C      -5.406598     -0.906942      2.095128
  N      -6.113453      0.140492      1.705215
  C      -6.176141      0.385744      0.370226
  N      -5.611901     -0.288750     -0.602941
  C      -4.886661     -1.377776     -0.227329
  C      -4.244436     -2.157189     -1.220879
  C      -3.479601     -3.260375     -0.858357
  C      -3.335512     -3.627559      0.500606
  C      -3.957778     -2.886043      1.487943
  C      -4.744808     -1.744593      1.148076
  C      -3.523047      6.252511      5.636053
  C      -3.358924      7.371614      4.591867
  C      -4.230059      7.144388      3.361045
  C      -5.722717      7.214802      3.632285
  N      -6.128743      7.680531      4.811447
  C      -7.469729      7.688463      5.072952
  N      -8.431915      7.226357      4.308596
  C      -8.041573      6.746502      3.081192
  C      -9.020629      6.223470      2.206003
  C      -8.653754      5.760162      0.954041
  C      -7.301978      5.800387      0.527942
  C      -6.325221      6.286649      1.368770
  C      -6.669685      6.758218      2.666349
  C      -6.191975      2.948583      6.856000
  C      -6.770634      4.361854      6.900430
  C      -8.290760      4.427833      7.051038
  C      -9.093420      3.981617      5.852074
  N      -8.484224      3.283932      4.913958
  C      -9.213070      2.900086      3.829177
  N     -10.480848      3.146154      3.587333
  C     -11.137356      3.865386      4.542904
  C     -12.501752      4.182953      4.342423
  C     -13.186852      4.920389      5.288410
  C     -12.537712      5.361399      6.463964
  C     -11.206345      5.064357      6.682771
  C     -10.477270      4.314628      5.729205
  H      -3.126553      0.703072      2.606118
  H      -4.597822      1.314361      3.363507
  H      -4.088270     -0.496528      5.240894
  H      -3.149536     -1.267995      3.958449
  H      -5.383353     -2.169250      3.841184
  H      -6.118113     -0.575151      4.043353
  H      -6.759555      1.253406      0.090565
  H      -4.369080     -1.861047     -2.262037
  H      -2.981706     -3.863072     -1.624127
  H      -2.726397     -4.509008      0.763407
  H      -3.846778     -3.182541      2.531312
  H      -4.582489      5.973210      5.688848
  H      -3.254383      6.621159      6.641041
  H      -2.299948      7.442677      4.288555
  H      -3.625857      8.332571      5.065701
  H      -3.977123      7.891791      2.585649
  H      -3.998892      6.159993      2.905157
  H      -7.761547      8.111014      6.043698
  H     -10.057066      6.204564      2.550903
  H      -9.409277      5.355612      0.282418
  H      -7.036902      5.440340     -0.472239
  H      -5.285310      6.295289      1.041258
  H      -6.503437      2.381863      7.748831
  H      -6.603485      2.438936      5.977498
  H      -6.313620      4.915840      7.735689
  H      -6.488417      4.880493      5.975366
  H      -8.617441      3.840662      7.929297
  H      -8.568979      5.465857      7.283124
  H      -8.669304      2.319330      3.080014
  H     -12.982853      3.833573      3.428964
  H     -14.239342      5.170472      5.130662
  H     -13.095892      5.949332      7.199748
  H     -10.717070      5.414784      7.591161
  N      -4.958820      3.636735      3.974323
  N      -5.911952      3.861822      3.251357
  H      -5.784273      3.646962      2.232341
98
Coordinates from ORCA-job orca E -6258.350422001119
  N      -2.859598      1.688020      4.465891
  Mo     -3.661936      3.311892      5.230812
  N      -4.719920      2.921247      6.815021
  C      -3.997985      2.701889      8.078464
  C      -2.616257      2.123057      7.795080
  N      -1.969840      2.863438      6.674097
  C      -0.967038      2.037882      5.943670
  C      -1.686519      1.032676      5.064655
  C      -1.377551      4.156882      7.108966
  C      -1.389223      5.099151      5.907803
  N      -2.741107      5.060658      5.348987
  H      -0.993581      0.668868      4.264061
  H      -1.985443      0.134931      5.658098
  H      -0.383977      2.723445      5.315024
  H      -0.277427      1.549949      6.652267
  H      -1.128064      6.122447      6.218282
  H      -0.646763      4.790952      5.155210
  H      -2.024312      4.575142      7.889683
  H      -0.377163      3.991074      7.533252
  H      -4.549741      1.987747      8.712670
  H      -3.929842      3.642201      8.655722
  H      -2.720931      1.079540      7.471648
  H      -1.975231      2.141045      8.693287
  C      -3.652957      0.813950      3.592948
  C      -3.973411     -0.577519      4.165008
  C      -5.292075     -1.149391      3.570365
  C      -5.406475     -0.918414      2.096386
  N      -6.137365      0.137707      1.726098
  C      -6.209003      0.410688      0.400203
  N      -5.627603     -0.244622     -0.581972
  C      -4.874523     -1.342104     -0.227241
  C      -4.236225     -2.097513     -1.233561
  C      -3.489472     -3.204069     -0.896570
  C      -3.359532     -3.598078      0.449328
  C      -3.971767     -2.879986      1.449574
  C      -4.736763     -1.736391      1.136176
  C      -3.547535      6.249814      5.642395
  C      -3.387877      7.376320      4.608673
  C      -4.239608      7.158649      3.360327
  C      -5.727120      7.195479      3.611581
  N      -6.151336      7.646917      4.784244
  C      -7.488335      7.624468      5.028499
  N      -8.434402      7.143725      4.253453
  C      -8.027161      6.678397      3.031421
  C      -8.991645      6.139397      2.144316
  C      -8.608321      5.696269      0.896163
  C      -7.252358      5.769176      0.487270
  C      -6.287354      6.268931      1.341140
  C      -6.653649      6.725633      2.633610
  C      -6.184949      2.937691      6.908002
  C      -6.765597      4.350216      6.934233
  C      -8.284932      4.420784      7.082917
  C      -9.087709      3.981667      5.883647
  N      -8.478495      3.247027      4.962019
  C      -9.201093      2.870589      3.876456
  N     -10.464437      3.141650      3.620363
  C     -11.120865      3.890092      4.558247
  C     -12.476840      4.210754      4.345919
  C     -13.161076      4.964807      5.276138
  C     -12.520815      5.426033      6.446448
  C     -11.198403      5.129786      6.676406
  C     -10.467721      4.350581      5.741834
  H      -3.131237      0.703077      2.623077
  H      -4.608660      1.321137      3.375608
  H      -4.102817     -0.503866      5.255401
  H      -3.137275     -1.274657      3.984376
  H      -5.365850     -2.230781      3.810899
  H      -6.160658     -0.635300      4.038706
  H      -6.843516      1.289042      0.133630
  H      -4.360080     -1.779944     -2.264393
  H      -3.003054     -3.787993     -1.672933
  H      -2.772546     -4.481427      0.691870
  H      -3.877614     -3.196976      2.482078
  H      -4.610054      5.967785      5.691925
  H      -3.277306      6.612493      6.651144
  H      -2.329901      7.464574      4.322495
  H      -3.672893      8.318487      5.086013
  H      -3.998307      7.917915      2.597283
  H      -3.981289      6.198199      2.897080
  H      -7.795986      8.042944      5.993298
  H     -10.030055      6.095652      2.475954
  H      -9.354207      5.282991      0.213564
  H      -6.972428      5.425173     -0.509996
  H      -5.239838      6.303406      1.024869
  H      -6.486984      2.385822      7.812050
  H      -6.601857      2.410885      6.041305
  H      -6.307244      4.914813      7.763287
  H      -6.484102      4.857698      6.000308
  H      -8.613134      3.835717      7.957879
  H      -8.559008      5.456625      7.313473
  H      -8.657397      2.268445      3.143180
  H     -12.951125      3.842869      3.437558
  H     -14.204408      5.203959      5.112093
  H     -13.077584      6.019587      7.170328
  H     -10.715079      5.486622      7.582684
  N      -4.985510      3.628532      4.010626
  N      -5.935291      3.861705      3.283164
  H      -5.794237      3.640158      2.278648
98
Coordinates from ORCA-job orca E -6258.350543591300
  N      -2.856111      1.663856      4.482783
  Mo     -3.649094      3.309031      5.244661
  N      -4.689573      2.919206      6.836127
  C      -3.950613      2.707898      8.085740
  C      -2.569353      2.132535      7.791313
  N      -1.941217      2.868862      6.661755
  C      -0.948625      2.041618      5.922045
  C      -1.675378      1.035758      5.045884
  C      -1.344846      4.167021      7.088819
  C      -1.380504      5.112757      5.902460
  N      -2.735539      5.066910      5.363931
  H      -1.012554      0.696576      4.235800
  H      -1.944886      0.134611      5.615017
  H      -0.366467      2.724660      5.292923
  H      -0.256574      1.549741      6.623783
  H      -1.118716      6.136013      6.220134
  H      -0.653672      4.813552      5.136720
  H      -1.973018      4.582217      7.879699
  H      -0.340540      4.007008      7.490227
  H      -4.492785      1.997648      8.724939
  H      -3.875930      3.652263      8.654189
  H      -2.674769      1.087021      7.475283
  H      -1.919247      2.159706      8.677888
  C      -3.670927      0.802303      3.620034
  C      -4.008137     -0.588300      4.191501
  C      -5.333468     -1.139931      3.593075
  C      -5.455164     -0.906617      2.110334
  N      -6.159850      0.150561      1.732752
  C      -6.226834      0.420090      0.401443
  N      -5.648562     -0.238062     -0.580345
  C      -4.919880     -1.336214     -0.218243
  C      -4.267862     -2.098032     -1.220653
  C      -3.527153     -3.207824     -0.874350
  C      -3.418821     -3.600747      0.478183
  C      -4.048909     -2.876569      1.474714
  C      -4.801257     -1.728797      1.151670
  C      -3.550378      6.252005      5.670640
  C      -3.416910      7.390700      4.652443
  C      -4.266194      7.191776      3.393676
  C      -5.751420      7.204008      3.631655
  N      -6.186224      7.631979      4.802835
  C      -7.522425      7.582853      5.025387
  N      -8.460072      7.098524      4.230587
  C      -8.042775      6.661379      3.010848
  C      -8.996172      6.124492      2.102863
  C      -8.597132      5.706302      0.859272
  C      -7.236551      5.808602      0.475321
  C      -6.284281      6.310306      1.347782
  C      -6.666227      6.736187      2.636420
  C      -6.150153      2.919227      6.948343
  C      -6.744714      4.334286      6.948836
  C      -8.269680      4.398324      7.080669
  C      -9.064580      3.966734      5.865867
  N      -8.447055      3.241333      4.937860
  C      -9.164362      2.875532      3.841764
  N     -10.431660      3.143669      3.577240
  C     -11.096982      3.883881      4.517542
  C     -12.460415      4.203382      4.296425
  C     -13.153200      4.942278      5.229146
  C     -12.516490      5.390223      6.412886
  C     -11.188719      5.097093      6.651817
  C     -10.448374      4.333909      5.714006
  H      -3.166744      0.698014      2.642008
  H      -4.618540      1.324015      3.431043
  H      -4.140013     -0.518158      5.286239
  H      -3.179686     -1.290911      4.011049
  H      -5.426623     -2.216892      3.837212
  H      -6.186412     -0.615169      4.061467
  H      -6.832222      1.295630      0.129329
  H      -4.371185     -1.782598     -2.256766
  H      -3.022051     -3.796546     -1.648343
  H      -2.833743     -4.487209      0.730095
  H      -3.965264     -3.193211      2.513331
  H      -4.611334      5.962880      5.726726
  H      -3.273603      6.616007      6.678364
  H      -2.363906      7.497964      4.365884
  H      -3.716454      8.314171      5.152345
  H      -4.037175      7.971624      2.653423
  H      -3.989408      6.250375      2.907548
  H      -7.843681      7.984454      5.987503
  H     -10.037699      6.060477      2.415424
  H      -9.334614      5.295876      0.160848
  H      -6.942788      5.490939     -0.519192
  H      -5.233334      6.380601      1.046989
  H      -6.442977      2.381043      7.867369
  H      -6.566531      2.368546      6.092917
  H      -6.297372      4.917030      7.779006
  H      -6.452047      4.831102      6.000503
  H      -8.605743      3.806151      7.951577
  H      -8.547345      5.434499      7.312020
  H      -8.615164      2.291222      3.103630
  H     -12.931800      3.843761      3.378143
  H     -14.201952      5.178979      5.057410
  H     -13.079441      5.967810      7.139542
  H     -10.707495      5.442445      7.568893
  N      -4.984830      3.636892      4.008904
  N      -5.906072      3.858969      3.241848
  H      -5.719546      3.630514      2.254994
98
Coordinates from ORCA-job orca E -6258.351455257010
  N      -2.832106      1.661812      4.489387
  Mo     -3.637288      3.301093      5.239792
  N      -4.696725      2.920546      6.823205
  C      -3.976045      2.714206      8.081620
  C      -2.593200      2.133569      7.806878
  N      -1.945002      2.865780      6.686152
  C      -0.945210      2.035461      5.962839
  C      -1.667747      1.028268      5.087416
  C      -1.352359      4.164801      7.115462
  C      -1.370885      5.100322      5.917025
  N      -2.725636      5.059475      5.365869
  H      -0.991043      0.673747      4.299331
  H      -1.961833      0.139258      5.661428
  H      -0.355242      2.715312      5.334600
  H      -0.259599      1.543551      6.671403
  H      -1.103729      6.123790      6.223828
  H      -0.637363      4.785807      5.161086
  H      -1.997435      4.585471      7.897363
  H      -0.346597      4.009516      7.535886
  H      -4.531029      2.006897      8.718675
  H      -3.902938      3.662474      8.646081
  H      -2.702660      1.086442      7.494512
  H      -1.954689      2.160521      8.702307
  C      -3.645719      0.794500      3.624717
  C      -3.983287     -0.594916      4.188502
  C      -5.307460     -1.125480      3.593117
  C      -5.430088     -0.895208      2.104937
  N      -6.152545      0.163432      1.726028
  C      -6.226212      0.432898      0.390503
  N      -5.639632     -0.226016     -0.595819
  C      -4.902021     -1.323593     -0.234996
  C      -4.259318     -2.084022     -1.243965
  C      -3.524652     -3.191831     -0.899694
  C      -3.393621     -3.586387      0.458445
  C      -4.003673     -2.865047      1.462323
  C      -4.771196     -1.716820      1.140457
  C      -3.540712      6.250281      5.655843
  C      -3.390983      7.373331      4.614946
  C      -4.245473      7.151879      3.362146
  C      -5.733394      7.197711      3.608752
  N      -6.154723      7.644029      4.783038
  C      -7.490890      7.627107      5.017578
  N      -8.439610      7.157673      4.233285
  C      -8.034914      6.698116      3.011030
  C      -8.995832      6.165830      2.116757
  C      -8.609937      5.718204      0.871131
  C      -7.257963      5.790362      0.469691
  C      -6.298858      6.289920      1.328353
  C      -6.662517      6.739580      2.621344
  C      -6.163020      2.930115      6.916131
  C      -6.757622      4.345025      6.929012
  C      -8.284320      4.414093      7.064782
  C      -9.084784      3.979840      5.857607
  N      -8.475563      3.268457      4.917546
  C      -9.201223      2.888701      3.830976
  N     -10.467254      3.130354      3.588842
  C     -11.125710      3.865061      4.541261
  C     -12.492216      4.181300      4.339165
  C     -13.179031      4.926729      5.281359
  C     -12.531282      5.376035      6.457869
  C     -11.199746      5.080971      6.679161
  C     -10.467569      4.323964      5.728427
  H      -3.132938      0.690286      2.646863
  H      -4.589215      1.313849      3.423797
  H      -4.115537     -0.533749      5.283837
  H      -3.161540     -1.297983      3.996997
  H      -5.416725     -2.188025      3.840137
  H      -6.139891     -0.590918      4.062363
  H      -6.828149      1.304594      0.121220
  H      -4.379129     -1.767801     -2.285305
  H      -3.041222     -3.777480     -1.679566
  H      -2.818803     -4.469907      0.707773
  H      -3.907675     -3.182347      2.505526
  H      -4.602173      5.964413      5.712665
  H      -3.270812      6.629430      6.660962
  H      -2.332174      7.459944      4.319215
  H      -3.676538      8.319767      5.098115
  H      -4.000927      7.909703      2.598559
  H      -3.989367      6.184487      2.899314
  H      -7.800854      8.039811      5.981713
  H     -10.033445      6.127239      2.441653
  H      -9.352542      5.308106      0.184991
  H      -6.975928      5.448452     -0.525767
  H      -5.255499      6.332123      1.016145
  H      -6.466227      2.382027      7.826920
  H      -6.574931      2.395550      6.051458
  H      -6.312709      4.913670      7.760831
  H      -6.463443      4.850225      5.994807
  H      -8.618995      3.823738      7.937693
  H      -8.562893      5.453314      7.297425
  H      -8.659287      2.303514      3.080276
  H     -12.971466      3.821974      3.425587
  H     -14.232728      5.173816      5.121652
  H     -13.089945      5.964037      7.191527
  H     -10.711110      5.434040      7.589470
  N      -4.986114      3.615767      3.998829
  N      -5.923052      3.793583      3.240973
  H      -5.749870      3.555066      2.252257
98
Coordinates from ORCA-job orca E -6258.351884569847
  N      -2.833106      1.693340      4.483157
  Mo     -3.642142      3.311350      5.251451
  N      -4.704510      2.918678      6.836710
  C      -3.986912      2.698342      8.096096
  C      -2.605280      2.120513      7.816047
  N      -1.956503      2.867337      6.703951
  C      -0.952241      2.045533      5.975401
  C      -1.671837      1.041728      5.093122
  C      -1.370808      4.163001      7.147343
  C      -1.373210      5.099425      5.941209
  N      -2.725962      5.060977      5.376079
  H      -0.980372      0.678163      4.303128
  H      -1.977533      0.150809      5.676714
  H      -0.363757      2.730874      5.350833
  H      -0.266048      1.551547      6.683214
  H      -1.109298      6.121765      6.249469
  H      -0.627407      4.785409      5.191876
  H      -2.034903      4.580246      7.923144
  H      -0.366626      4.007580      7.588290
  H      -4.542567      1.981740      8.727325
  H      -3.913373      3.639989      8.674490
  H      -2.713890      1.075504      7.489973
  H      -1.966531      2.137512      8.716131
  C      -3.632020      0.828431      3.601864
  C      -3.968645     -0.563245      4.160274
  C      -5.295266     -1.093779      3.575226
  C      -5.425538     -0.860679      2.092487
  N      -6.138137      0.202337      1.722719
  C      -6.206947      0.475683      0.393073
  N      -5.638610     -0.183468     -0.595586
  C      -4.916414     -1.285961     -0.244106
  C      -4.281489     -2.049254     -1.255580
  C      -3.543385     -3.165083     -0.919212
  C      -3.408109     -3.562892      0.432305
  C      -4.012268     -2.838303      1.438148
  C      -4.778215     -1.683186      1.124903
  C      -3.546692      6.247768      5.647354
  C      -3.394756      7.357192      4.590814
  C      -4.225607      7.110073      3.343361
  C      -5.716634      7.154173      3.580104
  N      -6.148284      7.612463      4.748160
  C      -7.490310      7.598430      4.981431
  N      -8.435128      7.122910      4.198555
  C      -8.019241      6.650371      2.983257
  C      -8.976470      6.106487      2.094273
  C      -8.582091      5.640787      0.853583
  C      -7.226175      5.707516      0.451435
  C      -6.270779      6.218891      1.306101
  C      -6.640589      6.683972      2.596057
  C      -6.173954      2.939972      6.925647
  C      -6.761176      4.357668      6.925840
  C      -8.286617      4.431028      7.079095
  C      -9.092278      3.972086      5.887128
  N      -8.488512      3.239482      4.962465
  C      -9.215592      2.849755      3.881594
  N     -10.482334      3.119522      3.631590
  C     -11.136426      3.871879      4.573141
  C     -12.501081      4.209374      4.364933
  C     -13.179617      4.956827      5.300775
  C     -12.525004      5.393145      6.474367
  C     -11.195091      5.084167      6.699242
  C     -10.471935      4.322799      5.755763
  H      -3.104818      0.727636      2.633765
  H      -4.575912      1.339670      3.379614
  H      -4.093672     -0.502448      5.252653
  H      -3.146204     -1.267001      3.966068
  H      -5.400036     -2.156309      3.824341
  H      -6.125021     -0.559828      4.048108
  H      -6.802850      1.353067      0.131610
  H      -4.401090     -1.730230     -2.291025
  H      -3.058529     -3.754136     -1.700228
  H      -2.827208     -4.453166      0.675150
  H      -3.909886     -3.158264      2.476292
  H      -4.602510      5.955566      5.698153
  H      -3.289867      6.637156      6.647808
  H      -2.341381      7.451669      4.307636
  H      -3.692481      8.305138      5.046630
  H      -3.972445      7.859570      2.570025
  H      -3.963941      6.135611      2.903348
  H      -7.805324      8.014123      5.943643
  H     -10.018503      6.071884      2.419883
  H      -9.321337      5.220600      0.170960
  H      -6.938727      5.350088     -0.540965
  H      -5.228121      6.252758      0.994255
  H      -6.481665      2.404772      7.844617
  H      -6.591361      2.396753      6.068176
  H      -6.303810      4.936872      7.743121
  H      -6.475804      4.849338      5.981795
  H      -8.615600      3.855491      7.968994
  H      -8.563767      5.479258      7.293112
  H      -8.674459      2.237773      3.141995
  H     -12.985409      3.858911      3.454050
  H     -14.231603      5.218051      5.137273
  H     -13.076818      5.984674      7.203290
  H     -10.701514      5.431145      7.606733
  N      -4.989220      3.641577      4.022638
  N      -5.944723      3.831337      3.285633
  H      -5.786936      3.618806      2.276762
98
Coordinates from ORCA-job orca E -6258.351675856868
  N      -2.864277      1.687842      4.489668
  Mo     -3.660014      3.322306      5.241949
  N      -4.717068      2.950887      6.833743
  C      -3.991995      2.738049      8.092350
  C      -2.618929      2.145323      7.814311
  N      -1.967223      2.871609      6.690286
  C      -0.976068      2.032719      5.969849
  C      -1.709383      1.034766      5.092640
  C      -1.365593      4.165172      7.118142
  C      -1.381750      5.105830      5.915889
  N      -2.738781      5.073263      5.363943
  H      -1.027642      0.668865      4.305275
  H      -2.018583      0.145877      5.672991
  H      -0.380317      2.706488      5.341917
  H      -0.296676      1.536831      6.682243
  H      -1.111435      6.129357      6.219730
  H      -0.647187      4.789379      5.158287
  H      -2.005617      4.586055      7.903372
  H      -0.359507      4.000224      7.536539
  H      -4.546403      2.035815      8.733602
  H      -3.909794      3.682473      8.657336
  H      -2.737684      1.100504      7.501060
  H      -1.976727      2.164351      8.710525
  C      -3.660495      0.826729      3.606981
  C      -4.007375     -0.555745      4.164265
  C      -5.325625     -1.098856      3.558907
  C      -5.439787     -0.868922      2.079144
  N      -6.153730      0.186658      1.711131
  C      -6.221399      0.459971      0.381300
  N      -5.656373     -0.190469     -0.608127
  C      -4.921127     -1.287196     -0.256801
  C      -4.280752     -2.041787     -1.269356
  C      -3.524996     -3.151056     -0.933304
  C      -3.389516     -3.549651      0.418073
  C      -4.007678     -2.832284      1.423988
  C      -4.779870     -1.685437      1.111539
  C      -3.541046      6.269763      5.646515
  C      -3.371690      7.380298      4.596171
  C      -4.208971      7.128093      3.350586
  C      -5.702744      7.172718      3.586478
  N      -6.142840      7.643593      4.750191
  C      -7.485166      7.624547      4.977495
  N      -8.420505      7.132652      4.195956
  C      -7.996371      6.646046      2.985128
  C      -8.945790      6.088951      2.094088
  C      -8.541373      5.614331      0.858495
  C      -7.181207      5.681467      0.464611
  C      -6.233639      6.205351      1.320919
  C      -6.617207      6.684880      2.603219
  C      -6.179157      2.952623      6.931389
  C      -6.771056      4.357929      6.960715
  C      -8.291973      4.414901      7.113193
  C      -9.092714      3.962983      5.912551
  N      -8.484418      3.235300      4.990096
  C      -9.206037      2.849665      3.901023
  N     -10.469561      3.112069      3.640830
  C     -11.126399      3.852129      4.581172
  C     -12.485732      4.166772      4.366190
  C     -13.171472      4.919814      5.296525
  C     -12.529103      5.383916      6.471292
  C     -11.202952      5.087417      6.705333
  C     -10.471324      4.314737      5.768984
  H      -3.125681      0.713537      2.645515
  H      -4.598286      1.349011      3.378112
  H      -4.150032     -0.483207      5.253581
  H      -3.180355     -1.263810      3.987393
  H      -5.422048     -2.169582      3.798051
  H      -6.173561     -0.570729      4.025804
  H      -6.835944      1.334480      0.117794
  H      -4.404447     -1.721798     -2.304877
  H      -3.029235     -3.734153     -1.714990
  H      -2.790017     -4.435435      0.661029
  H      -3.905341     -3.152268      2.461416
  H      -4.603110      5.993280      5.701870
  H      -3.269576      6.648696      6.647300
  H      -2.308658      7.461982      4.309594
  H      -3.657187      8.338893      5.055273
  H      -3.949945      7.870393      2.573286
  H      -3.951635      6.148581      2.912801
  H      -7.807870      8.051797      5.935052
  H      -9.989005      6.051897      2.413428
  H      -9.273685      5.183194      0.174866
  H      -6.884398      5.314261     -0.523281
  H      -5.185237      6.241896      1.014707
  H      -6.470649      2.404337      7.839212
  H      -6.599799      2.419150      6.071196
  H      -6.313278      4.923070      7.788276
  H      -6.494855      4.865609      6.029608
  H      -8.613247      3.828218      7.992722
  H      -8.574647      5.451533      7.341509
  H      -8.662914      2.260222      3.162512
  H     -12.961767      3.798852      3.453576
  H     -14.218919      5.163530      5.128212
  H     -13.087924      5.984450      7.194516
  H     -10.719032      5.449802      7.615284
  N      -4.980767      3.618357      4.024569
  N      -5.928904      3.808794      3.291007
  H      -5.785004      3.562885      2.285186
98
Coordinates from ORCA-job orca E -6258.352011519371
  N      -2.865148      1.694665      4.484520
  Mo     -3.668142      3.315161      5.274604
  N      -4.701725      2.916077      6.869520
  C      -3.963413      2.689735      8.121066
  C      -2.583981      2.114919      7.815491
  N      -1.954014      2.864632      6.689999
  C      -0.959641      2.045044      5.938593
  C      -1.687758      1.044355      5.061347
  C      -1.363445      4.163663      7.118633
  C      -1.395200      5.106879      5.921863
  N      -2.752085      5.064288      5.382776
  H      -1.007996      0.690809      4.252002
  H      -1.975305      0.140146      5.644971
  H      -0.383897      2.738168      5.307756
  H      -0.259371      1.549755      6.633609
  H      -1.131651      6.131632      6.230182
  H      -0.662147      4.801539      5.160228
  H      -1.999191      4.576776      7.909299
  H      -0.356934      4.005852      7.526578
  H      -4.506428      1.970573      8.756808
  H      -3.887412      3.628232      8.703756
  H      -2.689849      1.070244      7.487189
  H      -1.931166      2.129479      8.705487
  C      -3.658095      0.837376      3.599495
  C      -4.005706     -0.546815      4.158839
  C      -5.328395     -1.077718      3.569079
  C      -5.451485     -0.834078      2.092499
  N      -6.167623      0.225745      1.727372
  C      -6.235728      0.507985      0.399388
  N      -5.657417     -0.141783     -0.590062
  C      -4.920237     -1.245069     -0.240671
  C      -4.278118     -1.997914     -1.252980
  C      -3.533631     -3.111625     -0.919238
  C      -3.404730     -3.516443      0.428850
  C      -4.020444     -2.800588      1.434508
  C      -4.788404     -1.649174      1.124312
  C      -3.558410      6.259583      5.665297
  C      -3.402272      7.367645      4.612712
  C      -4.244734      7.116938      3.351395
  C      -5.742304      7.141522      3.575653
  N      -6.193794      7.604837      4.732047
  C      -7.536669      7.564926      4.944329
  N      -8.462089      7.062518      4.153152
  C      -8.025473      6.585006      2.949013
  C      -8.963193      6.020200      2.048650
  C      -8.545516      5.556016      0.822894
  C      -7.182045      5.632615      0.450477
  C      -6.244658      6.162349      1.315682
  C      -6.645012      6.641786      2.585591
  C      -6.165881      2.925661      6.979974
  C      -6.756623      4.334717      6.979629
  C      -8.276225      4.396613      7.122504
  C      -9.075572      3.954626      5.920946
  N      -8.471491      3.209119      5.014306
  C      -9.188675      2.833313      3.923191
  N     -10.444994      3.115396      3.648782
  C     -11.098270      3.877269      4.571886
  C     -12.451354      4.219195      4.340325
  C     -13.134732      5.002258      5.251310
  C     -12.496833      5.467231      6.423481
  C     -11.177363      5.144704      6.673712
  C     -10.447779      4.340196      5.757626
  H      -3.126220      0.733326      2.634485
  H      -4.601809      1.357834      3.381447
  H      -4.130743     -0.485228      5.250988
  H      -3.193260     -1.254523      3.966285
  H      -5.424729     -2.148223      3.801440
  H      -6.167611     -0.554814      4.049411
  H      -6.832953      1.384911      0.140594
  H      -4.397746     -1.672677     -2.285820
  H      -3.044914     -3.693467     -1.700110
  H      -2.816515     -4.405372      0.668720
  H      -3.924975     -3.125573      2.469128
  H      -4.620364      5.978581      5.727268
  H      -3.279392      6.640303      6.665922
  H      -2.334672      7.457787      4.333127
  H      -3.701628      8.324028      5.080022
  H      -4.000284      7.866995      2.581342
  H      -3.966990      6.147341      2.898633
  H      -7.867611      7.990492      5.895988
  H     -10.006683      5.969178      2.352953
  H      -9.268851      5.120393      0.131258
  H      -6.874388      5.268172     -0.528367
  H      -5.191236      6.198815      1.028757
  H      -6.453198      2.396498      7.901231
  H      -6.590416      2.372687      6.132279
  H      -6.304084      4.913865      7.801914
  H      -6.475536      4.829489      6.038068
  H      -8.599574      3.809153      7.995159
  H      -8.557198      5.428389      7.354083
  H      -8.645002      2.228064      3.200097
  H     -12.924652      3.850010      3.430596
  H     -14.177200      5.264738      5.070694
  H     -13.053768      6.086192      7.131824
  H     -10.697244      5.505868      7.581932
  N      -5.021108      3.624499      4.062083
  N      -5.975519      3.828511      3.330531
  H      -5.838838      3.603607      2.327450
98
Coordinates from ORCA-job orca E -6258.351894418898
  N      -2.827404      1.670027      4.501740
  Mo     -3.652473      3.284271      5.279083
  N      -4.696006      2.894056      6.871907
  C      -3.965216      2.680429      8.124864
  C      -2.580365      2.113649      7.834589
  N      -1.947687      2.857987      6.712574
  C      -0.944574      2.043542      5.976324
  C      -1.664833      1.033904      5.100604
  C      -1.369891      4.162261      7.139554
  C      -1.394128      5.092428      5.932387
  N      -2.748571      5.039091      5.376918
  H      -0.988348      0.674774      4.310315
  H      -1.957439      0.147049      5.679086
  H      -0.368110      2.732685      5.346255
  H      -0.246162      1.556301      6.675762
  H      -1.136429      6.117362      6.236818
  H      -0.653559      4.784229      5.179374
  H      -2.021646      4.577826      7.920740
  H      -0.361545      4.020166      7.563758
  H      -4.510063      1.963269      8.760621
  H      -3.894857      3.623004      8.699178
  H      -2.681654      1.067772      7.516702
  H      -1.936028      2.141766      8.727900
  C      -3.620983      0.802944      3.615040
  C      -3.967000     -0.589176      4.176239
  C      -5.298844     -1.112113      3.588753
  C      -5.432941     -0.846361      2.110497
  N      -6.153138      0.221776      1.763650
  C      -6.233046      0.525556      0.437708
  N      -5.651809     -0.109594     -0.565258
  C      -4.916507     -1.217402     -0.235880
  C      -4.279608     -1.954178     -1.263813
  C      -3.541705     -3.073040     -0.951594
  C      -3.408634     -3.500864      0.392035
  C      -4.016313     -2.802331      1.413936
  C      -4.781537     -1.644597      1.125114
  C      -3.567857      6.230886      5.646791
  C      -3.424752      7.340060      4.591769
  C      -4.250078      7.102866      3.330902
  C      -5.739907      7.143434      3.548386
  N      -6.184709      7.614227      4.706345
  C      -7.528640      7.593531      4.922781
  N      -8.460037      7.100463      4.133843
  C      -8.030771      6.617127      2.926505
  C      -8.975522      6.057634      2.030520
  C      -8.567853      5.584953      0.799453
  C      -7.208450      5.657699      0.414634
  C      -6.264432      6.184150      1.275660
  C      -6.650528      6.659250      2.555527
  C      -6.166144      2.921425      6.977480
  C      -6.748386      4.346315      6.952381
  C      -8.276455      4.432064      7.103055
  C      -9.085152      3.983851      5.907971
  N      -8.486406      3.216855      4.998349
  C      -9.211790      2.828877      3.915844
  N     -10.470755      3.107652      3.655534
  C     -11.120163      3.891043      4.581807
  C     -12.477496      4.230516      4.363629
  C     -13.152003      5.001130      5.283751
  C     -12.501399      5.459863      6.451765
  C     -11.180326      5.155153      6.685624
  C     -10.459852      4.366219      5.759008
  H      -3.085532      0.699082      2.650059
  H      -4.564899      1.322235      3.389819
  H      -4.089284     -0.531453      5.271390
  H      -3.152056     -1.296588      3.980319
  H      -5.401080     -2.182916      3.817871
  H      -6.133230     -0.589913      4.076712
  H      -6.831616      1.405380      0.194872
  H      -4.400263     -1.611767     -2.292952
  H      -3.059382     -3.641237     -1.745703
  H      -2.832229     -4.392793      0.615557
  H      -3.917626     -3.145555      2.445465
  H      -4.625416      5.941043      5.705016
  H      -3.300784      6.622350      6.645087
  H      -2.374340      7.442888      4.318126
  H      -3.735116      8.277540      5.051014
  H      -4.001320      7.855220      2.565306
  H      -3.977694      6.136741      2.886839
  H      -7.858330      8.027639      5.874265
  H     -10.019298      6.017675      2.342979
  H      -9.299052      5.155865      0.110696
  H      -6.909777      5.296892     -0.571443
  H      -5.217061      6.229609      0.974525
  H      -6.467251      2.405600      7.911634
  H      -6.592831      2.363008      6.135113
  H      -6.289342      4.936462      7.764444
  H      -6.457109      4.824233      5.997839
  H      -8.609687      3.855398      7.989419
  H      -8.546277      5.479135      7.322295
  H      -8.672869      2.197114      3.188790
  H     -12.958398      3.857825      3.458294
  H     -14.196818      5.254056      5.114526
  H     -13.049101      6.058525      7.169974
  H     -10.690884      5.511918      7.591139
  N      -5.013031      3.585412      4.057004
  N      -5.965133      3.763866      3.323321
  H      -5.821750      3.542415      2.321235
98
Coordinates from ORCA-job orca E -6258.351997149818
  N      -2.856336      1.705601      4.511856
  Mo     -3.657272      3.325115      5.288129
  N      -4.698528      2.947195      6.892070
  C      -3.964811      2.732745      8.138658
  C      -2.589143      2.148852      7.841261
  N      -1.955794      2.882516      6.715034
  C      -0.963951      2.048705      5.987236
  C      -1.698668      1.050557      5.112884
  C      -1.358819      4.177910      7.142767
  C      -1.384649      5.115509      5.942570
  N      -2.741975      5.077043      5.397365
  H      -1.020639      0.688531      4.320241
  H      -2.003610      0.160442      5.692495
  H      -0.371213      2.723181      5.357937
  H      -0.281511      1.549295      6.693600
  H      -1.116192      6.138741      6.248432
  H      -0.653120      4.802010      5.181530
  H      -2.002434      4.597807      7.929500
  H      -0.348401      4.021490      7.560114
  H      -4.512142      2.023449      8.780810
  H      -3.878117      3.675955      8.708949
  H      -2.707710      1.103526      7.525830
  H      -1.935235      2.169354      8.727633
  C      -3.651488      0.854193      3.620914
  C      -4.010904     -0.538028      4.171023
  C      -5.342131     -1.058930      3.562552
  C      -5.467678     -0.801978      2.082732
  N      -6.174855      0.270032      1.731593
  C      -6.247447      0.567621      0.407300
  N      -5.684975     -0.072836     -0.594242
  C      -4.965947     -1.183466     -0.264310
  C      -4.334657     -1.927129     -1.291442
  C      -3.601653     -3.051698     -0.977363
  C      -3.472035     -3.476531      0.366430
  C      -4.075780     -2.769947      1.387678
  C      -4.829797     -1.607531      1.098138
  C      -3.553634      6.269562      5.658873
  C      -3.397935      7.368953      4.593375
  C      -4.198776      7.093621      3.329616
  C      -5.690619      7.105718      3.532971
  N      -6.158325      7.563331      4.685624
  C      -7.499316      7.518112      4.887150
  N      -8.413978      7.011026      4.089479
  C      -7.962286      6.534878      2.890402
  C      -8.886543      5.953375      1.989289
  C      -8.455081      5.482068      0.762961
  C      -7.093991      5.582153      0.388373
  C      -6.169320      6.132880      1.256680
  C      -6.578498      6.603032      2.533062
  C      -6.161407      2.946593      6.997720
  C      -6.766278      4.352697      6.978620
  C      -8.290296      4.410265      7.135403
  C      -9.095246      3.936316      5.946131
  N      -8.496570      3.186778      5.037041
  C      -9.216760      2.789397      3.955071
  N     -10.474278      3.052447      3.691513
  C     -11.126945      3.819236      4.616272
  C     -12.488226      4.167044      4.389356
  C     -13.169745      4.954954      5.301921
  C     -12.520050      5.411996      6.473129
  C     -11.192696      5.084703      6.718326
  C     -10.467357      4.292547      5.796488
  H      -3.106519      0.747498      2.662636
  H      -4.574978      1.382687      3.384122
  H      -4.150823     -0.476821      5.263743
  H      -3.188809     -1.252651      3.988918
  H      -5.452257     -2.130134      3.790817
  H      -6.178510     -0.528853      4.038657
  H      -6.862600      1.452491      0.159365
  H      -4.450286     -1.587499     -2.320612
  H      -3.115094     -3.626436     -1.770954
  H      -2.894745     -4.373083      0.592113
  H      -3.977555     -3.110462      2.419998
  H      -4.613762      5.982454      5.715777
  H      -3.289321      6.669998      6.654561
  H      -2.338136      7.476657      4.325976
  H      -3.716984      8.315048      5.035182
  H      -3.942825      7.838001      2.552151
  H      -3.908744      6.124864      2.906553
  H      -7.846102      7.937842      5.835429
  H      -9.934295      5.897042      2.292430
  H      -9.170248      5.034522      0.069409
  H      -6.776457      5.221750     -0.592777
  H      -5.121598      6.197180      0.963426
  H      -6.451220      2.429771      7.929203
  H      -6.584294      2.381030      6.157530
  H      -6.310485      4.947154      7.785360
  H      -6.491661      4.831349      6.027602
  H      -8.607640      3.837764      8.029702
  H      -8.576173      5.453512      7.343724
  H      -8.678964      2.178415      3.226151
  H     -12.968521      3.802831      3.480362
  H     -14.220464      5.234477      5.121715
  H     -13.074496      6.038657      7.182808
  H     -10.704443      5.450298      7.623498
  N      -5.020768      3.633255      4.072476
  N      -5.978112      3.806234      3.328315
  H      -5.793117      3.568792      2.335523
98
Coordinates from ORCA-job orca E -6258.351616978004
  N      -2.874825      1.702045      4.511872
  Mo     -3.676462      3.318929      5.293141
  N      -4.708509      2.937496      6.897522
  C      -3.970100      2.720334      8.147014
  C      -2.596913      2.137231      7.847148
  N      -1.964864      2.873335      6.717834
  C      -0.974887      2.042554      5.981542
  C      -1.711021      1.043958      5.110425
  C      -1.368883      4.171618      7.138482
  C      -1.399779      5.107759      5.932877
  N      -2.760578      5.070960      5.392502
  H      -1.026652      0.673612      4.315311
  H      -2.020146      0.151290      5.700791
  H      -0.390159      2.723004      5.348622
  H      -0.284468      1.547884      6.684295
  H      -1.129301      6.133157      6.230665
  H      -0.668146      4.790339      5.172076
  H      -2.005462      4.590297      7.929020
  H      -0.357466      4.015258      7.547665
  H      -4.514716      2.009739      8.789759
  H      -3.885963      3.661373      8.720301
  H      -2.712619      1.092336      7.528862
  H      -1.942335      2.155557      8.734741
  C      -3.658801      0.853367      3.614848
  C      -4.024808     -0.526249      4.156947
  C      -5.343697     -1.043432      3.546276
  C      -5.463783     -0.784833      2.072112
  N      -6.181819      0.279693      1.725649
  C      -6.250417      0.579128      0.402008
  N      -5.684720     -0.053517     -0.601591
  C      -4.950913     -1.159993     -0.273072
  C      -4.315286     -1.896854     -1.301355
  C      -3.569081     -3.014906     -0.988389
  C      -3.425265     -3.441458      0.354450
  C      -4.030243     -2.741887      1.375403
  C      -4.805071     -1.585731      1.086541
  C      -3.560808      6.273451      5.651290
  C      -3.384769      7.357691      4.575067
  C      -4.210837      7.059050      3.319974
  C      -5.717695      7.089751      3.526915
  N      -6.190746      7.570356      4.667829
  C      -7.539151      7.534005      4.859293
  N      -8.451580      7.021858      4.062117
  C      -7.991604      6.524321      2.876460
  C      -8.910497      5.942610      1.973574
  C      -8.466273      5.447425      0.768095
  C      -7.095976      5.514883      0.417068
  C      -6.177568      6.064848      1.284427
  C      -6.603033      6.571010      2.534856
  C      -6.171903      2.947150      7.016981
  C      -6.760455      4.356508      7.010518
  C      -8.281733      4.419127      7.162558
  C      -9.084403      3.952354      5.967557
  N      -8.484364      3.177721      5.070309
  C      -9.204273      2.787554      3.980435
  N     -10.464406      3.093333      3.697896
  C     -11.113508      3.873700      4.615631
  C     -12.466466      4.209161      4.383928
  C     -13.142438      4.978477      5.296401
  C     -12.497700      5.448200      6.468411
  C     -11.178035      5.135280      6.717737
  C     -10.454913      4.336434      5.801803
  H      -3.107699      0.742003      2.663795
  H      -4.584943      1.385212      3.379699
  H      -4.168146     -0.463992      5.245197
  H      -3.209022     -1.242466      3.972909
  H      -5.448098     -2.113758      3.761397
  H      -6.178218     -0.519160      4.027924
  H      -6.856376      1.458642      0.158504
  H      -4.443833     -1.556150     -2.330341
  H      -3.084469     -3.583651     -1.782452
  H      -2.831494     -4.333712      0.578572
  H      -3.922603     -3.082594      2.406227
  H      -4.624277      6.000118      5.714570
  H      -3.284731      6.675176      6.643417
  H      -2.304658      7.434931      4.294948
  H      -3.680817      8.338302      5.015242
  H      -3.940710      7.786466      2.530179
  H      -3.935613      6.065766      2.900760
  H      -7.888884      7.967434      5.798636
  H      -9.960961      5.900624      2.261101
  H      -9.173822      4.994698      0.076529
  H      -6.766250      5.125846     -0.544967
  H      -5.120214      6.095385      1.013790
  H      -6.452016      2.430641      7.948708
  H      -6.606938      2.384392      6.180688
  H      -6.303435      4.941686      7.824367
  H      -6.482488      4.841879      6.066688
  H      -8.605494      3.842432      8.049858
  H      -8.561428      5.461561      7.379494
  H      -8.662893      2.162100      3.260725
  H     -12.944486      3.835012      3.474768
  H     -14.184045      5.231499      5.116902
  H     -13.049791      6.062719      7.177900
  H     -10.692620      5.496840      7.627491
  N      -5.024169      3.606312      4.089991
  N      -5.979116      3.771562      3.353981
  H      -5.836730      3.515205      2.357021
98
Coordinates from ORCA-job orca E -6258.352088127395
  N      -2.859803      1.706216      4.508303
  Mo     -3.681999      3.309628      5.316903
  N      -4.702112      2.910885      6.924330
  C      -3.952349      2.682872      8.168053
  C      -2.574467      2.113643      7.852463
  N      -1.956069      2.868057      6.722309
  C      -0.961577      2.055609      5.964756
  C      -1.692758      1.055322      5.089140
  C      -1.374713      4.174322      7.144078
  C      -1.414209      5.110428      5.938708
  N      -2.772857      5.057943      5.400996
  H      -1.016609      0.694297      4.285951
  H      -1.984356      0.159589      5.671740
  H      -0.391454      2.752616      5.331485
  H      -0.254324      1.562909      6.655786
  H      -1.156970      6.138375      6.240213
  H      -0.678076      4.806252      5.176997
  H      -2.014408      4.585413      7.935775
  H      -0.362444      4.027544      7.551775
  H      -4.488332      1.959955      8.807331
  H      -3.875065      3.620780      8.752876
  H      -2.678013      1.067735      7.524212
  H      -1.915589      2.130851      8.738762
  C      -3.641190      0.858152      3.597855
  C      -4.008990     -0.526925      4.146365
  C      -5.342099     -1.037012      3.559949
  C      -5.478567     -0.759995      2.088478
  N      -6.195383      0.308547      1.753323
  C      -6.272026      0.622640      0.431041
  N      -5.700179     -0.002649     -0.578093
  C      -4.962363     -1.115107     -0.258990
  C      -4.322382     -1.845670     -1.293668
  C      -3.577669     -2.969153     -0.990916
  C      -3.448110     -3.407353      0.348099
  C      -4.058730     -2.713978      1.374987
  C      -4.823875     -1.552981      1.096004
  C      -3.585408      6.256071      5.658295
  C      -3.427947      7.343988      4.584410
  C      -4.227692      7.057009      3.318681
  C      -5.726043      7.073845      3.507630
  N      -6.206280      7.563940      4.645965
  C      -7.555180      7.512069      4.834731
  N      -8.456590      6.976514      4.035933
  C      -7.990706      6.473910      2.848363
  C      -8.903028      5.868150      1.943689
  C      -8.455239      5.369967      0.736878
  C      -7.085465      5.456864      0.386016
  C      -6.173774      6.029379      1.254540
  C      -6.603698      6.538462      2.508356
  C      -6.165559      2.923900      7.047842
  C      -6.757274      4.332172      7.027570
  C      -8.276901      4.392992      7.178403
  C      -9.076647      3.941362      5.983176
  N      -8.480382      3.161178      5.102992
  C      -9.193723      2.779515      4.012467
  N     -10.440201      3.085418      3.717843
  C     -11.086914      3.875588      4.619798
  C     -12.429936      4.224743      4.373701
  C     -13.106588      5.038767      5.261246
  C     -12.472618      5.533026      6.422784
  C     -11.162327      5.200520      6.687884
  C     -10.439373      4.355095      5.798072
  H      -3.085506      0.755701      2.646005
  H      -4.581272      1.387323      3.356508
  H      -4.131888     -0.473049      5.239079
  H      -3.202715     -1.241887      3.948219
  H      -5.443829     -2.110664      3.776888
  H      -6.174806     -0.519227      4.057987
  H      -6.859121      1.502665      0.198583
  H      -4.445031     -1.494918     -2.319286
  H      -3.091032     -3.533494     -1.789411
  H      -2.862727     -4.303951      0.563368
  H      -3.961332     -3.064465      2.402423
  H      -4.644006      5.973008      5.720063
  H      -3.313655      6.655385      6.651356
  H      -2.367715      7.450547      4.328416
  H      -3.752429      8.297848      5.016025
  H      -3.973635      7.791982      2.536574
  H      -3.931230      6.082813      2.901537
  H      -7.911227      7.955803      5.773654
  H      -9.950656      5.808138      2.232499
  H      -9.157569      4.900617      0.043792
  H      -6.752541      5.065147     -0.579602
  H      -5.115408      6.076787      0.982132
  H      -6.441252      2.415608      7.984727
  H      -6.600973      2.353246      6.218315
  H      -6.299368      4.922695      7.837454
  H      -6.483538      4.813313      6.077945
  H      -8.593783      3.809384      8.055966
  H      -8.561079      5.425394      7.403767
  H      -8.653812      2.154780      3.306827
  H     -12.901262      3.834864      3.471322
  H     -14.140873      5.303969      5.069793
  H     -13.024519      6.180948      7.112064
  H     -10.685528      5.580682      7.590026
  N      -5.044925      3.603632      4.126927
  N      -6.015601      3.779945      3.425694
  H      -5.923322      3.563839      2.401363
98
Coordinates from ORCA-job orca E -6258.352637944109
  N      -2.848806      1.691032      4.527913
  Mo     -3.673191      3.289930      5.328402
  N      -4.693674      2.903425      6.937231
  C      -3.946964      2.688384      8.179638
  C      -2.567564      2.121823      7.867117
  N      -1.952258      2.864645      6.735892
  C      -0.958001      2.048069      5.991519
  C      -1.688041      1.042999      5.120106
  C      -1.371064      4.169801      7.152910
  C      -1.412982      5.100527      5.948156
  N      -2.769982      5.043139      5.404475
  H      -1.016297      0.680567      4.323960
  H      -1.983689      0.153920      5.700767
  H      -0.385338      2.734813      5.357335
  H      -0.256876      1.557894      6.685250
  H      -1.155402      6.126529      6.250722
  H      -0.679280      4.795432      5.188432
  H      -2.010039      4.584949      7.941729
  H      -0.359278      4.029519      7.561058
  H      -4.480656      1.970938      8.821781
  H      -3.868495      3.628369      8.755211
  H      -2.673785      1.076802      7.549896
  H      -1.908904      2.148396      8.750060
  C      -3.627797      0.837955      3.619764
  C      -4.000053     -0.551613      4.167495
  C      -5.334794     -1.052420      3.566298
  C      -5.464942     -0.754557      2.096825
  N      -6.174414      0.323841      1.777783
  C      -6.252097      0.659365      0.461997
  N      -5.682110      0.047423     -0.556253
  C      -4.955010     -1.071293     -0.256462
  C      -4.328926     -1.784138     -1.302425
  C      -3.590070     -2.915629     -1.019267
  C      -3.456939     -3.376725      0.310930
  C      -4.064626     -2.699365      1.349785
  C      -4.821683     -1.531645      1.091911
  C      -3.583943      6.240921      5.652067
  C      -3.435643      7.327848      4.574887
  C      -4.230129      7.045679      3.298409
  C      -5.727097      7.063311      3.476384
  N      -6.214018      7.554614      4.609077
  C      -7.562213      7.512741      4.789437
  N      -8.460843      6.980383      3.989154
  C      -7.987398      6.470421      2.808511
  C      -8.893495      5.861380      1.906503
  C      -8.440659      5.356666      0.702872
  C      -7.073826      5.444857      0.352992
  C      -6.166515      6.022008      1.221040
  C      -6.598998      6.532055      2.473745
  C      -6.160623      2.926913      7.060573
  C      -6.747268      4.345743      7.008658
  C      -8.273796      4.427721      7.167325
  C      -9.086604      3.960018      5.982245
  N      -8.501570      3.161604      5.099613
  C      -9.224493      2.758193      4.021122
  N     -10.471214      3.043223      3.744182
  C     -11.110755      3.859217      4.643936
  C     -12.461450      4.228970      4.402469
  C     -13.128953      5.050821      5.292369
  C     -12.476056      5.520864      6.454382
  C     -11.161111      5.186793      6.710227
  C     -10.449341      4.358631      5.811996
  H      -3.068325      0.730361      2.668370
  H      -4.553635      1.370399      3.372637
  H      -4.128993     -0.497129      5.262006
  H      -3.196454     -1.270531      3.974784
  H      -5.445017     -2.127342      3.768608
  H      -6.166636     -0.535416      4.065377
  H      -6.870233      1.551236      0.239816
  H      -4.449134     -1.415834     -2.320693
  H      -3.109073     -3.467006     -1.826812
  H      -2.876660     -4.278256      0.511248
  H      -3.967088     -3.067732      2.370516
  H      -4.643362      5.954848      5.713998
  H      -3.315438      6.650874      6.643258
  H      -2.378413      7.441932      4.321813
  H      -3.771775      8.272147      5.008301
  H      -3.975418      7.783602      2.521523
  H      -3.929249      6.072999      2.881131
  H      -7.926485      7.964876      5.720033
  H      -9.944007      5.808739      2.192069
  H      -9.142189      4.888581      0.008815
  H      -6.739688      5.055687     -0.610811
  H      -5.114057      6.076912      0.947558
  H      -6.447058      2.436862      8.009243
  H      -6.599180      2.346322      6.239894
  H      -6.283285      4.953699      7.803978
  H      -6.465884      4.802973      6.043639
  H      -8.596865      3.860929      8.061533
  H      -8.546078      5.473518      7.375875
  H      -8.693058      2.101596      3.314473
  H     -12.943869      3.845631      3.503021
  H     -14.170462      5.334565      5.104256
  H     -13.017699      6.153703      7.150108
  H     -10.671994      5.557025      7.610424
  N      -5.056430      3.571174      4.129296
  N      -6.026920      3.741086      3.408048
  H      -5.882632      3.510890      2.414190
98
Coordinates from ORCA-job orca E -6258.353091736576
  N      -2.866749      1.713070      4.540866
  Mo     -3.677515      3.317310      5.341096
  N      -4.694061      2.938895      6.959612
  C      -3.943288      2.722160      8.197151
  C      -2.569503      2.145335      7.880099
  N      -1.954920      2.883443      6.745155
  C      -0.965957      2.055523      6.004412
  C      -1.706323      1.056920      5.135452
  C      -1.363518      4.185450      7.160522
  C      -1.406911      5.117988      5.954895
  N      -2.768373      5.071048      5.418707
  H      -1.032751      0.691784      4.340144
  H      -2.011160      0.167349      5.719357
  H      -0.383714      2.735320      5.369667
  H      -0.272595      1.558722      6.702582
  H      -1.141657      6.144088      6.253569
  H      -0.677261      4.806109      5.190992
  H      -2.000838      4.602860      7.953126
  H      -0.346570      4.038526      7.566338
  H      -4.480100      2.007977      8.843778
  H      -3.853564      3.663283      8.771242
  H      -2.686485      1.099749      7.564317
  H      -1.903421      2.167670      8.757899
  C      -3.648405      0.875006      3.630560
  C      -4.030687     -0.514581      4.168560
  C      -5.368446     -1.015360      3.554174
  C      -5.503355     -0.715130      2.083753
  N      -6.219203      0.368062      1.767462
  C      -6.301493      0.706122      0.452211
  N      -5.734807      0.095137     -0.570846
  C      -5.009662     -1.027160     -0.276441
  C      -4.380871     -1.741070     -1.328084
  C      -3.653259     -2.875194     -1.050637
  C      -3.514178     -3.341633      0.279732
  C      -4.103883     -2.665806      1.324476
  C      -4.864414     -1.493115      1.072125
  C      -3.577428      6.271349      5.654758
  C      -3.420721      7.345562      4.564635
  C      -4.197953      7.027197      3.292524
  C      -5.696045      7.018910      3.461832
  N      -6.201295      7.495206      4.588817
  C      -7.547584      7.428970      4.756190
  N      -8.431616      6.888894      3.947357
  C      -7.940825      6.394613      2.773904
  C      -8.832771      5.778197      1.863626
  C      -8.359722      5.279282      0.667200
  C      -6.986528      5.383165      0.332360
  C      -6.093933      5.971754      1.208501
  C      -6.548431      6.475433      2.453823
  C      -6.156981      2.946102      7.089323
  C      -6.757409      4.353530      7.042970
  C      -8.281834      4.415364      7.198889
  C      -9.086192      3.930141      6.012429
  N      -8.493476      3.127323      5.136104
  C      -9.208068      2.725260      4.051116
  N     -10.458698      3.028916      3.758112
  C     -11.105602      3.838368      4.654022
  C     -12.455890      4.195388      4.404668
  C     -13.130779      5.003725      5.292379
  C     -12.486419      5.484933      6.457898
  C     -11.170008      5.153559      6.723716
  C     -10.449484      4.325157      5.831215
  H      -3.083748      0.766587      2.685121
  H      -4.561907      1.417005      3.382672
  H      -4.171179     -0.460405      5.260677
  H      -3.217567     -1.239100      3.982785
  H      -5.479253     -2.095703      3.751293
  H      -6.203109     -0.496787      4.051234
  H      -6.884264      1.592683      0.237081
  H      -4.504314     -1.370141     -2.346793
  H      -3.178504     -3.425811     -1.863505
  H      -2.943947     -4.244713      0.475447
  H      -3.999410     -3.037794      2.346122
  H      -4.638263      5.987256      5.720824
  H      -3.307812      6.693276      6.640343
  H      -2.353235      7.461414      4.310222
  H      -3.759723      8.300770      4.982435
  H      -3.935535      7.757429      2.503759
  H      -3.884736      6.053741      2.893909
  H      -7.926262      7.863104      5.683820
  H      -9.888906      5.714915      2.137994
  H      -9.049050      4.802783     -0.032462
  H      -6.633776      4.995856     -0.624413
  H      -5.035904      6.037437      0.945850
  H      -6.431973      2.456824      8.040468
  H      -6.596259      2.357778      6.272645
  H      -6.300266      4.962880      7.838427
  H      -6.483249      4.814283      6.082945
  H      -8.600924      3.849843      8.098182
  H      -8.565411      5.461350      7.398781
  H      -8.671489      2.082631      3.345771
  H     -12.932486      3.811105      3.501012
  H     -14.171513      5.278804      5.097712
  H     -13.036598      6.129226      7.148030
  H     -10.686563      5.529766      7.627348
  N      -5.053891      3.599513      4.146004
  N      -6.016490      3.746433      3.411100
  H      -5.851674      3.492218      2.414419
98
Coordinates from ORCA-job orca E -6258.353134391537
  N      -2.864830      1.722859      4.549425
  Mo     -3.693428      3.308640      5.372490
  N      -4.698839      2.917668      6.994359
  C      -3.941957      2.695029      8.229924
  C      -2.566460      2.128952      7.903496
  N      -1.960811      2.879999      6.767386
  C      -0.967108      2.065148      6.013482
  C      -1.702979      1.065278      5.143146
  C      -1.382419      4.189656      7.180989
  C      -1.427400      5.116824      5.968199
  N      -2.787809      5.060310      5.430220
  H      -1.024035      0.695774      4.346312
  H      -2.007358      0.175746      5.730831
  H      -0.395661      2.757030      5.377122
  H      -0.262122      1.572793      6.705550
  H      -1.170292      6.146610      6.261410
  H      -0.690100      4.806082      5.207956
  H      -2.027079      4.603659      7.971744
  H      -0.364824      4.051084      7.590254
  H      -4.472355      1.970947      8.874060
  H      -3.860104      3.633159      8.813254
  H      -2.674213      1.082487      7.580308
  H      -1.897869      2.150414      8.781019
  C      -3.634916      0.892408      3.619111
  C      -4.031239     -0.491743      4.143307
  C      -5.368133     -0.961049      3.542459
  C      -5.508222     -0.641759      2.077796
  N      -6.215961      0.442401      1.778442
  C      -6.297072      0.797712      0.466762
  N      -5.745477      0.202719     -0.565801
  C      -5.020805     -0.923452     -0.286307
  C      -4.389061     -1.624868     -1.348142
  C      -3.657200     -2.763180     -1.085360
  C      -3.526447     -3.246106      0.239421
  C      -4.125293     -2.581668      1.292678
  C      -4.877599     -1.406413      1.055264
  C      -3.602758      6.263647      5.642377
  C      -3.428872      7.314999      4.532363
  C      -4.193766      6.958206      3.262942
  C      -5.700751      6.955895      3.413098
  N      -6.223321      7.461830      4.522392
  C      -7.575375      7.390989      4.671756
  N      -8.444891      6.823861      3.860951
  C      -7.934529      6.300460      2.705567
  C      -8.806699      5.652249      1.795771
  C      -8.311776      5.121502      0.623402
  C      -6.934799      5.219828      0.312142
  C      -6.061306      5.837082      1.186540
  C      -6.538877      6.378830      2.406291
  C      -6.161652      2.934982      7.133865
  C      -6.754763      4.343477      7.079010
  C      -8.276109      4.407541      7.238127
  C      -9.083830      3.924964      6.055802
  N      -8.503095      3.100387      5.197969
  C      -9.221488      2.702756      4.113098
  N     -10.464482      3.036742      3.804740
  C     -11.098061      3.863625      4.687330
  C     -12.437294      4.226527      4.431856
  C     -13.099822      5.059764      5.304331
  C     -12.454798      5.567106      6.458340
  C     -11.147349      5.221031      6.732223
  C     -10.438704      4.352553      5.859099
  H      -3.056926      0.789366      2.680997
  H      -4.552702      1.437755      3.362516
  H      -4.164458     -0.451234      5.234513
  H      -3.234981     -1.218011      3.940263
  H      -5.492248     -2.030920      3.729939
  H      -6.181237     -0.442690      4.055311
  H      -6.918723      1.693493      0.262084
  H      -4.508338     -1.240804     -2.362365
  H      -3.171282     -3.305589     -1.905510
  H      -2.945668     -4.154159      0.423606
  H      -4.022716     -2.966527      2.309635
  H      -4.662889      5.981474      5.702144
  H      -3.342993      6.699492      6.623916
  H      -2.354348      7.422971      4.288209
  H      -3.770486      8.289345      4.923953
  H      -3.919416      7.667481      2.458122
  H      -3.876124      5.966946      2.890785
  H      -7.967843      7.845666      5.586775
  H      -9.862176      5.585257      2.054004
  H      -8.983091      4.617775     -0.072781
  H      -6.563349      4.800288     -0.624609
  H      -4.996969      5.890097      0.945763
  H      -6.428279      2.457312      8.091820
  H      -6.609292      2.338935      6.327518
  H      -6.294016      4.956282      7.869322
  H      -6.484843      4.798661      6.116732
  H      -8.590948      3.841995      8.133918
  H      -8.558094      5.450392      7.441882
  H      -8.692594      2.046353      3.420730
  H     -12.916656      3.827080      3.535454
  H     -14.131558      5.335971      5.105842
  H     -12.996642      6.239499      7.134511
  H     -10.662586      5.610827      7.629510
  N      -5.082820      3.584746      4.196835
  N      -6.062766      3.720362      3.495020
  H      -5.958076      3.480737      2.483332
98
Coordinates from ORCA-job orca E -6258.353609674551
  N      -2.884829      1.717002      4.566100
  Mo     -3.712429      3.299298      5.392840
  N      -4.699810      2.916773      7.023150
  C      -3.929349      2.698426      8.251717
  C      -2.557221      2.132432      7.913509
  N      -1.965158      2.876386      6.767610
  C      -0.980485      2.059367      6.008644
  C      -1.722420      1.057873      5.146306
  C      -1.384980      4.188388      7.168109
  C      -1.450010      5.116158      5.960984
  N      -2.810670      5.051040      5.434407
  H      -1.053868      0.686303      4.341895
  H      -2.019754      0.167256      5.734672
  H      -0.416067      2.747708      5.366686
  H      -0.270848      1.570157      6.695861
  H      -1.196874      6.147344      6.255535
  H      -0.721590      4.812752      5.193386
  H      -2.010692      4.602522      7.966285
  H      -0.367549      4.051855      7.556422
  H      -4.449233      1.979384      8.902527
  H      -3.844091      3.636421      8.829963
  H      -2.665264      1.086369      7.595517
  H      -1.880805      2.157626      8.783886
  C      -3.647558      0.886636      3.626230
  C      -4.052987     -0.497212      4.147949
  C      -5.390229     -0.970735      3.530969
  C      -5.521338     -0.623395      2.077824
  N      -6.231510      0.465764      1.805389
  C      -6.300959      0.847994      0.505917
  N      -5.734633      0.275130     -0.538175
  C      -5.010895     -0.855722     -0.286214
  C      -4.398460     -1.529707     -1.361954
  C      -3.656383     -2.673468     -1.125927
  C      -3.506926     -3.186591      0.184425
  C      -4.104596     -2.546492      1.250375
  C      -4.868752     -1.367327      1.040482
  C      -3.623069      6.255695      5.645581
  C      -3.454645      7.304955      4.535603
  C      -4.201457      6.943509      3.252645
  C      -5.709656      6.931979      3.378824
  N      -6.253278      7.457444      4.471041
  C      -7.608567      7.381072      4.600618
  N      -8.460993      6.788880      3.786867
  C      -7.926999      6.241821      2.648994
  C      -8.775798      5.561220      1.740148
  C      -8.256280      5.007282      0.588048
  C      -6.877405      5.114292      0.296411
  C      -6.026123      5.763244      1.169670
  C      -6.528130      6.328006      2.369574
  C      -6.160784      2.939450      7.177313
  C      -6.748385      4.350482      7.110154
  C      -8.270244      4.421377      7.273283
  C      -9.079273      3.939903      6.092457
  N      -8.504707      3.101122      5.248739
  C      -9.218975      2.693164      4.166181
  N     -10.452041      3.017165      3.851387
  C     -11.081654      3.866086      4.717575
  C     -12.416755      4.253241      4.445113
  C     -13.076638      5.114539      5.299194
  C     -12.432037      5.612888      6.454427
  C     -11.130545      5.254253      6.741870
  C     -10.425975      4.374605      5.883237
  H      -3.060124      0.777148      2.694159
  H      -4.559207      1.439395      3.361975
  H      -4.191816     -0.451622      5.239953
  H      -3.257009     -1.228741      3.953015
  H      -5.503807     -2.053357      3.690549
  H      -6.222641     -0.467684      4.051917
  H      -6.899279      1.744683      0.324405
  H      -4.533502     -1.122234     -2.364914
  H      -3.190670     -3.194320     -1.955987
  H      -2.920176     -4.097935      0.346832
  H      -4.000576     -2.952631      2.254971
  H      -4.684139      5.975333      5.706195
  H      -3.359628      6.692011      6.626955
  H      -2.386152      7.428586      4.310474
  H      -3.817500      8.267938      4.921193
  H      -3.930534      7.652249      2.452477
  H      -3.866252      5.955494      2.885220
  H      -8.019550      7.856772      5.500840
  H      -9.832060      5.486513      1.983639
  H      -8.910032      4.478750     -0.107524
  H      -6.487767      4.677971     -0.624965
  H      -4.961876      5.826056      0.944199
  H      -6.419892      2.474876      8.141083
  H      -6.618322      2.335766      6.383722
  H      -6.281888      4.971701      7.893842
  H      -6.478650      4.794203      6.139372
  H      -8.584486      3.857800      8.169017
  H      -8.548185      5.463036      7.476326
  H      -8.691886      2.012123      3.487995
  H     -12.894696      3.851644      3.550723
  H     -14.105964      5.409678      5.087914
  H     -12.969279      6.282458      7.121432
  H     -10.648199      5.640838      7.639208
  N      -5.108046      3.554272      4.231046
  N      -6.096480      3.692589      3.536590
  H      -5.994873      3.445866      2.531540
98
Coordinates from ORCA-job orca E -6258.353501482644
  N      -2.859158      1.714499      4.573401
  Mo     -3.693041      3.290270      5.402437
  N      -4.686769      2.907377      7.031866
  C      -3.924682      2.689601      8.264778
  C      -2.549242      2.130303      7.927815
  N      -1.954074      2.878097      6.787650
  C      -0.963843      2.065050      6.033836
  C      -1.701087      1.061503      5.166484
  C      -1.378083      4.188894      7.193892
  C      -1.439180      5.116786      5.983892
  N      -2.798923      5.046267      5.442340
  H      -1.030918      0.695490      4.372067
  H      -2.005228      0.173829      5.750467
  H      -0.398547      2.754002      5.393853
  H      -0.255744      1.574744      6.720958
  H      -1.187333      6.145632      6.282455
  H      -0.703723      4.817211      5.222309
  H      -2.011606      4.599726      7.989524
  H      -0.358630      4.060666      7.591534
  H      -4.446859      1.964750      8.912163
  H      -3.839529      3.626723      8.847159
  H      -2.658512      1.085213      7.609318
  H      -1.875051      2.156169      8.800789
  C      -3.610981      0.882495      3.633796
  C      -4.017301     -0.504807      4.158167
  C      -5.365079     -0.973055      3.549482
  C      -5.519423     -0.616012      2.092726
  N      -6.233767      0.478029      1.820668
  C      -6.345464      0.870626      0.518431
  N      -5.792744      0.301299     -0.529094
  C      -5.052080     -0.833905     -0.279303
  C      -4.420104     -1.506508     -1.359199
  C      -3.681516     -2.652471     -1.127736
  C      -3.554692     -3.167327      0.181605
  C      -4.150113     -2.531527      1.253617
  C      -4.900133     -1.351785      1.050127
  C      -3.611853      6.250809      5.641023
  C      -3.466674      7.295653      4.522616
  C      -4.216804      6.942274      3.235159
  C      -5.718973      6.920135      3.362479
  N      -6.263239      7.430355      4.457985
  C      -7.615916      7.358389      4.589601
  N      -8.469444      6.783164      3.774415
  C      -7.936871      6.249224      2.633129
  C      -8.794114      5.586077      1.723931
  C      -8.278102      5.037047      0.565532
  C      -6.895172      5.132949      0.269819
  C      -6.036557      5.771301      1.143762
  C      -6.535630      6.330788      2.350557
  C      -6.151827      2.930375      7.176530
  C      -6.742030      4.340938      7.103533
  C      -8.268034      4.419464      7.262307
  C      -9.078979      3.936699      6.082152
  N      -8.507161      3.083268      5.241765
  C      -9.221135      2.670952      4.161183
  N     -10.453783      2.992679      3.849382
  C     -11.083139      3.855215      4.710633
  C     -12.418942      4.248663      4.436611
  C     -13.077589      5.115863      5.287963
  C     -12.429746      5.612608      6.441719
  C     -11.128398      5.256135      6.728404
  C     -10.424999      4.375195      5.871906
  H      -3.014833      0.770331      2.705361
  H      -4.512214      1.431930      3.360398
  H      -4.147805     -0.462442      5.251435
  H      -3.228244     -1.239092      3.959401
  H      -5.481225     -2.057919      3.710066
  H      -6.185813     -0.470038      4.077084
  H      -6.935821      1.766917      0.338623
  H      -4.541509     -1.096443     -2.361110
  H      -3.198291     -3.173070     -1.962032
  H      -2.984983     -4.077262      0.339353
  H      -4.050482     -2.941722      2.258145
  H      -4.670341      5.962709      5.714734
  H      -3.343653      6.702885      6.614453
  H      -2.404073      7.432228      4.292078
  H      -3.840520      8.246478      4.913004
  H      -3.954594      7.657909      2.439421
  H      -3.877441      5.964586      2.861013
  H      -8.026723      7.823400      5.490697
  H      -9.857537      5.523792      1.970702
  H      -8.940866      4.523472     -0.133379
  H      -6.508872      4.701578     -0.656416
  H      -4.972530      5.829710      0.911996
  H      -6.419970      2.467729      8.141501
  H      -6.606782      2.327849      6.380737
  H      -6.276805      4.959949      7.885081
  H      -6.468723      4.782411      6.136347
  H      -8.587242      3.860239      8.160817
  H      -8.542687      5.464601      7.460976
  H      -8.697057      1.985029      3.482649
  H     -12.897639      3.844930      3.544468
  H     -14.107643      5.415403      5.076296
  H     -12.965728      6.283122      7.107385
  H     -10.644933      5.643959      7.624100
  N      -5.086829      3.528986      4.228544
  N      -6.068061      3.648166      3.508954
  H      -5.918041      3.382222      2.522391
98
Coordinates from ORCA-job orca E -6258.354062720907
  N      -2.870772      1.725140      4.590628
  Mo     -3.704994      3.299051      5.433117
  N      -4.684767      2.916605      7.073866
  C      -3.911474      2.700134      8.295806
  C      -2.538400      2.139260      7.947191
  N      -1.955759      2.887000      6.800512
  C      -0.968435      2.071489      6.040911
  C      -1.711831      1.068786      5.179600
  C      -1.379296      4.200748      7.200044
  C      -1.447085      5.123376      5.986961
  N      -2.809004      5.053981      5.459950
  H      -1.044396      0.699436      4.382524
  H      -2.014546      0.182476      5.766357
  H      -0.403156      2.759514      5.397428
  H      -0.257387      1.579706      6.726348
  H      -1.194001      6.154348      6.278291
  H      -0.716115      4.818676      5.220954
  H      -2.014176      4.614287      7.997866
  H      -0.354052      4.073210      7.595154
  H      -4.429936      1.976766      8.949044
  H      -3.820624      3.639900      8.875237
  H      -2.649118      1.092022      7.630672
  H      -1.854708      2.167402      8.811528
  C      -3.629452      0.907522      3.644459
  C      -4.053317     -0.480626      4.159506
  C      -5.406477     -0.926878      3.543835
  C      -5.555431     -0.551566      2.090175
  N      -6.261251      0.549018      1.835645
  C      -6.344768      0.953129      0.538625
  N      -5.786341      0.393009     -0.519840
  C      -5.074265     -0.745664     -0.289149
  C      -4.462466     -1.407123     -1.381767
  C      -3.749266     -2.558690     -1.168628
  C      -3.599458     -3.095969      0.136134
  C      -4.175062     -2.471013      1.220113
  C      -4.931428     -1.280618      1.033439
  C      -3.623920      6.261268      5.635476
  C      -3.467850      7.288625      4.501557
  C      -4.189939      6.901632      3.216621
  C      -5.690298      6.857921      3.323317
  N      -6.256602      7.364193      4.408187
  C      -7.607023      7.264442      4.520497
  N      -8.437943      6.668278      3.695897
  C      -7.883613      6.140376      2.565194
  C      -8.717349      5.454060      1.648089
  C      -8.178086      4.906562      0.500499
  C      -6.794505      5.030768      0.222084
  C      -5.958832      5.692287      1.104505
  C      -6.482335      6.247722      2.301929
  C      -6.146732      2.936410      7.232687
  C      -6.747116      4.345084      7.140504
  C      -8.273549      4.414096      7.303907
  C      -9.082938      3.918506      6.125616
  N      -8.509923      3.057421      5.293711
  C      -9.220212      2.650861      4.208115
  N     -10.453091      2.991482      3.880976
  C     -11.084772      3.852719      4.737272
  C     -12.419388      4.236769      4.456723
  C     -13.080377      5.098354      5.303104
  C     -12.436861      5.611741      6.455612
  C     -11.134996      5.254254      6.751429
  C     -10.428700      4.363987      5.904046
  H      -3.031204      0.800068      2.718674
  H      -4.527555      1.465970      3.370833
  H      -4.188476     -0.445258      5.253397
  H      -3.266389     -1.221774      3.956689
  H      -5.536343     -2.008953      3.691027
  H      -6.221664     -0.421381      4.077768
  H      -6.952463      1.855939      0.371926
  H      -4.586001     -0.982936     -2.379624
  H      -3.284846     -3.069849     -2.013241
  H      -3.027081     -4.014332      0.280937
  H      -4.061997     -2.897447      2.221793
  H      -4.682969      5.976357      5.708628
  H      -3.360266      6.729060      6.600578
  H      -2.398484      7.429035      4.279369
  H      -3.850623      8.248006      4.868565
  H      -3.919961      7.608584      2.410262
  H      -3.834207      5.925854      2.867877
  H      -8.037054      7.721433      5.415099
  H      -9.782356      5.372394      1.881379
  H      -8.822233      4.375276     -0.204151
  H      -6.387619      4.600300     -0.696131
  H      -4.892073      5.773239      0.884908
  H      -6.404279      2.490492      8.211348
  H      -6.604652      2.314724      6.451993
  H      -6.283676      4.980153      7.913077
  H      -6.479363      4.775350      6.162865
  H      -8.588266      3.857753      8.209788
  H      -8.554371      5.462261      7.494857
  H      -8.693549      1.973625      3.533454
  H     -12.895798      3.828874      3.562906
  H     -14.109509      5.391667      5.085349
  H     -12.976791      6.302436      7.112133
  H     -10.654132      5.652733      7.647052
  N      -5.123769      3.548534      4.265967
  N      -6.102969      3.651576      3.553284
  H      -5.961829      3.391187      2.552912
98
Coordinates from ORCA-job orca E -6258.354292002568
  N      -2.883664      1.737404      4.600505
  Mo     -3.726557      3.299975      5.448854
  N      -4.697220      2.916858      7.093970
  C      -3.918316      2.706214      8.313825
  C      -2.547130      2.146923      7.963809
  N      -1.970762      2.892480      6.810637
  C      -0.984250      2.079354      6.050763
  C      -1.727073      1.076843      5.193698
  C      -1.397941      4.210048      7.203379
  C      -1.475238      5.130391      5.989107
  N      -2.836368      5.055056      5.466876
  H      -1.054349      0.696535      4.396994
  H      -2.033585      0.194318      5.786622
  H      -0.424154      2.767554      5.403269
  H      -0.270156      1.594284      6.737135
  H      -1.227403      6.164885      6.277033
  H      -0.744615      4.826467      5.220393
  H      -2.026312      4.623158      8.004927
  H      -0.373241      4.084393      7.588787
  H      -4.429970      1.986003      8.972403
  H      -3.831577      3.646059      8.889458
  H      -2.653943      1.099585      7.648668
  H      -1.861332      2.177122      8.826180
  C      -3.626239      0.922020      3.634582
  C      -4.057488     -0.463559      4.132169
  C      -5.403206     -0.904247      3.509526
  C      -5.552087     -0.516547      2.065551
  N      -6.267844      0.581106      1.827788
  C      -6.364309      0.999305      0.537662
  N      -5.818460      0.457546     -0.527878
  C      -5.087938     -0.680448     -0.313049
  C      -4.475444     -1.325277     -1.414362
  C      -3.729671     -2.477210     -1.217254
  C      -3.583438     -3.027343      0.078103
  C      -4.173531     -2.416208      1.168903
  C      -4.926053     -1.230975      0.999309
  C      -3.650285      6.262559      5.633001
  C      -3.472717      7.273042      4.487324
  C      -4.178929      6.844220      3.206624
  C      -5.690512      6.807882      3.294719
  N      -6.274834      7.348691      4.357499
  C      -7.631452      7.251523      4.446796
  N      -8.450776      6.628917      3.619792
  C      -7.874448      6.062351      2.514481
  C      -8.682709      5.338624      1.601392
  C      -8.117946      4.755294      0.487466
  C      -6.734270      4.877671      0.236835
  C      -5.921551      5.570217      1.114253
  C      -6.469534      6.163707      2.277495
  C      -6.156184      2.940507      7.263198
  C      -6.750169      4.349087      7.176830
  C      -8.271834      4.416105      7.346884
  C      -9.080921      3.923933      6.169643
  N      -8.517769      3.052589      5.348799
  C      -9.227298      2.645396      4.262803
  N     -10.449769      3.003149      3.924410
  C     -11.070466      3.877492      4.771536
  C     -12.395350      4.281785      4.480725
  C     -13.047214      5.161841      5.316528
  C     -12.403941      5.669003      6.469863
  C     -11.110804      5.288413      6.776313
  C     -10.414854      4.383113      5.938391
  H      -3.009532      0.810366      2.721164
  H      -4.523288      1.484401      3.347873
  H      -4.199923     -0.432357      5.222988
  H      -3.270710     -1.205582      3.926420
  H      -5.528055     -1.986667      3.637511
  H      -6.221488     -0.408580      4.051662
  H      -6.970023      1.898967      0.384572
  H      -4.614843     -0.889292     -2.405548
  H      -3.262603     -2.975761     -2.067897
  H      -3.010256     -3.942173      0.208769
  H      -4.067726     -2.850506      2.162270
  H      -4.711836      5.982923      5.699201
  H      -3.391023      6.737458      6.597863
  H      -2.396200      7.408355      4.277758
  H      -3.858432      8.247191      4.828893
  H      -3.892136      7.526840      2.384329
  H      -3.820199      5.847624      2.887809
  H      -8.076918      7.736754      5.324784
  H      -9.742875      5.250580      1.814597
  H      -8.739492      4.191797     -0.209502
  H      -6.306974      4.415782     -0.653492
  H      -4.851942      5.643270      0.920842
  H      -6.403129      2.498617      8.242654
  H      -6.622617      2.317717      6.489260
  H      -6.283025      4.984179      7.947965
  H      -6.487876      4.779003      6.198956
  H      -8.582713      3.856584      8.248500
  H      -8.551562      5.460723      7.543928
  H      -8.706285      1.944382      3.599400
  H     -12.872486      3.876674      3.586886
  H     -14.069119      5.471014      5.090839
  H     -12.936368      6.366032      7.120366
  H     -10.630131      5.681155      7.673137
  N      -5.144999      3.538190      4.306409
  N      -6.143322      3.635385      3.622355
  H      -6.047273      3.370386      2.618182
98
Coordinates from ORCA-job orca E -6258.354118330891
  N      -2.878408      1.709537      4.586553
  Mo     -3.713954      3.286025      5.420085
  N      -4.690558      2.903380      7.059091
  C      -3.919745      2.698440      8.288770
  C      -2.549137      2.136326      7.946817
  N      -1.961949      2.877772      6.796848
  C      -0.980410      2.059650      6.037893
  C      -1.724424      1.053558      5.184022
  C      -1.380373      4.190646      7.187081
  C      -1.461527      5.115704      5.974461
  N      -2.826257      5.044382      5.452027
  H      -1.051804      0.669681      4.393996
  H      -2.037280      0.172412      5.780611
  H      -0.422976      2.745889      5.386617
  H      -0.263893      1.575824      6.722047
  H      -1.205069      6.146935      6.263876
  H      -0.734188      4.813411      5.205738
  H      -1.994278      4.602743      7.994801
  H      -0.354556      4.063003      7.562108
  H      -4.435465      1.981151      8.948609
  H      -3.831141      3.640592      8.862268
  H      -2.658656      1.089450      7.633360
  H      -1.869209      2.166113      8.815341
  C      -3.614582      0.880536      3.638488
  C      -4.044809     -0.491946      4.154810
  C      -5.385319     -0.940318      3.534337
  C      -5.532656     -0.579946      2.080967
  N      -6.257275      0.502962      1.813225
  C      -6.353146      0.889890      0.509640
  N      -5.791450      0.328127     -0.541451
  C      -5.046341     -0.796087     -0.294549
  C      -4.423922     -1.458793     -1.378096
  C      -3.675465     -2.595683     -1.148691
  C      -3.519254     -3.112446      0.161787
  C      -4.113827     -2.483522      1.236076
  C      -4.889226     -1.311599      1.033721
  C      -3.625381      6.259162      5.633596
  C      -3.479695      7.280481      4.495878
  C      -4.216667      6.898472      3.217111
  C      -5.724313      6.876078      3.334890
  N      -6.276004      7.390105      4.425080
  C      -7.634378      7.322797      4.540989
  N      -8.487036      6.757560      3.711661
  C      -7.944428      6.218880      2.577697
  C      -8.795959      5.563650      1.656264
  C      -8.268846      5.008714      0.511155
  C      -6.880717      5.088677      0.240304
  C      -6.026744      5.717812      1.124130
  C      -6.537335      6.286116      2.316528
  C      -6.153307      2.923065      7.220272
  C      -6.747128      4.330538      7.161505
  C      -8.269693      4.395780      7.323468
  C      -9.069716      3.924001      6.133442
  N      -8.493850      3.073844      5.300095
  C      -9.193811      2.677292      4.205141
  N     -10.418069      3.021041      3.871672
  C     -11.050815      3.876719      4.729232
  C     -12.377457      4.276233      4.440263
  C     -13.041746      5.145746      5.285010
  C     -12.408498      5.643014      6.445916
  C     -11.114632      5.272424      6.749550
  C     -10.405840      4.379428      5.902774
  H      -3.001253      0.754239      2.725595
  H      -4.509949      1.432396      3.349515
  H      -4.184678     -0.444109      5.245445
  H      -3.268102     -1.238466      3.957822
  H      -5.506376     -2.018889      3.672374
  H      -6.197894     -0.439918      4.068029
  H      -6.966279      1.780081      0.329869
  H      -4.562934     -1.048656     -2.381173
  H      -3.202897     -3.108140     -1.985371
  H      -2.919667     -4.018830      0.318500
  H      -3.997020     -2.892660      2.241367
  H      -4.683666      5.983262      5.727471
  H      -3.337020      6.729520      6.591245
  H      -2.416765      7.422231      4.273068
  H      -3.862654      8.238004      4.863238
  H      -3.944836      7.602018      2.413233
  H      -3.875194      5.910720      2.860103
  H      -8.048874      7.786337      5.442251
  H      -9.859851      5.505002      1.886814
  H      -8.924836      4.497596     -0.194172
  H      -6.484431      4.647983     -0.673980
  H      -4.958602      5.763877      0.912120
  H      -6.405036      2.462314      8.188780
  H      -6.615257      2.315739      6.431776
  H      -6.283569      4.947056      7.948328
  H      -6.481898      4.781076      6.196822
  H      -8.586587      3.823142      8.212071
  H      -8.549971      5.435049      7.536871
  H      -8.660711      1.998795      3.531465
  H     -12.846219      3.876550      3.541591
  H     -14.064719      5.448471      5.062356
  H     -12.950564      6.319489      7.105587
  H     -10.642539      5.656780      7.652181
  N      -5.102164      3.501702      4.255444
  N      -6.077579      3.589905      3.532415
  H      -5.939590      3.297516      2.547683
98
Coordinates from ORCA-job orca E -6258.354246489835
  N      -2.854688      1.730907      4.588550
  Mo     -3.704946      3.290757      5.443007
  N      -4.685140      2.899304      7.083200
  C      -3.915297      2.686389      8.309561
  C      -2.542056      2.130661      7.960289
  N      -1.959966      2.885143      6.816177
  C      -0.970445      2.078304      6.053309
  C      -1.706747      1.073790      5.188128
  C      -1.388255      4.199710      7.217797
  C      -1.463652      5.124990      6.005087
  N      -2.824218      5.046165      5.477523
  H      -1.033504      0.699595      4.399116
  H      -2.017050      0.190192      5.773649
  H      -0.411401      2.770944      5.408783
  H      -0.254459      1.589643      6.735614
  H      -1.214929      6.156657      6.300175
  H      -0.729984      4.828855      5.237576
  H      -2.017164      4.608143      8.021550
  H      -0.361862      4.078669      7.605558
  H      -4.430937      1.961787      8.965227
  H      -3.826105      3.627249      8.890259
  H      -2.648967      1.083648      7.639385
  H      -1.860883      2.157666      8.828587
  C      -3.584856      0.906624      3.623881
  C      -4.013851     -0.485672      4.139021
  C      -5.375692     -0.940389      3.528841
  C      -5.541303     -0.560856      2.077246
  N      -6.253470      0.533211      1.824029
  C      -6.354958      0.935505      0.526297
  N      -5.801763      0.378903     -0.531870
  C      -5.071426     -0.754972     -0.301871
  C      -4.454388     -1.413422     -1.394886
  C      -3.724851     -2.561220     -1.183385
  C      -3.574878     -3.093473      0.119528
  C      -4.155923     -2.470237      1.204398
  C      -4.919489     -1.286117      1.020000
  C      -3.632137      6.257937      5.643345
  C      -3.483666      7.272910      4.497497
  C      -4.212809      6.882262      3.205558
  C      -5.720263      6.855308      3.300765
  N      -6.293693      7.375580      4.380378
  C      -7.648675      7.295827      4.478993
  N      -8.477330      6.709181      3.646892
  C      -7.913902      6.160917      2.524041
  C      -8.743569      5.475894      1.604381
  C      -8.195934      4.906681      0.466607
  C      -6.808209      5.004476      0.202970
  C      -5.976819      5.664976      1.087785
  C      -6.508321      6.245325      2.274699
  C      -6.148076      2.919459      7.236077
  C      -6.746518      4.325929      7.167045
  C      -8.273241      4.396330      7.334977
  C      -9.087843      3.931153      6.151103
  N      -8.524939      3.065604      5.321084
  C      -9.237685      2.670432      4.232127
  N     -10.463198      3.020052      3.903573
  C     -11.086743      3.889893      4.758506
  C     -12.415672      4.292301      4.474827
  C     -13.068691      5.163381      5.320990
  C     -12.420897      5.664937      6.475356
  C     -11.124738      5.299629      6.771006
  C     -10.427128      4.400590      5.924479
  H      -2.959799      0.792481      2.713402
  H      -4.479441      1.454874      3.318296
  H      -4.140475     -0.448672      5.233156
  H      -3.232607     -1.231462      3.934842
  H      -5.492433     -2.032709      3.667852
  H      -6.195171     -0.444945      4.071077
  H      -6.957934      1.831478      0.359490
  H      -4.581439     -0.991436     -2.390930
  H      -3.252999     -3.071302     -2.028015
  H      -2.987442     -4.009097      0.262616
  H      -4.038946     -2.893509      2.204119
  H      -4.690971      5.979575      5.732070
  H      -3.353183      6.738590      6.598600
  H      -2.412456      7.413908      4.281031
  H      -3.874724      8.237404      4.861611
  H      -3.937270      7.582240      2.398319
  H      -3.861006      5.894539      2.858228
  H      -8.082540      7.762835      5.370137
  H      -9.811445      5.409663      1.828316
  H      -8.836672      4.375659     -0.240323
  H      -6.395705      4.553170     -0.706121
  H      -4.908552      5.724662      0.880720
  H      -6.405556      2.462602      8.205454
  H      -6.607990      2.310790      6.449323
  H      -6.277908      4.942908      7.946322
  H      -6.483047      4.770974      6.200883
  H      -8.583654      3.823031      8.223038
  H      -8.550810      5.433504      7.552225
  H      -8.715810      1.985841      3.558175
  H     -12.895001      3.887572      3.581060
  H     -14.093553      5.463773      5.104255
  H     -12.952878      6.342892      7.135588
  H     -10.641944      5.688418      7.668805
  N      -5.118487      3.523037      4.279418
  N      -6.104798      3.621348      3.569414
  H      -5.949936      3.359959      2.576793
98
Coordinates from ORCA-job orca E -6258.354457447731
  N      -2.879625      1.730589      4.615600
  Mo     -3.725402      3.290235      5.472252
  N      -4.686903      2.910487      7.125241
  C      -3.899529      2.712289      8.339758
  C      -2.528640      2.153447      7.983975
  N      -1.961491      2.891869      6.824675
  C      -0.978144      2.074209      6.064989
  C      -1.725740      1.069792      5.213364
  C      -1.385300      4.209440      7.205791
  C      -1.477210      5.125600      5.991324
  N      -2.842634      5.047880      5.480709
  H      -1.056167      0.685320      4.422312
  H      -2.037057      0.192445      5.810216
  H      -0.419604      2.757697      5.413192
  H      -0.261807      1.590002      6.749560
  H      -1.227672      6.158956      6.274564
  H      -0.752980      4.822288      5.219364
  H      -2.004136      4.624169      8.013193
  H      -0.353996      4.086816      7.578988
  H      -4.405911      1.998438      9.008061
  H      -3.808177      3.656838      8.904947
  H      -2.636554      1.105378      7.677426
  H      -1.836418      2.191655      8.839833
  C      -3.614913      0.923663      3.644713
  C      -4.065832     -0.462324      4.142979
  C      -5.420312     -0.879079      3.522286
  C      -5.569717     -0.473020      2.081448
  N      -6.285083      0.627947      1.853804
  C      -6.394951      1.056514      0.565837
  N      -5.848765      0.521671     -0.505876
  C      -5.117057     -0.618251     -0.301608
  C      -4.506908     -1.255220     -1.409753
  C      -3.772024     -2.409709     -1.223910
  C      -3.622567     -2.970808      0.066946
  C      -4.200511     -2.368320      1.165490
  C      -4.955024     -1.178972      1.007288
  C      -3.652707      6.260039      5.629939
  C      -3.492381      7.260605      4.473625
  C      -4.184704      6.829713      3.187715
  C      -5.684993      6.764125      3.264185
  N      -6.283832      7.282897      4.325321
  C      -7.635457      7.168006      4.404956
  N      -8.438314      6.551983      3.567222
  C      -7.849874      6.008750      2.461976
  C      -8.655147      5.300170      1.534148
  C      -8.083688      4.738108      0.411669
  C      -6.694268      4.868345      0.170395
  C      -5.885573      5.550704      1.063797
  C      -6.443949      6.124553      2.234947
  C      -6.146659      2.933918      7.302467
  C      -6.746335      4.344364      7.199610
  C      -8.271932      4.413148      7.371061
  C      -9.079109      3.916793      6.191478
  N      -8.513840      3.033524      5.377206
  C      -9.216347      2.624498      4.287071
  N     -10.435467      2.978415      3.941833
  C     -11.061785      3.862066      4.781628
  C     -12.386426      4.269996      4.479548
  C     -13.044006      5.152283      5.308730
  C     -12.405310      5.659491      6.465758
  C     -11.112796      5.282084      6.781311
  C     -10.411597      4.378131      5.949984
  H      -2.991274      0.809086      2.738515
  H      -4.501884      1.490860      3.348128
  H      -4.204314     -0.434800      5.234657
  H      -3.294045     -1.213905      3.933123
  H      -5.558226     -1.961338      3.636551
  H      -6.228935     -0.383084      4.074597
  H      -7.004232      1.956214      0.420588
  H      -4.644385     -0.811376     -2.397064
  H      -3.309882     -2.902581     -2.080566
  H      -3.065095     -3.885730      0.187977
  H      -4.089447     -2.812014      2.155995
  H      -4.713449      5.982757      5.709785
  H      -3.383524      6.750113      6.581915
  H      -2.421183      7.416441      4.268766
  H      -3.898667      8.221548      4.810244
  H      -3.911686      7.520256      2.368834
  H      -3.806153      5.853811      2.870091
  H      -8.092861      7.633731      5.281543
  H      -9.724954      5.211498      1.740378
  H      -8.706445      4.189356     -0.300877
  H      -6.261045      4.423975     -0.727400
  H      -4.813728      5.637026      0.871852
  H      -6.392163      2.501257      8.290628
  H      -6.614823      2.302313      6.535241
  H      -6.279947      4.990445      7.963689
  H      -6.483707      4.764924      6.212733
  H      -8.585239      3.853956      8.277489
  H      -8.551908      5.462705      7.564991
  H      -8.691625      1.927817      3.626371
  H     -12.858825      3.864230      3.583102
  H     -14.067036      5.467603      5.073319
  H     -12.942495      6.362857      7.110210
  H     -10.637447      5.679419      7.679860
  N      -5.159608      3.517545      4.325894
  N      -6.151366      3.606960      3.632943
  H      -6.031921      3.328092      2.632986
98
Coordinates from ORCA-job orca E -6258.354926466804
  N      -2.875641      1.729590      4.611970
  Mo     -3.726917      3.287861      5.462544
  N      -4.691939      2.903593      7.111172
  C      -3.910843      2.707281      8.332342
  C      -2.539777      2.149148      7.983195
  N      -1.965996      2.891354      6.827025
  C      -0.980954      2.077321      6.066818
  C      -1.724464      1.071804      5.213765
  C      -1.392147      4.210145      7.211984
  C      -1.482817      5.127618      5.995025
  N      -2.849331      5.048764      5.480173
  H      -1.051164      0.684835      4.427368
  H      -2.039772      0.195446      5.809968
  H      -0.425708      2.765179      5.414490
  H      -0.262782      1.595627      6.751035
  H      -1.232676      6.162209      6.278120
  H      -0.754966      4.823823      5.224361
  H      -2.010944      4.621894      8.021789
  H      -0.360740      4.089529      7.585314
  H      -4.419640      1.991044      8.999721
  H      -3.822957      3.652692      8.900300
  H      -2.646325      1.100562      7.672703
  H      -1.852462      2.184426      8.844548
  C      -3.600727      0.915566      3.638099
  C      -4.046630     -0.468194      4.134165
  C      -5.397624     -0.899378      3.509271
  C      -5.553070     -0.505275      2.064306
  N      -6.283613      0.585446      1.823611
  C      -6.386518      0.999389      0.529509
  N      -5.827849      0.460201     -0.536484
  C      -5.088642     -0.668660     -0.318617
  C      -4.471366     -1.308339     -1.420192
  C      -3.725655     -2.451904     -1.220874
  C      -3.569586     -2.999548      0.077113
  C      -4.160357     -2.392781      1.168579
  C      -4.924288     -1.214934      0.996870
  C      -3.655437      6.263166      5.631668
  C      -3.494193      7.256568      4.468236
  C      -4.194595      6.815261      3.189218
  C      -5.705220      6.774551      3.274680
  N      -6.289710      7.307200      4.339924
  C      -7.649161      7.223366      4.422007
  N      -8.473496      6.628510      3.580665
  C      -7.896693      6.069128      2.473417
  C      -8.712768      5.375770      1.545664
  C      -8.150638      4.798788      0.428727
  C      -6.761833      4.896198      0.191342
  C      -5.941081      5.559407      1.082854
  C      -6.486317      6.148799      2.248177
  C      -6.152740      2.924254      7.283270
  C      -6.751041      4.331090      7.209051
  C      -8.273229      4.394150      7.378118
  C      -9.077583      3.916959      6.192410
  N      -8.515619      3.043780      5.371091
  C      -9.218351      2.651966      4.276605
  N     -10.434293      3.024489      3.931716
  C     -11.054517      3.899154      4.779333
  C     -12.373179      4.317886      4.481757
  C     -13.025764      5.198721      5.317698
  C     -12.388092      5.694083      6.476929
  C     -11.100431      5.300620      6.789580
  C     -10.404277      4.392523      5.952736
  H      -2.967998      0.796547      2.736975
  H      -4.487725      1.476690      3.335553
  H      -4.188020     -0.437232      5.225803
  H      -3.267923     -1.218174      3.927121
  H      -5.523051     -1.984689      3.625800
  H      -6.212116     -0.407870      4.058062
  H      -7.003420      1.891841      0.373012
  H      -4.610614     -0.875385     -2.413259
  H      -3.252610     -2.947088     -2.072085
  H      -2.974901     -3.911163      0.210366
  H      -4.041927     -2.825282      2.164433
  H      -4.716061      5.988289      5.718096
  H      -3.379486      6.757170      6.582428
  H      -2.423581      7.407209      4.260362
  H      -3.896763      8.223148      4.798498
  H      -3.911216      7.494525      2.363889
  H      -3.830752      5.820143      2.876422
  H      -8.093384      7.701006      5.303633
  H      -9.777468      5.303700      1.750590
  H      -8.778982      4.258159     -0.279894
  H      -6.337400      4.437685     -0.700151
  H      -4.870349      5.615507      0.898011
  H      -6.396778      2.475015      8.261058
  H      -6.620083      2.306333      6.505349
  H      -6.286982      4.959990      7.985524
  H      -6.490083      4.770434      6.235659
  H      -8.586166      3.822655      8.271448
  H      -8.554018      5.435815      7.589379
  H      -8.696126      1.951912      3.611281
  H     -12.845652      3.922087      3.583447
  H     -14.043299      5.517493      5.087626
  H     -12.921812      6.391591      7.128030
  H     -10.624998      5.684128      7.691161
  N      -5.144341      3.500647      4.316960
  N      -6.138330      3.568872      3.618124
  H      -6.023225      3.277184      2.626969
98
Coordinates from ORCA-job orca E -6258.354989012509
  N      -2.873545      1.731103      4.606226
  Mo     -3.724353      3.287910      5.460842
  N      -4.691844      2.901750      7.109573
  C      -3.912369      2.706073      8.331790
  C      -2.542804      2.147004      7.981374
  N      -1.968690      2.889009      6.826218
  C      -0.986028      2.073107      6.066737
  C      -1.729441      1.067493      5.213158
  C      -1.391611      4.205137      7.211341
  C      -1.483739      5.125363      5.996902
  N      -2.848878      5.045130      5.484837
  H      -1.053484      0.675895      4.428572
  H      -2.049186      0.191892      5.810535
  H      -0.428009      2.757443      5.414313
  H      -0.269386      1.589485      6.751351
  H      -1.233763      6.159049      6.283664
  H      -0.757281      4.825992      5.223677
  H      -2.005917      4.617348      8.022727
  H      -0.360666      4.083281      7.581000
  H      -4.421078      1.991723      9.000564
  H      -3.821327      3.652426      8.898774
  H      -2.650240      1.098450      7.670553
  H      -1.856036      2.181906      8.843992
  C      -3.587615      0.915409      3.625869
  C      -4.042642     -0.465282      4.127130
  C      -5.397228     -0.890147      3.508208
  C      -5.553575     -0.501459      2.062241
  N      -6.271202      0.587017      1.819161
  C      -6.376737      0.994811      0.525254
  N      -5.828304      0.451382     -0.537794
  C      -5.083161     -0.678158     -0.317447
  C      -4.463531     -1.324417     -1.415829
  C      -3.717840     -2.469323     -1.213556
  C      -3.560057     -3.010378      0.084341
  C      -4.144302     -2.398128      1.173738
  C      -4.920134     -1.217731      0.998955
  C      -3.651972      6.260748      5.634048
  C      -3.498622      7.254671      4.472075
  C      -4.200703      6.824037      3.187500
  C      -5.710076      6.783259      3.264753
  N      -6.302310      7.309954      4.329486
  C      -7.659604      7.221785      4.407019
  N      -8.475318      6.628575      3.562296
  C      -7.891658      6.073990      2.455608
  C      -8.704575      5.383644      1.524233
  C      -8.135951      4.808632      0.404432
  C      -6.742629      4.903466      0.171232
  C      -5.926449      5.566361      1.067830
  C      -6.480371      6.157004      2.234440
  C      -6.150984      2.916963      7.277630
  C      -6.749344      4.322157      7.216718
  C      -8.273715      4.385146      7.391119
  C      -9.085778      3.922742      6.203798
  N      -8.527265      3.051475      5.379894
  C      -9.235259      2.662841      4.284487
  N     -10.453048      3.030025      3.942865
  C     -11.072525      3.903572      4.793559
  C     -12.394290      4.317035      4.500364
  C     -13.044577      5.198104      5.341020
  C     -12.400576      5.698793      6.499051
  C     -11.110223      5.317336      6.805368
  C     -10.416231      4.405545      5.965525
  H      -2.945063      0.791938      2.731660
  H      -4.470245      1.472220      3.303988
  H      -4.178767     -0.428703      5.218919
  H      -3.275079     -1.221155      3.923451
  H      -5.529652     -1.972333      3.631052
  H      -6.203487     -0.392793      4.055533
  H      -6.992142      1.886003      0.366336
  H      -4.605958     -0.895480     -2.408702
  H      -3.254966     -2.968843     -2.061821
  H      -2.978283     -3.921031      0.218770
  H      -4.027828     -2.826366      2.168938
  H      -4.711085      5.988098      5.726427
  H      -3.369854      6.756048      6.580005
  H      -2.430160      7.410044      4.268009
  H      -3.907004      8.218071      4.807086
  H      -3.918707      7.509732      2.369354
  H      -3.835281      5.831373      2.867980
  H      -8.108550      7.691216      5.289198
  H      -9.774383      5.314917      1.726427
  H      -8.762768      4.272022     -0.309822
  H      -6.312502      4.443382     -0.722007
  H      -4.852094      5.620359      0.885587
  H      -6.396022      2.460107      8.249104
  H      -6.618009      2.305579      6.496000
  H      -6.278232      4.940858      7.995497
  H      -6.492219      4.769448      6.249098
  H      -8.580817      3.804310      8.276125
  H      -8.553088      5.420772      7.615966
  H      -8.714619      1.976220      3.614330
  H     -12.871517      3.913998      3.603609
  H     -14.064085      5.506202      5.117321
  H     -12.931025      6.383550      7.155621
  H     -10.630154      5.703169      7.706995
  N      -5.141639      3.503890      4.312338
  N      -6.135458      3.592270      3.615619
  H      -6.003981      3.314097      2.624312
98
Coordinates from ORCA-job orca E -6258.355222676355
  N      -2.871230      1.731709      4.614346
  Mo     -3.727203      3.284831      5.475483
  N      -4.687256      2.896274      7.128000
  C      -3.901722      2.703005      8.347241
  C      -2.530514      2.147116      7.991908
  N      -1.962920      2.891043      6.833240
  C      -0.978847      2.077692      6.069144
  C      -1.722984      1.071635      5.216073
  C      -1.388433      4.210321      7.214102
  C      -1.488753      5.128566      5.999637
  N      -2.855985      5.045358      5.493848
  H      -1.050355      0.682916      4.430611
  H      -2.040362      0.195562      5.813449
  H      -0.424697      2.766013      5.415883
  H      -0.258486      1.595042      6.751294
  H      -1.240447      6.162991      6.283746
  H      -0.765255      4.830332      5.224642
  H      -2.000003      4.620811      8.028155
  H      -0.354650      4.091697      7.578166
  H      -4.407016      1.987366      9.018880
  H      -3.811449      3.650736      8.913638
  H      -2.635880      1.097779      7.681745
  H      -1.839628      2.184444      8.851121
  C      -3.585115      0.921984      3.630750
  C      -4.042216     -0.463424      4.128050
  C      -5.401318     -0.885753      3.508635
  C      -5.560469     -0.486845      2.064619
  N      -6.284927      0.603353      1.826012
  C      -6.396749      1.017868      0.532246
  N      -5.843226      0.478952     -0.534441
  C      -5.099503     -0.650677     -0.318262
  C      -4.484029     -1.290958     -1.420563
  C      -3.740878     -2.436114     -1.223286
  C      -3.585211     -2.984032      0.073561
  C      -4.169631     -2.377008      1.166391
  C      -4.936892     -1.196705      0.996537
  C      -3.660552      6.260575      5.639854
  C      -3.510346      7.250367      4.473927
  C      -4.209259      6.812189      3.185803
  C      -5.715392      6.759243      3.257124
  N      -6.314954      7.282442      4.317575
  C      -7.670552      7.186486      4.388085
  N      -8.476691      6.591864      3.539040
  C      -7.886561      6.042621      2.435454
  C      -8.695373      5.355532      1.496445
  C      -8.121219      4.782749      0.379226
  C      -6.724882      4.877012      0.156575
  C      -5.913852      5.539169      1.059564
  C      -6.475527      6.129214      2.222675
  C      -6.148640      2.917817      7.300151
  C      -6.748173      4.326625      7.225756
  C      -8.273217      4.391254      7.398870
  C      -9.080473      3.923148      6.210839
  N      -8.520347      3.045529      5.391246
  C      -9.221529      2.654794      4.294683
  N     -10.434342      3.021853      3.948669
  C     -11.055606      3.902805      4.793977
  C     -12.374013      4.328140      4.491425
  C     -13.027133      5.210409      5.326283
  C     -12.389120      5.699409      6.488934
  C     -11.102629      5.310093      6.803414
  C     -10.406401      4.403982      5.967391
  H      -2.941413      0.802088      2.737934
  H      -4.468094      1.483209      3.311846
  H      -4.176823     -0.434211      5.220345
  H      -3.272761     -1.219013      3.918942
  H      -5.531676     -1.973393      3.623539
  H      -6.212504     -0.392665      4.061403
  H      -7.014691      1.908939      0.377236
  H      -4.621130     -0.857736     -2.412362
  H      -3.268032     -2.932501     -2.075358
  H      -2.998409     -3.895935      0.204624
  H      -4.049771     -2.810487      2.161395
  H      -4.720500      5.987980      5.735082
  H      -3.376617      6.759287      6.583814
  H      -2.437679      7.407664      4.270560
  H      -3.923669      8.215244      4.807807
  H      -3.933121      7.496103      2.364786
  H      -3.833756      5.826821      2.870159
  H      -8.126297      7.650853      5.266959
  H      -9.769011      5.288620      1.691221
  H      -8.745806      4.248880     -0.341029
  H      -6.289472      4.418575     -0.734582
  H      -4.837827      5.595301      0.883544
  H      -6.394390      2.467145      8.278173
  H      -6.616377      2.301629      6.521910
  H      -6.280598      4.954930      8.000764
  H      -6.488578      4.766638      6.250644
  H      -8.583870      3.812814      8.288528
  H      -8.553746      5.431237      7.618319
  H      -8.699007      1.958092      3.629835
  H     -12.846131      3.934360      3.591172
  H     -14.045492      5.535466      5.092326
  H     -12.922407      6.391914      7.139998
  H     -10.628316      5.692446      7.706833
  N      -5.150760      3.496642      4.330002
  N      -6.142913      3.569153      3.633729
  H      -6.022116      3.283320      2.635957
98
Coordinates from ORCA-job orca E -6258.355297823637
  N      -2.869994      1.728702      4.627690
  Mo     -3.732316      3.276879      5.485273
  N      -4.691276      2.893983      7.139331
  C      -3.905054      2.714185      8.358127
  C      -2.533386      2.158289      8.007846
  N      -1.966875      2.893865      6.845771
  C      -0.981658      2.077353      6.089404
  C      -1.725406      1.069358      5.239121
  C      -1.395201      4.215188      7.220518
  C      -1.497633      5.126049      6.000143
  N      -2.866522      5.040092      5.494353
  H      -1.050939      0.675618      4.459895
  H      -2.047412      0.199133      5.838304
  H      -0.425741      2.761020      5.434639
  H      -0.263977      1.597507      6.775238
  H      -1.250118      6.161943      6.277677
  H      -0.772916      4.822207      5.226930
  H      -2.009747      4.628756      8.033252
  H      -0.359461      4.100483      7.586065
  H      -4.408352      2.004925      9.035639
  H      -3.816940      3.665538      8.914070
  H      -2.637808      1.108044      7.705917
  H      -1.842946      2.202765      8.865649
  C      -3.577204      0.921720      3.636381
  C      -4.043445     -0.462584      4.126336
  C      -5.401396     -0.872037      3.501824
  C      -5.556320     -0.459232      2.062391
  N      -6.292494      0.632739      1.834966
  C      -6.406406      1.058632      0.545997
  N      -5.846196      0.531685     -0.525939
  C      -5.102005     -0.596559     -0.322069
  C      -4.486240     -1.222623     -1.430872
  C      -3.737904     -2.367677     -1.246063
  C      -3.580402     -2.928909      0.044296
  C      -4.168493     -2.335174      1.143467
  C      -4.933559     -1.156290      0.986871
  C      -3.672296      6.257120      5.623306
  C      -3.513260      7.233912      4.445226
  C      -4.190746      6.768372      3.163633
  C      -5.697793      6.711521      3.228435
  N      -6.302371      7.244037      4.282568
  C      -7.661179      7.153120      4.345503
  N      -8.467717      6.555666      3.492700
  C      -7.871269      5.995466      2.396077
  C      -8.673296      5.301911      1.456464
  C      -8.093721      4.724587      0.346048
  C      -6.700535      4.822403      0.129146
  C      -5.893796      5.486905      1.034061
  C      -6.457529      6.078105      2.192235
  C      -6.151344      2.912138      7.315784
  C      -6.752090      4.319442      7.242760
  C      -8.275781      4.382965      7.421259
  C      -9.088496      3.915727      6.235107
  N      -8.537948      3.029594      5.416117
  C      -9.244908      2.647791      4.319207
  N     -10.456005      3.035389      3.971327
  C     -11.067600      3.919170      4.817682
  C     -12.382460      4.348827      4.518278
  C     -13.026612      5.233752      5.354896
  C     -12.382569      5.725865      6.514638
  C     -11.097946      5.323998      6.828231
  C     -10.410808      4.409312      5.992224
  H      -2.925230      0.800311      2.749420
  H      -4.452594      1.486940      3.311274
  H      -4.182578     -0.437187      5.218404
  H      -3.277400     -1.220821      3.916107
  H      -5.538174     -1.957816      3.605498
  H      -6.210990     -0.381452      4.059069
  H      -7.025827      1.947899      0.400927
  H      -4.626819     -0.779213     -2.417747
  H      -3.265165     -2.853255     -2.103025
  H      -2.991832     -3.840091      0.165445
  H      -4.047642     -2.778797      2.133493
  H      -4.733032      5.984473      5.712726
  H      -3.396128      6.767430      6.564223
  H      -2.444129      7.400434      4.248581
  H      -3.936805      8.195998      4.756324
  H      -3.906446      7.439658      2.332251
  H      -3.810758      5.777889      2.872024
  H      -8.121849      7.628095      5.219744
  H      -9.743915      5.232059      1.645609
  H      -8.712879      4.186086     -0.374199
  H      -6.263020      4.363056     -0.757399
  H      -4.821199      5.545679      0.863326
  H      -6.393415      2.461246      8.294031
  H      -6.620706      2.294942      6.538411
  H      -6.283025      4.949802      8.015617
  H      -6.495726      4.758097      6.266750
  H      -8.583731      3.803435      8.311737
  H      -8.553803      5.423039      7.644020
  H      -8.730746      1.947244      3.652818
  H     -12.859460      3.956355      3.619001
  H     -14.042048      5.561354      5.123705
  H     -12.909727      6.432202      7.164808
  H     -10.618548      5.706242      7.730267
  N      -5.165717      3.477555      4.343162
  N      -6.165994      3.544863      3.651590
  H      -6.043900      3.252196      2.664297
98
Coordinates from ORCA-job orca E -6258.355493501121
  N      -2.869945      1.727469      4.625820
  Mo     -3.734201      3.276116      5.482634
  N      -4.691736      2.890910      7.137684
  C      -3.905072      2.715812      8.357357
  C      -2.533453      2.159466      8.008217
  N      -1.967537      2.894312      6.844156
  C      -0.982711      2.076653      6.087860
  C      -1.726526      1.067824      5.239440
  C      -1.394292      4.216332      7.216461
  C      -1.501237      5.127580      5.996269
  N      -2.871681      5.041375      5.496336
  H      -1.050571      0.669787      4.461937
  H      -2.051033      0.199362      5.841613
  H      -0.427009      2.760032      5.431561
  H      -0.264640      1.598009      6.774467
  H      -1.252829      6.164164      6.272771
  H      -0.779179      4.823996      5.220193
  H      -2.004471      4.629822      8.032245
  H      -0.356865      4.101451      7.576763
  H      -4.407775      2.007895      9.038099
  H      -3.817046      3.669725      8.911016
  H      -2.637303      1.108135      7.707301
  H      -1.842738      2.205341      8.866202
  C      -3.572229      0.919925      3.632133
  C      -4.041203     -0.463080      4.122240
  C      -5.400305     -0.874678      3.497708
  C      -5.559017     -0.470409      2.055094
  N      -6.291099      0.614547      1.820380
  C      -6.405065      1.030383      0.527766
  N      -5.850391      0.500590     -0.541099
  C      -5.097151     -0.622395     -0.329186
  C      -4.470548     -1.253763     -1.434108
  C      -3.717131     -2.393705     -1.240989
  C      -3.556917     -2.946170      0.053889
  C      -4.147834     -2.348001      1.149211
  C      -4.926619     -1.172677      0.983902
  C      -3.675137      6.258458      5.629763
  C      -3.520911      7.234309      4.451531
  C      -4.202429      6.767743      3.170391
  C      -5.712049      6.715683      3.235717
  N      -6.314609      7.243319      4.293079
  C      -7.673748      7.156491      4.353663
  N      -8.482924      6.570846      3.493895
  C      -7.888259      6.016247      2.394194
  C      -8.692040      5.336034      1.446458
  C      -8.113074      4.763083      0.335027
  C      -6.717899      4.849984      0.125795
  C      -5.909459      5.500498      1.038103
  C      -6.473601      6.090296      2.195539
  C      -6.151487      2.906883      7.313738
  C      -6.752928      4.313932      7.252010
  C      -8.276060      4.374062      7.429950
  C      -9.085192      3.915835      6.239289
  N      -8.533133      3.037077      5.416467
  C      -9.236431      2.662065      4.316098
  N     -10.444902      3.051848      3.967462
  C     -11.057617      3.931799      4.816850
  C     -12.370432      4.369262      4.515729
  C     -13.016166      5.253173      5.354886
  C     -12.375700      5.734218      6.519627
  C     -11.093156      5.325757      6.834635
  C     -10.404855      4.413201      5.995592
  H      -2.915088      0.795657      2.749854
  H      -4.446408      1.484428      3.300735
  H      -4.180547     -0.435768      5.214311
  H      -3.273874     -1.223157      3.913774
  H      -5.536535     -1.960519      3.606376
  H      -6.208773     -0.381515      4.052231
  H      -7.034654      1.915458      0.375887
  H      -4.615411     -0.817457     -2.424925
  H      -3.247528     -2.881601     -2.094565
  H      -2.970373     -3.852620      0.181154
  H      -4.027484     -2.784159      2.142516
  H      -4.735646      5.987722      5.725558
  H      -3.391873      6.768708      6.568660
  H      -2.450908      7.400951      4.253413
  H      -3.945311      8.197097      4.764469
  H      -3.916536      7.437857      2.338880
  H      -3.824983      5.773714      2.877059
  H      -8.132396      7.624698      5.232011
  H      -9.762462      5.271273      1.631096
  H      -8.732831      4.234039     -0.390499
  H      -6.279660      4.390978     -0.759948
  H      -4.833490      5.548063      0.874357
  H      -6.392674      2.448672      8.288787
  H      -6.620019      2.294951      6.532028
  H      -6.285032      4.938411      8.029749
  H      -6.496970      4.760342      6.279747
  H      -8.584318      3.786937      8.314886
  H      -8.555865      5.411706      7.660545
  H      -8.720401      1.961527      3.648017
  H     -12.844833      3.982907      3.613392
  H     -14.029559      5.583177      5.123521
  H     -12.903502      6.429779      7.173855
  H     -10.616265      5.698091      7.740829
  N      -5.162904      3.474680      4.341482
  N      -6.160173      3.534133      3.647803
  H      -6.039935      3.235213      2.657764
98
Coordinates from ORCA-job orca E -6258.355573330064
  N      -2.867873      1.731303      4.628002
  Mo     -3.738643      3.273315      5.489754
  N      -4.694165      2.885571      7.146680
  C      -3.905800      2.718224      8.367295
  C      -2.534418      2.162982      8.018279
  N      -1.971544      2.895738      6.850683
  C      -0.987261      2.076285      6.095689
  C      -1.730586      1.066265      5.248706
  C      -1.397603      4.218758      7.217097
  C      -1.512451      5.128911      5.996966
  N      -2.883459      5.037884      5.504332
  H      -1.050728      0.659239      4.474542
  H      -2.061781      0.201296      5.855881
  H      -0.430459      2.757268      5.437864
  H      -0.269744      1.599001      6.784091
  H      -1.266371      6.166415      6.272626
  H      -0.793197      4.828654      5.217243
  H      -2.001017      4.632927      8.035822
  H      -0.359120      4.105438      7.568952
  H      -4.405935      2.013600      9.053421
  H      -3.817739      3.675585      8.916285
  H      -2.636167      1.110264      7.719814
  H      -1.842907      2.212716      8.876326
  C      -3.553355      0.926594      3.620203
  C      -4.037559     -0.451920      4.107096
  C      -5.398888     -0.848671      3.486778
  C      -5.558805     -0.443761      2.045650
  N      -6.294827      0.638508      1.812617
  C      -6.415506      1.052530      0.520932
  N      -5.858887      0.523606     -0.547875
  C      -5.097418     -0.596919     -0.337215
  C      -4.477492     -1.226277     -1.442239
  C      -3.723535     -2.364422     -1.251013
  C      -3.559766     -2.915992      0.042574
  C      -4.148446     -2.318603      1.137991
  C      -4.927044     -1.145368      0.974388
  C      -3.686498      6.254543      5.632175
  C      -3.537196      7.223218      4.449537
  C      -4.212607      6.745351      3.166077
  C      -5.722339      6.686593      3.217528
  N      -6.339599      7.212741      4.266795
  C      -7.696089      7.115579      4.314922
  N      -8.489670      6.526928      3.447761
  C      -7.881223      5.974742      2.355810
  C      -8.674918      5.296237      1.398105
  C      -8.081171      4.719378      0.294249
  C      -6.678908      4.796469      0.106472
  C      -5.882180      5.448211      1.028543
  C      -6.464930      6.049625      2.174263
  C      -6.152714      2.899654      7.322068
  C      -6.751423      4.306931      7.274865
  C      -8.275101      4.366306      7.457963
  C      -9.088482      3.923108      6.264360
  N      -8.543112      3.041468      5.442083
  C      -9.248463      2.670363      4.339656
  N     -10.452536      3.064092      3.989570
  C     -11.060110      3.949214      4.839011
  C     -12.370029      4.397104      4.535973
  C     -13.010261      5.286308      5.376257
  C     -12.366242      5.760868      6.543551
  C     -11.086746      5.349451      6.858226
  C     -10.404562      4.431758      6.018439
  H      -2.879694      0.797127      2.751539
  H      -4.420056      1.492801      3.266407
  H      -4.174215     -0.424054      5.198636
  H      -3.281245     -1.219138      3.898331
  H      -5.544746     -1.930801      3.595693
  H      -6.197947     -0.350368      4.043240
  H      -7.046490      1.933451      0.371067
  H      -4.622799     -0.790629     -2.431637
  H      -3.248453     -2.852429     -2.105020
  H      -2.957158     -3.824011      0.169389
  H      -4.022875     -2.754377      2.130107
  H      -4.745842      5.985272      5.732580
  H      -3.399239      6.769621      6.565779
  H      -2.466437      7.397131      4.257476
  H      -3.972528      8.186580      4.756764
  H      -3.926880      7.411717      2.333418
  H      -3.826907      5.750733      2.880170
  H      -8.165693      7.576247      5.188858
  H      -9.751173      5.237016      1.568809
  H      -8.693354      4.192011     -0.440106
  H      -6.227234      4.327844     -0.770885
  H      -4.799418      5.485226      0.881881
  H      -6.393112      2.432659      8.291862
  H      -6.622960      2.295550      6.536286
  H      -6.278052      4.922398      8.055485
  H      -6.498470      4.761743      6.307262
  H      -8.579181      3.767775      8.334496
  H      -8.553782      5.399231      7.702852
  H      -8.736407      1.972795      3.670472
  H     -12.847352      4.013122      3.632193
  H     -14.022012      5.623380      5.144113
  H     -12.888924      6.451151      7.200232
  H     -10.607534      5.717892      7.766523
  N      -5.166854      3.468562      4.353799
  N      -6.167808      3.534607      3.669950
  H      -6.054341      3.237590      2.675123
98
Coordinates from ORCA-job orca E -6258.355858141929
  N      -2.858754      1.721843      4.635822
  Mo     -3.738780      3.260220      5.495786
  N      -4.692616      2.873071      7.152977
  C      -3.903974      2.719773      8.375716
  C      -2.530459      2.166729      8.031033
  N      -1.968252      2.894206      6.859961
  C      -0.983029      2.072641      6.107866
  C      -1.725238      1.059579      5.262602
  C      -1.396243      4.220231      7.217670
  C      -1.518544      5.124125      5.993647
  N      -2.892381      5.028860      5.507120
  H      -1.045237      0.648837      4.494806
  H      -2.061153      0.198520      5.871635
  H      -0.426477      2.752528      5.448426
  H      -0.265293      1.597240      6.797424
  H      -1.272372      6.162933      6.262768
  H      -0.802155      4.821123      5.213339
  H      -1.995817      4.636476      8.037773
  H      -0.355297      4.111764      7.563920
  H      -4.402238      2.019331      9.068093
  H      -3.818832      3.682530      8.916348
  H      -2.629148      1.111922      7.739180
  H      -1.839975      2.223998      8.889420
  C      -3.534491      0.917441      3.622538
  C      -4.027344     -0.459715      4.109642
  C      -5.392471     -0.850682      3.489049
  C      -5.551472     -0.440151      2.048965
  N      -6.294881      0.638339      1.816785
  C      -6.417204      1.052617      0.524598
  N      -5.855096      0.528756     -0.544781
  C      -5.089788     -0.585840     -0.334672
  C      -4.466111     -1.208594     -1.440039
  C      -3.698574     -2.343528     -1.248923
  C      -3.535158     -2.896608      0.044190
  C      -4.130559     -2.304927      1.139969
  C      -4.915608     -1.135874      0.976961
  C      -3.693969      6.248227      5.627167
  C      -3.549701      7.208219      4.435883
  C      -4.222592      6.721142      3.153380
  C      -5.731132      6.661638      3.203832
  N      -6.347714      7.185376      4.254956
  C      -7.706322      7.098411      4.299809
  N      -8.502369      6.526149      3.424846
  C      -7.894338      5.976869      2.330284
  C      -8.692673      5.320090      1.361795
  C      -8.101281      4.747820      0.253566
  C      -6.697239      4.808386      0.072550
  C      -5.896421      5.440022      1.004638
  C      -6.475700      6.036771      2.154713
  C      -6.152625      2.886030      7.326856
  C      -6.753329      4.293540      7.287413
  C      -8.277036      4.352288      7.472478
  C      -9.091810      3.921744      6.275568
  N      -8.551661      3.038271      5.449459
  C      -9.257941      2.681375      4.343751
  N     -10.458778      3.089725      3.994278
  C     -11.061010      3.973636      4.848042
  C     -12.366720      4.430758      4.547002
  C     -13.002383      5.314919      5.392640
  C     -12.357085      5.779734      6.562030
  C     -11.081093      5.358965      6.874811
  C     -10.403741      4.442930      6.030765
  H      -2.851539      0.785496      2.761446
  H      -4.395020      1.484639      3.258396
  H      -4.162297     -0.432908      5.201983
  H      -3.275424     -1.230850      3.900420
  H      -5.540150     -1.935800      3.592611
  H      -6.194230     -0.353315      4.048313
  H      -7.056280      1.928641      0.375330
  H      -4.613740     -0.771873     -2.429240
  H      -3.219659     -2.827117     -2.102978
  H      -2.937245     -3.799632      0.169813
  H      -4.006880     -2.741613      2.131787
  H      -4.753207      5.980638      5.733597
  H      -3.402007      6.770861      6.555376
  H      -2.479577      7.387412      4.243548
  H      -3.992666      8.170613      4.737178
  H      -3.938254      7.382121      2.316419
  H      -3.834477      5.727283      2.874983
  H      -8.174936      7.555096      5.176801
  H      -9.771993      5.274657      1.527157
  H      -8.717950      4.238370     -0.490178
  H      -6.249102      4.344132     -0.808719
  H      -4.815650      5.468356      0.861429
  H      -6.394650      2.410767      8.292984
  H      -6.620612      2.288147      6.534928
  H      -6.280515      4.905755      8.071195
  H      -6.500980      4.753911      6.321200
  H      -8.580357      3.744909      8.343114
  H      -8.554807      5.382591      7.728975
  H      -8.749930      1.983926      3.670865
  H     -12.844851      4.057878      3.640376
  H     -14.011750      5.662947      5.160820
  H     -12.876982      6.478567      7.220534
  H     -10.601375      5.721581      7.784267
  N      -5.170776      3.439951      4.357032
  N      -6.172438      3.493756      3.670346
  H      -6.054792      3.185970      2.681408
98
Coordinates from ORCA-job orca E -6258.356167240701
  N      -2.851373      1.714038      4.655905
  Mo     -3.747543      3.242015      5.515741
  N      -4.693847      2.859280      7.177819
  C      -3.900795      2.733639      8.399858
  C      -2.524700      2.183166      8.060863
  N      -1.968870      2.898058      6.879716
  C      -0.981692      2.071076      6.136105
  C      -1.723495      1.053843      5.295469
  C      -1.401306      4.230486      7.220435
  C      -1.537972      5.121518      5.988126
  N      -2.916733      5.017847      5.513923
  H      -1.041977      0.634240      4.537531
  H      -2.067793      0.201404      5.909498
  H      -0.423229      2.746032      5.473457
  H      -0.266271      1.599962      6.830730
  H      -1.293792      6.163748      6.244391
  H      -0.826031      4.812279      5.205682
  H      -1.997353      4.651420      8.042397
  H      -0.354952      4.130743      7.558498
  H      -4.393394      2.043688      9.106064
  H      -3.819957      3.705976      8.921698
  H      -2.618665      1.124680      7.783603
  H      -1.832544      2.255765      8.915888
  C      -3.508954      0.917240      3.625659
  C      -4.023293     -0.458400      4.102714
  C      -5.395358     -0.828173      3.480932
  C      -5.556727     -0.396184      2.047014
  N      -6.309008      0.678815      1.829589
  C      -6.443420      1.107701      0.542505
  N      -5.878458      0.604383     -0.534192
  C      -5.098871     -0.504199     -0.339044
  C      -4.459492     -1.105719     -1.452710
  C      -3.689013     -2.235376     -1.277475
  C      -3.522037     -2.806767      0.007661
  C      -4.121885     -2.236753      1.111698
  C      -4.919804     -1.071558      0.965028
  C      -3.720832      6.237598      5.614614
  C      -3.578732      7.176215      4.405082
  C      -4.226572      6.648160      3.128573
  C      -5.734249      6.574683      3.165219
  N      -6.364487      7.102168      4.206504
  C      -7.725349      7.017628      4.232488
  N      -8.512210      6.452072      3.341991
  C      -7.889380      5.899110      2.256935
  C      -8.674877      5.251708      1.271720
  C      -8.069481      4.677924      0.173198
  C      -6.664095      4.727130      0.018937
  C      -5.874692      5.348136      0.967510
  C      -6.466963      5.947791      2.106978
  C      -6.153543      2.869121      7.355897
  C      -6.755660      4.277266      7.326271
  C      -8.278612      4.335030      7.517126
  C      -9.096575      3.919432      6.316554
  N      -8.570296      3.026526      5.489732
  C      -9.277722      2.688587      4.379706
  N     -10.468452      3.123533      4.026405
  C     -11.057325      4.016106      4.880656
  C     -12.352932      4.498930      4.576068
  C     -12.977175      5.390090      5.422853
  C     -12.329137      5.837286      6.596722
  C     -11.061797      5.387962      6.913760
  C     -10.396883      4.465463      6.068490
  H      -2.805907      0.781391      2.782055
  H      -4.353510      1.493602      3.242753
  H      -4.158532     -0.439754      5.195434
  H      -3.279317     -1.237156      3.889122
  H      -5.553304     -1.915611      3.569799
  H      -6.195052     -0.332743      4.049646
  H      -7.095678      1.976509      0.405894
  H      -4.608044     -0.656530     -2.435785
  H      -3.206838     -2.701410     -2.137884
  H      -2.918596     -3.706096      0.120721
  H      -3.992511     -2.687416      2.097683
  H      -4.780307      5.969649      5.723992
  H      -3.430000      6.777479      6.534094
  H      -2.511237      7.373518      4.219193
  H      -4.043812      8.133239      4.680120
  H      -3.938631      7.290270      2.277077
  H      -3.824298      5.653755      2.882214
  H      -8.206254      7.474628      5.104328
  H      -9.755325      5.213741      1.417140
  H      -8.676524      4.176424     -0.583368
  H      -6.206057      4.260693     -0.853728
  H      -4.793732      5.367537      0.845175
  H      -6.393368      2.385051      8.319382
  H      -6.622043      2.277043      6.559155
  H      -6.281916      4.887385      8.111882
  H      -6.505434      4.742776      6.360294
  H      -8.580240      3.715570      8.381678
  H      -8.553821      5.363353      7.788586
  H      -8.780555      1.980517      3.706012
  H     -12.833042      4.139462      3.665926
  H     -13.978900      5.756487      5.188775
  H     -12.840127      6.543766      7.256055
  H     -10.580267      5.735863      7.827059
  N      -5.192375      3.398171      4.383714
  N      -6.201513      3.430041      3.704036
  H      -6.089079      3.101839      2.722646
98
Coordinates from ORCA-job orca E -6258.356457726298
  N      -2.841017      1.703508      4.671311
  Mo     -3.751938      3.226414      5.524568
  N      -4.694442      2.846884      7.190497
  C      -3.900626      2.751728      8.413522
  C      -2.521826      2.202005      8.084407
  N      -1.969182      2.903076      6.893473
  C      -0.980503      2.068259      6.161122
  C      -1.720914      1.045425      5.327129
  C      -1.403479      4.240708      7.217226
  C      -1.554836      5.119828      5.977584
  N      -2.938431      5.008972      5.519776
  H      -1.035675      0.613087      4.580435
  H      -2.074318      0.203240      5.948232
  H      -0.417456      2.735483      5.494369
  H      -0.268938      1.601686      6.862937
  H      -1.311025      6.165283      6.221766
  H      -0.849648      4.804369      5.190340
  H      -1.993581      4.667387      8.042281
  H      -0.351659      4.148335      7.544977
  H      -4.389735      2.075168      9.135074
  H      -3.823270      3.735700      8.913663
  H      -2.611175      1.139114      7.822417
  H      -1.830460      2.290361      8.938291
  C      -3.477549      0.908637      3.626088
  C      -4.013408     -0.462482      4.097115
  C      -5.390339     -0.812724      3.475423
  C      -5.554226     -0.374976      2.042841
  N      -6.322017      0.691736      1.828909
  C      -6.466815      1.119389      0.542545
  N      -5.895127      0.626703     -0.536133
  C      -5.100286     -0.470050     -0.344649
  C      -4.454193     -1.058927     -1.460621
  C      -3.668975     -2.180077     -1.289724
  C      -3.496547     -2.755435     -0.006660
  C      -4.104671     -2.196699      1.099694
  C      -4.912572     -1.040027      0.957635
  C      -3.743737      6.228023      5.610371
  C      -3.611377      7.150577      4.387955
  C      -4.242560      6.593541      3.117062
  C      -5.750271      6.512164      3.141499
  N      -6.391461      7.032222      4.179431
  C      -7.752262      6.949693      4.187681
  N      -8.530650      6.403779      3.276558
  C      -7.896947      5.860395      2.193979
  C      -8.673107      5.239523      1.184246
  C      -8.056349      4.674991      0.088294
  C      -6.648170      4.704548     -0.037063
  C      -5.867693      5.298990      0.935553
  C      -6.471823      5.894157      2.069843
  C      -6.152876      2.847522      7.367490
  C      -6.757681      4.255084      7.364413
  C      -8.280528      4.307966      7.559440
  C      -9.098696      3.919493      6.349786
  N      -8.580990      3.030321      5.513448
  C      -9.287317      2.717493      4.395624
  N     -10.469574      3.175364      4.041664
  C     -11.050303      4.064684      4.904881
  C     -12.337947      4.569211      4.600779
  C     -12.955364      5.455854      5.457640
  C     -12.307253      5.878182      6.640958
  C     -11.046892      5.406578      6.957755
  C     -10.389780      4.487072      6.102658
  H      -2.752588      0.764839      2.803076
  H      -4.306211      1.490077      3.217011
  H      -4.149112     -0.445183      5.190096
  H      -3.278304     -1.251107      3.883385
  H      -5.561301     -1.898022      3.560142
  H      -6.183186     -0.311708      4.047426
  H      -7.135414      1.975906      0.409692
  H      -4.609273     -0.607666     -2.442339
  H      -3.181534     -2.636503     -2.151977
  H      -2.885894     -3.648135      0.103075
  H      -3.972238     -2.649848      2.084166
  H      -4.801999      5.960224      5.729767
  H      -3.446708      6.781648      6.519505
  H      -2.547067      7.365038      4.204241
  H      -4.095625      8.101453      4.646714
  H      -3.950394      7.222808      2.256757
  H      -3.831545      5.597481      2.892579
  H      -8.242827      7.393080      5.060745
  H      -9.755372      5.213828      1.309105
  H      -8.656144      4.194807     -0.687403
  H      -6.180990      4.241007     -0.905627
  H      -4.783549      5.301188      0.835906
  H      -6.392145      2.343330      8.321416
  H      -6.618749      2.269644      6.558915
  H      -6.282922      4.852707      8.158902
  H      -6.509007      4.737156      6.405712
  H      -8.580397      3.667279      8.409704
  H      -8.555143      5.330207      7.855513
  H      -8.796698      2.011083      3.714168
  H     -12.818151      4.228585      3.683120
  H     -13.951165      5.836690      5.224574
  H     -12.812691      6.580213      7.308485
  H     -10.565225      5.734393      7.878651
  N      -5.202663      3.365185      4.395291
  N      -6.215220      3.380550      3.720219
  H      -6.104863      3.037860      2.743120
98
Coordinates from ORCA-job orca E -6258.356727136839
  N      -2.824517      1.688907      4.686054
  Mo     -3.751698      3.205392      5.531817
  N      -4.690590      2.828187      7.200408
  C      -3.896109      2.768967      8.426101
  C      -2.513876      2.221534      8.109695
  N      -1.964431      2.905374      6.907429
  C      -0.974212      2.061033      6.187978
  C      -1.712235      1.031540      5.358621
  C      -1.399593      4.248625      7.209687
  C      -1.567327      5.114935      5.962205
  N      -2.956683      4.994973      5.522078
  H      -1.022113      0.586160      4.622139
  H      -2.074745      0.198571      5.987991
  H      -0.405167      2.719957      5.518464
  H      -0.268011      1.599566      6.898343
  H      -1.323587      6.163258      6.192585
  H      -0.870790      4.794025      5.169926
  H      -1.979928      4.682402      8.036685
  H      -0.343427      4.164154      7.524703
  H      -4.380433      2.107915      9.164348
  H      -3.824233      3.765529      8.900696
  H      -2.596252      1.153988      7.866596
  H      -1.824881      2.330149      8.963301
  C      -3.438352      0.896162      3.626576
  C      -4.004214     -0.463963      4.096160
  C      -5.388820     -0.789300      3.481279
  C      -5.558664     -0.347046      2.050539
  N      -6.340433      0.709461      1.843009
  C      -6.499566      1.136817      0.558675
  N      -5.923171      0.657334     -0.522948
  C      -5.107679     -0.425604     -0.337370
  C      -4.455812     -0.998639     -1.456258
  C      -3.653618     -2.109482     -1.292072
  C      -3.473404     -2.690185     -0.012859
  C      -4.088322     -2.146208      1.096306
  C      -4.909647     -0.999487      0.961350
  C      -3.766280      6.211326      5.606820
  C      -3.657221      7.118989      4.373358
  C      -4.281874      6.536210      3.109945
  C      -5.789970      6.442555      3.127789
  N      -6.440053      6.950297      4.166003
  C      -7.800640      6.865076      4.161017
  N      -8.571415      6.343931      3.228711
  C      -7.928706      5.816518      2.144425
  C      -8.696796      5.230626      1.107968
  C      -8.069577      4.677690      0.012439
  C      -6.657856      4.677391     -0.081748
  C      -5.886031      5.238377      0.916070
  C      -6.501353      5.831952      2.044936
  C      -6.147465      2.817289      7.374943
  C      -6.754051      4.223522      7.406298
  C      -8.277403      4.271843      7.595705
  C      -9.087364      3.919813      6.369834
  N      -8.574608      3.034530      5.526834
  C      -9.272785      2.748528      4.396841
  N     -10.442248      3.232568      4.035740
  C     -11.017923      4.119907      4.904381
  C     -12.292591      4.651225      4.592631
  C     -12.906397      5.533546      5.456200
  C     -12.266204      5.927570      6.653071
  C     -11.017720      5.432951      6.976426
  C     -10.365333      4.513742      6.115794
  H      -2.692205      0.739942      2.827125
  H      -4.246860      1.485499      3.185914
  H      -4.135198     -0.443668      5.189764
  H      -3.285245     -1.266966      3.883595
  H      -5.577856     -1.870941      3.566389
  H      -6.169429     -0.277359      4.057610
  H      -7.186869      1.979279      0.433169
  H      -4.618965     -0.544369     -2.435306
  H      -3.158323     -2.554112     -2.156684
  H      -2.848210     -3.576121      0.091778
  H      -3.950458     -2.603349      2.077606
  H      -4.820257      5.940207      5.742192
  H      -3.459897      6.777452      6.503181
  H      -2.598056      7.353697      4.184665
  H      -4.162894      8.062862      4.624344
  H      -3.993873      7.156445      2.243190
  H      -3.860522      5.539484      2.899163
  H      -8.299058      7.285836      5.039783
  H      -9.781158      5.220896      1.213230
  H      -8.662222      4.224326     -0.783707
  H      -6.182032      4.213887     -0.945867
  H      -4.798633      5.211888      0.842574
  H      -6.386839      2.288162      8.315649
  H      -6.608737      2.257135      6.551431
  H      -6.281342      4.799924      8.216631
  H      -6.502209      4.730672      6.461974
  H      -8.579599      3.603875      8.423513
  H      -8.552437      5.284402      7.921599
  H      -8.785334      2.046558      3.710033
  H     -12.766699      4.333215      3.664122
  H     -13.893132      5.935433      5.217062
  H     -12.768507      6.628693      7.325496
  H     -10.542346      5.740761      7.907378
  N      -5.200239      3.324767      4.400677
  N      -6.213943      3.335480      3.728805
  H      -6.108791      2.981747      2.752894
98
Coordinates from ORCA-job orca E -6258.356960607832
  N      -2.814259      1.684189      4.684146
  Mo     -3.746857      3.195975      5.530507
  N      -4.689089      2.817290      7.196922
  C      -3.897618      2.759253      8.425781
  C      -2.512570      2.218781      8.110888
  N      -1.964236      2.904017      6.908278
  C      -0.969321      2.061352      6.192181
  C      -1.701701      1.029342      5.359959
  C      -1.404083      4.249798      7.210062
  C      -1.565600      5.112845      5.958769
  N      -2.952734      4.986963      5.511442
  H      -1.007964      0.587520      4.622673
  H      -2.061502      0.193703      5.988367
  H      -0.398423      2.720671      5.524982
  H      -0.265684      1.602337      6.906111
  H      -1.326367      6.162584      6.188858
  H      -0.863834      4.793040      5.170131
  H      -1.992666      4.685264      8.030164
  H      -0.350771      4.168514      7.534791
  H      -4.380868      2.092358      9.161630
  H      -3.831654      3.755904      8.903852
  H      -2.589419      1.150354      7.868388
  H      -1.825223      2.331736      8.965914
  C      -3.420763      0.888744      3.621105
  C      -3.996527     -0.463985      4.094942
  C      -5.380287     -0.787472      3.478911
  C      -5.548949     -0.360724      2.043085
  N      -6.336305      0.690910      1.825414
  C      -6.494431      1.107039      0.537814
  N      -5.911559      0.622228     -0.538852
  C      -5.090065     -0.453927     -0.343122
  C      -4.433402     -1.030236     -1.456287
  C      -3.624015     -2.135160     -1.282125
  C      -3.444933     -2.706540      0.001549
  C      -4.068493     -2.158980      1.105196
  C      -4.893906     -1.017736      0.960248
  C      -3.769777      6.197053      5.602485
  C      -3.670544      7.114325      4.375960
  C      -4.309509      6.541957      3.114431
  C      -5.818268      6.446866      3.147800
  N      -6.457585      6.938170      4.199940
  C      -7.817163      6.842848      4.213406
  N      -8.597265      6.327744      3.286723
  C      -7.966230      5.819970      2.186915
  C      -8.745796      5.244094      1.153012
  C      -8.129576      4.713150      0.040496
  C      -6.716866      4.722314     -0.071943
  C      -5.934049      5.271994      0.923959
  C      -6.539583      5.845687      2.068357
  C      -6.145983      2.807658      7.363644
  C      -6.748947      4.215208      7.397132
  C      -8.271501      4.269041      7.586262
  C      -9.082231      3.919688      6.359095
  N      -8.576897      3.027720      5.520498
  C      -9.275932      2.744572      4.389824
  N     -10.438297      3.239420      4.023582
  C     -11.005254      4.137095      4.885842
  C     -12.270702      4.686666      4.565022
  C     -12.876766      5.582845      5.422194
  C     -12.237133      5.971412      6.621230
  C     -10.996663      5.461206      6.952283
  C     -10.352645      4.528191      6.098385
  H      -2.666493      0.725411      2.828889
  H      -4.223240      1.478596      3.166908
  H      -4.130079     -0.436059      5.188041
  H      -3.281509     -1.271164      3.890082
  H      -5.575367     -1.865415      3.577170
  H      -6.157865     -0.264270      4.046670
  H      -7.186187      1.944316      0.406262
  H      -4.596447     -0.583524     -2.438943
  H      -3.122885     -2.582337     -2.142107
  H      -2.811285     -3.588883      0.114085
  H      -3.932570     -2.609023      2.089686
  H      -4.822138      5.916619      5.737236
  H      -3.466312      6.758363      6.503614
  H      -2.612099      7.349426      4.179101
  H      -4.172203      8.057925      4.639505
  H      -4.029313      7.169265      2.250717
  H      -3.891547      5.545010      2.889599
  H      -8.305521      7.246003      5.105348
  H      -9.829564      5.225363      1.273722
  H      -8.730486      4.268301     -0.754347
  H      -6.248608      4.274627     -0.948710
  H      -4.845504      5.250609      0.837052
  H      -6.391872      2.275699      8.300858
  H      -6.602233      2.250186      6.535743
  H      -6.273653      4.789418      8.208946
  H      -6.496252      4.723780      6.453388
  H      -8.576315      3.601592      8.413666
  H      -8.541126      5.282131      7.912378
  H      -8.796452      2.032791      3.707617
  H     -12.744572      4.370546      3.635629
  H     -13.856657      5.994902      5.177758
  H     -12.733070      6.675286      7.289704
  H     -10.521370      5.765338      7.884430
  N      -5.188476      3.310756      4.394024
  N      -6.198990      3.338095      3.719029
  H      -6.089275      2.984085      2.741683
98
Coordinates from ORCA-job orca E -6258.357236874254
  N      -2.800506      1.677160      4.686279
  Mo     -3.743801      3.179966      5.532409
  N      -4.689099      2.802163      7.196355
  C      -3.900889      2.754052      8.428230
  C      -2.511959      2.222222      8.118747
  N      -1.964745      2.903746      6.913004
  C      -0.964921      2.060614      6.204425
  C      -1.690982      1.025304      5.370110
  C      -1.411046      4.254299      7.207798
  C      -1.568477      5.107832      5.949787
  N      -2.953167      4.973617      5.497911
  H      -0.992418      0.584101      4.635636
  H      -2.052238      0.189393      5.998256
  H      -0.390362      2.718401      5.539427
  H      -0.265997      1.605238      6.924560
  H      -1.333923      6.159891      6.174097
  H      -0.863608      4.785004      5.165797
  H      -2.007375      4.694006      8.019335
  H      -0.361112      4.178935      7.541217
  H      -4.381400      2.085134      9.164216
  H      -3.844304      3.752498      8.903735
  H      -2.581448      1.151869      7.881626
  H      -1.827039      2.344546      8.974854
  C      -3.393972      0.881799      3.613915
  C      -3.987269     -0.462325      4.085971
  C      -5.372091     -0.773521      3.469545
  C      -5.540549     -0.350495      2.032443
  N      -6.331557      0.697541      1.811801
  C      -6.487441      1.111720      0.523704
  N      -5.897871      0.630698     -0.550925
  C      -5.069534     -0.439062     -0.351884
  C      -4.403338     -1.008959     -1.462150
  C      -3.586687     -2.108311     -1.284928
  C      -3.412046     -2.681083     -0.001400
  C      -4.044041     -2.139912      1.099370
  C      -4.876537     -1.003268      0.951671
  C      -3.779157      6.176615      5.594305
  C      -3.690821      7.094885      4.367919
  C      -4.341288      6.518266      3.113227
  C      -5.850085      6.422161      3.161194
  N      -6.479260      6.910571      4.220827
  C      -7.837435      6.808147      4.251029
  N      -8.625472      6.291827      3.332780
  C      -8.005057      5.788882      2.224573
  C      -8.793469      5.211860      1.198005
  C      -8.187037      4.683585      0.077689
  C      -6.775432      4.694988     -0.048657
  C      -5.984276      5.245884      0.939757
  C      -6.580541      5.818505      2.090486
  C      -6.146734      2.794251      7.357127
  C      -6.746106      4.202966      7.395088
  C      -8.268651      4.264712      7.583760
  C      -9.080005      3.923973      6.355132
  N      -8.588212      3.016441      5.524610
  C      -9.288006      2.739359      4.393090
  N     -10.437567      3.257340      4.017922
  C     -10.989279      4.172914      4.870760
  C     -12.239014      4.750103      4.537959
  C     -12.831172      5.663594      5.386396
  C     -12.191887      6.043169      6.587861
  C     -10.965487      5.508357      6.929238
  C     -10.336323      4.556781      6.084750
  H      -2.625554      0.709223      2.836863
  H      -4.183013      1.476798      3.141708
  H      -4.123560     -0.430969      5.178161
  H      -3.279499     -1.276301      3.885722
  H      -5.577613     -1.848919      3.573114
  H      -6.144369     -0.240888      4.034378
  H      -7.185126      1.943761      0.391066
  H      -4.563081     -0.562220     -2.444997
  H      -3.075078     -2.550437     -2.142865
  H      -2.772537     -3.559629      0.113166
  H      -3.911950     -2.590955      2.083637
  H      -4.829211      5.887050      5.729820
  H      -3.479631      6.737450      6.497738
  H      -2.634403      7.330927      4.162584
  H      -4.191629      8.039183      4.634491
  H      -4.070712      7.141767      2.244717
  H      -3.923749      5.519314      2.887867
  H      -8.316849      7.204305      5.151139
  H      -9.876036      5.189526      1.331605
  H      -8.794456      4.237934     -0.711951
  H      -6.314544      4.248633     -0.930792
  H      -4.896715      5.224186      0.842896
  H      -6.397928      2.258383      8.290307
  H      -6.599214      2.240933      6.525039
  H      -6.268926      4.772448      8.209035
  H      -6.491547      4.714672      6.453846
  H      -8.577810      3.595654      8.407517
  H      -8.531917      5.278134      7.913120
  H      -8.821765      2.014930      3.717651
  H     -12.712863      4.440467      3.606792
  H     -13.799888      6.098304      5.132938
  H     -12.676664      6.761578      7.249340
  H     -10.490129      5.808012      7.862468
  N      -5.184169      3.282633      4.396919
  N      -6.197408      3.310266      3.726227
  H      -6.093715      2.947509      2.750608
98
Coordinates from ORCA-job orca E -6258.357534022744
  N      -2.785344      1.666006      4.689999
  Mo     -3.737887      3.165224      5.529173
  N      -4.688709      2.792156      7.189682
  C      -3.905906      2.757867      8.425637
  C      -2.513103      2.231777      8.125693
  N      -1.963170      2.905679      6.916110
  C      -0.959662      2.057502      6.218108
  C      -1.679667      1.018655      5.383049
  C      -1.414424      4.260682      7.200380
  C      -1.566188      5.100741      5.933240
  N      -2.949229      4.961277      5.479792
  H      -0.975770      0.577253      4.653239
  H      -2.042894      0.182860      6.011651
  H      -0.377696      2.710823      5.555299
  H      -0.268167      1.604112      6.946710
  H      -1.332708      6.155221      6.146847
  H      -0.859892      4.769140      5.154593
  H      -2.018651      4.707286      8.002147
  H      -0.367724      4.190568      7.543301
  H      -4.385777      2.090620      9.163610
  H      -3.858234      3.760163      8.894172
  H      -2.576191      1.158618      7.896882
  H      -1.832149      2.364758      8.983738
  C      -3.365472      0.870965      3.609702
  C      -3.980993     -0.462382      4.082004
  C      -5.367309     -0.757192      3.464213
  C      -5.530579     -0.339690      2.025654
  N      -6.323543      0.704162      1.799595
  C      -6.480440      1.113363      0.509755
  N      -5.884926      0.634154     -0.561685
  C      -5.046291     -0.428461     -0.356472
  C      -4.368554     -0.993511     -1.462113
  C      -3.546063     -2.086550     -1.279017
  C      -3.376981     -2.658708      0.005441
  C      -4.020679     -2.122020      1.101748
  C      -4.859000     -0.990326      0.948514
  C      -3.781818      6.159183      5.583664
  C      -3.704433      7.077015      4.355628
  C      -4.367985      6.495626      3.110368
  C      -5.874883      6.396576      3.177876
  N      -6.490734      6.878860      4.248401
  C      -7.848201      6.771392      4.297941
  N      -8.647209      6.259631      3.387714
  C      -8.040162      5.764351      2.268100
  C      -8.841068      5.193739      1.247649
  C      -8.247807      4.674017      0.114991
  C      -6.837700      4.686863     -0.029394
  C      -6.034719      5.231641      0.952815
  C      -6.617695      5.795886      2.115410
  C      -6.147175      2.780323      7.341740
  C      -6.748362      4.187616      7.389605
  C      -8.270713      4.250586      7.578993
  C      -9.083586      3.923489      6.347951
  N      -8.604364      3.007271      5.520063
  C      -9.305672      2.741426      4.386098
  N     -10.443538      3.280016      4.004986
  C     -10.980520      4.208058      4.853245
  C     -12.215223      4.812002      4.511229
  C     -12.793831      5.736962      5.356112
  C     -12.154444      6.102954      6.562606
  C     -10.941440      5.543625      6.911877
  C     -10.326688      4.579344      6.071385
  H      -2.582237      0.686398      2.850962
  H      -4.137702      1.472223      3.117727
  H      -4.120721     -0.425163      5.173179
  H      -3.283217     -1.286146      3.888330
  H      -5.587236     -1.829603      3.571719
  H      -6.134447     -0.212375      4.025835
  H      -7.183847      1.938811      0.373340
  H      -4.525365     -0.548392     -2.446117
  H      -3.026331     -2.524461     -2.133242
  H      -2.730578     -3.533311      0.124340
  H      -3.892913     -2.572565      2.086763
  H      -4.829474      5.862761      5.723501
  H      -3.482878      6.719891      6.487372
  H      -2.649472      7.312767      4.139526
  H      -4.202935      8.023382      4.624472
  H      -4.109572      7.114746      2.235141
  H      -3.950654      5.496971      2.885313
  H      -8.316029      7.157308      5.209046
  H      -9.922769      5.169875      1.396048
  H      -8.864784      4.234604     -0.671169
  H      -6.387661      4.248031     -0.921942
  H      -4.949214      5.211652      0.841688
  H      -6.403728      2.234827      8.267488
  H      -6.592344      2.233396      6.501717
  H      -6.270896      4.751072      8.207824
  H      -6.494420      4.706932      6.452363
  H      -8.580462      3.574730      8.394937
  H      -8.531095      5.260648      7.917418
  H      -8.852790      2.003124      3.714746
  H     -12.689340      4.512380      3.576119
  H     -13.751848      6.192750      5.096151
  H     -12.628355      6.831666      7.221057
  H     -10.465667      5.835214      7.848255
  N      -5.178460      3.251564      4.392021
  N      -6.192422      3.269094      3.722945
  H      -6.092973      2.892570      2.751327
98
Coordinates from ORCA-job orca E -6258.357786331385
  N      -2.772775      1.660506      4.688021
  Mo     -3.728558      3.160380      5.518913
  N      -4.689018      2.792636      7.173756
  C      -3.913015      2.765156      8.414074
  C      -2.517970      2.240319      8.124148
  N      -1.960863      2.908336      6.914206
  C      -0.955088      2.054892      6.226301
  C      -1.670515      1.015748      5.387978
  C      -1.413787      4.264656      7.193856
  C      -1.553524      5.094352      5.918871
  N      -2.934258      4.956251      5.459082
  H      -0.962255      0.576778      4.661639
  H      -2.034968      0.178540      6.014360
  H      -0.364467      2.704335      5.567258
  H      -0.272209      1.600529      6.962628
  H      -1.316679      6.149668      6.123490
  H      -0.844853      4.751900      5.147484
  H      -2.027170      4.717118      7.985172
  H      -0.371571      4.195945      7.550057
  H      -4.395151      2.099317      9.151175
  H      -3.871350      3.768959      8.878652
  H      -2.578703      1.165776      7.900228
  H      -1.841676      2.378194      8.985405
  C      -3.344837      0.865953      3.603702
  C      -3.978503     -0.458639      4.076827
  C      -5.365818     -0.739764      3.456127
  C      -5.522704     -0.331425      2.014441
  N      -6.313589      0.712539      1.778418
  C      -6.465121      1.113638      0.485134
  N      -5.864175      0.628734     -0.580920
  C      -5.027039     -0.431505     -0.365328
  C      -4.339454     -0.999499     -1.463910
  C      -3.517079     -2.090561     -1.270462
  C      -3.357478     -2.658509      0.017012
  C      -4.007819     -2.118839      1.106755
  C      -4.847165     -0.987604      0.943423
  C      -3.768973      6.151099      5.576836
  C      -3.699889      7.071490      4.350207
  C      -4.381569      6.491105      3.114222
  C      -5.886212      6.394268      3.204278
  N      -6.485715      6.877488      4.284339
  C      -7.841726      6.769780      4.354889
  N      -8.653528      6.257678      3.457290
  C      -8.062963      5.760578      2.328591
  C      -8.877654      5.186752      1.321492
  C      -8.300633      4.665271      0.180289
  C      -6.894189      4.679130      0.013798
  C      -6.077555      5.226919      0.982868
  C      -6.644292      5.792436      2.154073
  C      -6.148515      2.776073      7.318536
  C      -6.755071      4.181351      7.369025
  C      -8.277695      4.242579      7.562560
  C      -9.094416      3.916422      6.334080
  N      -8.623812      2.990740      5.510090
  C      -9.326447      2.728303      4.376619
  N     -10.456323      3.280577      3.990940
  C     -10.982936      4.219263      4.833921
  C     -12.206449      4.841085      4.484087
  C     -12.775350      5.777726      5.323319
  C     -12.136824      6.136492      6.532190
  C     -10.933918      5.560302      6.888584
  C     -10.328816      4.585679      6.053356
  H      -2.551264      0.669637      2.859284
  H      -4.103076      1.472798      3.098351
  H      -4.122627     -0.414967      5.166749
  H      -3.289247     -1.290830      3.890163
  H      -5.599199     -1.809347      3.568738
  H      -6.128005     -0.182364      4.012847
  H      -7.168681      1.937373      0.340248
  H      -4.488184     -0.558447     -2.450516
  H      -2.988665     -2.530482     -2.119439
  H      -2.712298     -3.531927      0.143484
  H      -3.886240     -2.566317      2.094253
  H      -4.814965      5.851557      5.721850
  H      -3.467722      6.707917      6.481733
  H      -2.645793      7.300150      4.122610
  H      -4.189508      8.021532      4.623548
  H      -4.136006      7.105853      2.232427
  H      -3.968166      5.492071      2.886835
  H      -8.295984      7.154853      5.274148
  H      -9.956126      5.161260      1.487389
  H      -8.928034      4.223993     -0.596424
  H      -6.457283      4.240882     -0.886460
  H      -4.994153      5.207195      0.854831
  H      -6.408068      2.226040      8.240625
  H      -6.586979      2.230768      6.474465
  H      -6.277916      4.744781      8.187504
  H      -6.504573      4.703571      6.431950
  H      -8.585601      3.566244      8.379506
  H      -8.537720      5.253250      7.900940
  H      -8.883160      1.984397      3.709724
  H     -12.679994      4.545716      3.547432
  H     -13.725230      6.246641      5.058092
  H     -12.603346      6.872268      7.186644
  H     -10.458980      5.847279      7.826411
  N      -5.169149      3.235958      4.381488
  N      -6.186392      3.241045      3.715671
  H      -6.093773      2.852872      2.748084
98
Coordinates from ORCA-job orca E -6258.358034524781
  N      -2.751732      1.649980      4.687812
  Mo     -3.708466      3.164275      5.495019
  N      -4.687049      2.809520      7.139605
  C      -3.925356      2.795305      8.389086
  C      -2.528463      2.262789      8.121007
  N      -1.953372      2.917062      6.910134
  C      -0.947428      2.048793      6.240091
  C      -1.658350      1.008462      5.402252
  C      -1.402342      4.273830      7.179973
  C      -1.526914      5.086111      5.893272
  N      -2.906393      4.957675      5.431717
  H      -0.943608      0.565198      4.685033
  H      -2.027815      0.173069      6.028937
  H      -0.340210      2.687715      5.583899
  H      -0.279110      1.591770      6.988969
  H      -1.276095      6.142415      6.079983
  H      -0.820649      4.720038      5.129397
  H      -2.021147      4.739034      7.960093
  H      -0.365136      4.204208      7.547813
  H      -4.418552      2.140112      9.129112
  H      -3.886268      3.806030      8.840800
  H      -2.589981      1.184795      7.906673
  H      -1.861875      2.406334      8.988997
  C      -3.316438      0.850926      3.603095
  C      -3.978463     -0.459433      4.082904
  C      -5.372202     -0.713226      3.466093
  C      -5.526290     -0.308737      2.024247
  N      -6.312508      0.736898      1.784247
  C      -6.467474      1.132120      0.489745
  N      -5.867222      0.644147     -0.574286
  C      -5.028075     -0.415028     -0.354724
  C      -4.333967     -0.982370     -1.449942
  C      -3.513312     -2.073082     -1.252979
  C      -3.360010     -2.642790      0.034256
  C      -4.015534     -2.102709      1.120847
  C      -4.852728     -0.969601      0.954411
  C      -3.738412      6.153186      5.569309
  C      -3.680418      7.071684      4.338920
  C      -4.376061      6.485341      3.115213
  C      -5.877729      6.390034      3.226439
  N      -6.464759      6.877969      4.312132
  C      -7.819600      6.774698      4.395777
  N      -8.640668      6.266758      3.504812
  C      -8.062019      5.761752      2.372175
  C      -8.887477      5.190744      1.371587
  C      -8.321614      4.660520      0.228289
  C      -6.917735      4.661287      0.052535
  C      -6.090579      5.207336      1.015129
  C      -6.646820      5.783751      2.187159
  C      -6.148054      2.776413      7.270055
  C      -6.771032      4.173443      7.342047
  C      -8.294334      4.212943      7.542664
  C      -9.117362      3.898460      6.314437
  N      -8.649338      2.980028      5.479750
  C      -9.354143      2.730624      4.342979
  N     -10.481795      3.290664      3.961123
  C     -11.003448      4.222030      4.813503
  C     -12.221748      4.851708      4.465661
  C     -12.786161      5.781598      5.313364
  C     -12.148856      6.123024      6.530809
  C     -10.951331      5.534598      6.886649
  C     -10.349637      4.569410      6.041115
  H      -2.508803      0.631598      2.880491
  H      -4.054292      1.465824      3.077027
  H      -4.124173     -0.406249      5.171015
  H      -3.306326     -1.307296      3.902660
  H      -5.628478     -1.779320      3.579268
  H      -6.122936     -0.140022      4.025151
  H      -7.172771      1.953299      0.340650
  H      -4.479452     -0.541190     -2.436739
  H      -2.981242     -2.511922     -2.099541
  H      -2.718293     -3.516674      0.163019
  H      -3.899270     -2.551380      2.108182
  H      -4.783651      5.856012      5.732664
  H      -3.422362      6.709226      6.471062
  H      -2.628641      7.294820      4.099769
  H      -4.162590      8.023880      4.610018
  H      -4.142136      7.090346      2.222366
  H      -3.965429      5.485343      2.892547
  H      -8.264881      7.161983      5.320428
  H      -9.964832      5.176091      1.544181
  H      -8.957401      4.223076     -0.545163
  H      -6.490466      4.219175     -0.850636
  H      -5.008759      5.178249      0.880542
  H      -6.407893      2.207649      8.180293
  H      -6.574970      2.240900      6.414926
  H      -6.299265      4.728078      8.168715
  H      -6.528632      4.714155      6.413750
  H      -8.589757      3.521085      8.350523
  H      -8.564895      5.214502      7.896335
  H      -8.917377      1.980182      3.672011
  H     -12.693909      4.571326      3.521776
  H     -13.731847      6.263086      5.048086
  H     -12.611901      6.860841      7.191145
  H     -10.477929      5.809813      7.830793
  N      -5.152310      3.225030      4.357711
  N      -6.167688      3.189871      3.691746
  H      -6.077561      2.775583      2.735654
98
Coordinates from ORCA-job orca E -6258.358174862170
  N      -2.754021      1.661114      4.679282
  Mo     -3.704019      3.181644      5.487186
  N      -4.683392      2.824580      7.132093
  C      -3.921566      2.802563      8.380969
  C      -2.526682      2.262975      8.111026
  N      -1.949091      2.918207      6.903303
  C      -0.945515      2.048306      6.231129
  C      -1.661026      1.012752      5.389661
  C      -1.392345      4.270115      7.181432
  C      -1.510208      5.088710      5.898565
  N      -2.889568      4.971559      5.431515
  H      -0.949970      0.571240      4.671050
  H      -2.031035      0.175433      6.013281
  H      -0.337890      2.686645      5.575724
  H      -0.277045      1.586332      6.977182
  H      -1.250328      6.141602      6.086945
  H      -0.806681      4.719447      5.136111
  H      -2.009938      4.734039      7.961682
  H      -0.356339      4.195220      7.551992
  H      -4.415461      2.148450      9.119511
  H      -3.878841      3.810678      8.834515
  H      -2.593582      1.187642      7.894618
  H      -1.860299      2.400202      8.979079
  C      -3.327886      0.861839      3.602722
  C      -3.990762     -0.448827      4.084186
  C      -5.382134     -0.704968      3.457960
  C      -5.523835     -0.314429      2.011563
  N      -6.301849      0.733827      1.759924
  C      -6.457970      1.115103      0.459794
  N      -5.862869      0.611220     -0.599183
  C      -5.029851     -0.451713     -0.367484
  C      -4.339677     -1.035840     -1.456534
  C      -3.526466     -2.129893     -1.247120
  C      -3.377601     -2.686449      0.047246
  C      -4.031223     -2.129807      1.128204
  C      -4.857212     -0.992565      0.948960
  C      -3.716528      6.169274      5.577497
  C      -3.659948      7.090484      4.349965
  C      -4.365021      6.511750      3.131637
  C      -5.865722      6.419183      3.247278
  N      -6.453323      6.913157      4.331011
  C      -7.810848      6.820861      4.410560
  N      -8.632634      6.313157      3.519260
  C      -8.052983      5.798371      2.390163
  C      -8.877306      5.225694      1.391186
  C      -8.310236      4.686792      0.253090
  C      -6.907404      4.684620      0.077260
  C      -6.081612      5.232722      1.037615
  C      -6.637222      5.813359      2.207353
  C      -6.143091      2.784678      7.268009
  C      -6.775081      4.181695      7.332811
  C      -8.299563      4.210968      7.532769
  C      -9.120254      3.887864      6.306311
  N      -8.640401      2.976554      5.470136
  C      -9.341077      2.720759      4.334122
  N     -10.475489      3.268925      3.953219
  C     -11.010012      4.192428      4.807487
  C     -12.236314      4.808952      4.461139
  C     -12.811007      5.732261      5.308763
  C     -12.178407      6.080092      6.525468
  C     -10.974582      5.504933      6.880847
  C     -10.360886      4.546162      6.034812
  H      -2.527695      0.638789      2.875764
  H      -4.067291      1.477273      3.082187
  H      -4.142005     -0.387092      5.171866
  H      -3.316971     -1.300352      3.910170
  H      -5.641009     -1.770316      3.572345
  H      -6.136450     -0.124627      4.009831
  H      -7.156718      1.939444      0.299882
  H      -4.483871     -0.604039     -2.449043
  H      -3.000949     -2.580991     -2.088948
  H      -2.743672     -3.563327      0.186289
  H      -3.917803     -2.568886      2.121184
  H      -4.760780      5.877045      5.746754
  H      -3.394850      6.723144      6.475229
  H      -2.607029      7.301312      4.102961
  H      -4.129369      8.046746      4.624733
  H      -4.132185      7.118670      2.239150
  H      -3.960855      5.512512      2.906212
  H      -8.259632      7.219724      5.329332
  H      -9.954439      5.217672      1.560008
  H      -8.945344      4.247735     -0.518207
  H      -6.479083      4.240812     -0.824313
  H      -5.000507      5.205020      0.902412
  H      -6.398048      2.221261      8.184905
  H      -6.570067      2.241652      6.417580
  H      -6.308374      4.742306      8.158142
  H      -6.535616      4.721153      6.401306
  H      -8.589699      3.519229      8.343700
  H      -8.579358      5.214008      7.881239
  H      -8.894306      1.981425      3.662795
  H     -12.704737      4.522145      3.518120
  H     -13.761804      6.198928      5.044928
  H     -12.650043      6.809950      7.186597
  H     -10.506161      5.782073      7.825664
  N      -5.157142      3.247735      4.351332
  N      -6.181832      3.207755      3.696760
  H      -6.107961      2.800070      2.736920
98
Coordinates from ORCA-job orca E -6258.358226932697
  N      -2.746702      1.657607      4.692697
  Mo     -3.705112      3.176260      5.499056
  N      -4.679719      2.820696      7.147876
  C      -3.917152      2.807693      8.397367
  C      -2.522362      2.265761      8.130369
  N      -1.946114      2.917980      6.921037
  C      -0.941146      2.048668      6.249296
  C      -1.656751      1.010315      5.409126
  C      -1.392748      4.272528      7.194232
  C      -1.516298      5.085735      5.906026
  N      -2.898953      4.966538      5.439441
  H      -0.944965      0.563354      4.695821
  H      -2.030243      0.177547      6.035021
  H      -0.336167      2.687748      5.590744
  H      -0.269399      1.588957      6.994017
  H      -1.255277      6.139539      6.088384
  H      -0.811808      4.713089      5.143788
  H      -2.009373      4.737701      7.977370
  H      -0.352013      4.203717      7.561158
  H      -4.411807      2.159840      9.142353
  H      -3.872258      3.820032      8.843363
  H      -2.588616      1.189243      7.918065
  H      -1.856816      2.406757      8.998396
  C      -3.312401      0.859817      3.610771
  C      -3.989090     -0.448713      4.088451
  C      -5.389169     -0.684012      3.472399
  C      -5.540181     -0.269295      2.032232
  N      -6.322832      0.782961      1.796621
  C      -6.482593      1.178536      0.501931
  N      -5.886438      0.687239     -0.565173
  C      -5.059605     -0.378466     -0.350491
  C      -4.372067     -0.949487     -1.449161
  C      -3.557943     -2.048058     -1.256833
  C      -3.406965     -2.621897      0.029515
  C      -4.055216     -2.077799      1.119818
  C      -4.881520     -0.936138      0.958284
  C      -3.727006      6.167806      5.567919
  C      -3.679889      7.071603      4.326436
  C      -4.372761      6.470783      3.110918
  C      -5.872182      6.361180      3.216516
  N      -6.473084      6.852313      4.292393
  C      -7.831757      6.758192      4.353866
  N      -8.644143      6.257448      3.448232
  C      -8.052019      5.746965      2.326357
  C      -8.867922      5.189153      1.310026
  C      -8.289185      4.652393      0.179766
  C      -6.882462      4.634052      0.030298
  C      -6.064548      5.168192      1.007619
  C      -6.632172      5.753168      2.167273
  C      -6.139214      2.778754      7.287832
  C      -6.768915      4.175215      7.362160
  C      -8.293649      4.198700      7.557898
  C      -9.107732      3.884086      6.324901
  N      -8.627265      2.972223      5.489287
  C      -9.320899      2.722226      4.347999
  N     -10.450122      3.274886      3.962328
  C     -10.986524      4.199720      4.816100
  C     -12.208875      4.823894      4.464641
  C     -12.784873      5.749548      5.310732
  C     -12.158988      6.089527      6.532122
  C     -10.959608      5.507740      6.893023
  C     -10.343819      4.549386      6.047492
  H      -2.506108      0.633028      2.890483
  H      -4.044985      1.479779      3.085081
  H      -4.131946     -0.395984      5.177904
  H      -3.328000     -1.305247      3.903355
  H      -5.656715     -1.749556      3.574718
  H      -6.133889     -0.108233      4.039209
  H      -7.185525      2.004048      0.355812
  H      -4.516669     -0.504543     -2.435172
  H      -3.034075     -2.489372     -2.105983
  H      -2.778860     -3.501512      0.154619
  H      -3.938986     -2.530056      2.106563
  H      -4.770058      5.877759      5.748440
  H      -3.397975      6.737690      6.454188
  H      -2.628090      7.291602      4.079091
  H      -4.161073      8.026473      4.589215
  H      -4.141407      7.071456      2.213923
  H      -3.957043      5.475687      2.896620
  H      -8.291449      7.153476      5.266577
  H      -9.947341      5.190192      1.458838
  H      -8.917484      4.223175     -0.603691
  H      -6.444070      4.185854     -0.862638
  H      -4.980566      5.124993      0.894330
  H      -6.389801      2.211232      8.203478
  H      -6.571565      2.239446      6.436963
  H      -6.305082      4.729476      8.192788
  H      -6.526747      4.721640      6.436125
  H      -8.582596      3.496623      8.361411
  H      -8.578159      5.196411      7.916271
  H      -8.871336      1.987920      3.675440
  H     -12.672700      4.539733      3.519262
  H     -13.731904      6.217413      5.043380
  H     -12.632892      6.811650      7.194032
  H     -10.497630      5.775755      7.842753
  N      -5.155850      3.226208      4.365836
  N      -6.182766      3.165816      3.714814
  H      -6.106010      2.747439      2.762106
98
Coordinates from ORCA-job orca E -6258.360107534551
  N      -2.686205      1.684702      4.695467
  Mo     -3.662849      3.200354      5.488789
  N      -4.658144      2.834496      7.124019
  C      -3.911717      2.829548      8.385442
  C      -2.508305      2.298151      8.140451
  N      -1.919109      2.947930      6.935997
  C      -0.903296      2.078418      6.281660
  C      -1.606586      1.037917      5.432182
  C      -1.370099      4.304467      7.214161
  C      -1.480478      5.118490      5.926435
  N      -2.858832      4.994144      5.447994
  H      -0.883376      0.589599      4.728696
  H      -1.990351      0.206202      6.053215
  H      -0.289390      2.717016      5.632148
  H      -0.243143      1.620849      7.037280
  H      -1.225115      6.172853      6.115233
  H      -0.769020      4.749371      5.169442
  H      -1.996928      4.768611      7.989010
  H      -0.335681      4.237324      7.594270
  H      -4.411908      2.177843      9.122075
  H      -3.881711      3.841684      8.831494
  H      -2.566360      1.220945      7.930294
  H      -1.854956      2.444939      9.016929
  C      -3.241672      0.874891      3.611868
  C      -3.980327     -0.397221      4.095010
  C      -5.388546     -0.566295      3.475052
  C      -5.517012     -0.190889      2.022027
  N      -6.210733      0.915233      1.751606
  C      -6.359755      1.266982      0.444617
  N      -5.831530      0.678510     -0.608435
  C      -5.094396     -0.444279     -0.360265
  C      -4.487240     -1.124839     -1.443960
  C      -3.768914     -2.281316     -1.216912
  C      -3.636839     -2.806566      0.090808
  C      -4.207658     -2.158775      1.166339
  C      -4.934482     -0.955810      0.968622
  C      -3.691495      6.191031      5.586904
  C      -3.644337      7.108098      4.356179
  C      -4.344247      6.523186      3.134554
  C      -5.844892      6.424675      3.245935
  N      -6.431717      6.898500      4.336716
  C      -7.789496      6.815667      4.408298
  N      -8.613974      6.340340      3.500818
  C      -8.036540      5.847083      2.363518
  C      -8.865456      5.315854      1.344511
  C      -8.301628      4.800915      0.195821
  C      -6.896910      4.779381      0.029463
  C      -6.066599      5.285411      1.010582
  C      -6.618590      5.845833      2.190231
  C      -6.120993      2.765653      7.246510
  C      -6.785132      4.144917      7.326771
  C      -8.311123      4.124746      7.516309
  C      -9.113373      3.805605      6.275700
  N      -8.606335      2.921699      5.425414
  C      -9.291355      2.672961      4.278116
  N     -10.437831      3.197407      3.902230
  C     -11.001561      4.090454      4.771609
  C     -12.239157      4.687094      4.428956
  C     -12.835417      5.590088      5.284833
  C     -12.217841      5.930193      6.510528
  C     -11.006976      5.370590      6.865524
  C     -10.367350      4.440389      6.007294
  H      -2.424940      0.606557      2.916993
  H      -3.935774      1.508352      3.052361
  H      -4.128679     -0.321729      5.182442
  H      -3.361147     -1.287916      3.926454
  H      -5.721947     -1.608473      3.610374
  H      -6.097054      0.071457      4.020676
  H      -6.987461      2.147038      0.274984
  H      -4.616419     -0.715613     -2.445994
  H      -3.305777     -2.806631     -2.054945
  H      -3.084761     -3.732686      0.244408
  H      -4.109125     -2.575216      2.169498
  H      -4.735674      5.896477      5.760733
  H      -3.366444      6.752140      6.481094
  H      -2.593969      7.328049      4.108586
  H      -4.121932      8.060238      4.632278
  H      -4.113181      7.132166      2.243845
  H      -3.934314      5.525305      2.908181
  H      -8.236239      7.193158      5.334503
  H      -9.942946      5.320619      1.504611
  H      -8.940410      4.394741     -0.590788
  H      -6.470106      4.351366     -0.879415
  H      -4.985028      5.240689      0.883819
  H      -6.369740      2.185090      8.153612
  H      -6.534205      2.225454      6.387194
  H      -6.341247      4.704038      8.165779
  H      -6.550804      4.704716      6.407341
  H      -8.583525      3.402434      8.308286
  H      -8.623107      5.108920      7.890097
  H      -8.815691      1.970334      3.587536
  H     -12.694794      4.405928      3.478751
  H     -13.791464      6.043180      5.020384
  H     -12.706642      6.637143      7.179958
  H     -10.551005      5.639205      7.818137
  N      -5.093665      3.251392      4.332143
  N      -6.107733      3.190556      3.665028
  H      -6.024846      2.726884      2.732318
98
Coordinates from ORCA-job orca E -6258.361897109206
  N      -2.610962      1.734687      4.691321
  Mo     -3.621900      3.236453      5.478830
  N      -4.636530      2.834094      7.096326
  C      -3.907609      2.828348      8.370996
  C      -2.489626      2.324482      8.145148
  N      -1.893157      2.990082      6.953398
  C      -0.856265      2.136141      6.312161
  C      -1.536452      1.091179      5.446417
  C      -1.363520      4.352411      7.252503
  C      -1.468811      5.185137      5.978022
  N      -2.839010      5.042427      5.482548
  H      -0.797415      0.651900      4.750074
  H      -1.924743      0.253179      6.056745
  H      -0.240820      2.784802      5.676947
  H      -0.203427      1.682870      7.075473
  H      -1.233975      6.240067      6.189855
  H      -0.746405      4.840381      5.222410
  H      -2.005061      4.798490      8.023065
  H      -0.337071      4.293648      7.645303
  H      -4.408294      2.160998      9.090695
  H      -3.901718      3.834851      8.827237
  H      -2.529583      1.249623      7.925693
  H      -1.851418      2.473037      9.031795
  C      -3.150584      0.909463      3.603670
  C      -3.948235     -0.326444      4.082518
  C      -5.359655     -0.423474      3.451703
  C      -5.468403     -0.098980      1.985831
  N      -6.054842      1.055672      1.670820
  C      -6.213429      1.351807      0.353096
  N      -5.790200      0.655738     -0.678074
  C      -5.151435     -0.521155     -0.388339
  C      -4.661488     -1.321574     -1.448498
  C      -4.053789     -2.528861     -1.177663
  C      -3.919279     -2.988567      0.153179
  C      -4.381132     -2.226575      1.205935
  C      -4.990729     -0.970441      0.961754
  C      -3.695104      6.220315      5.635879
  C      -3.661514      7.156651      4.421359
  C      -4.341617      6.575144      3.184657
  C      -5.843868      6.439974      3.282676
  N      -6.446578      6.874729      4.380957
  C      -7.801521      6.755566      4.446511
  N      -8.610441      6.273028      3.529531
  C      -8.016412      5.818793      2.383529
  C      -8.825455      5.283510      1.353395
  C      -8.244348      4.815741      0.191835
  C      -6.839957      4.849935      0.021884
  C      -6.029263      5.356605      1.016055
  C      -6.598662      5.865506      2.210465
  C      -6.101747      2.737174      7.200465
  C      -6.796520      4.099060      7.310690
  C      -8.323674      4.033337      7.480526
  C      -9.107880      3.758812      6.216128
  N      -8.575066      2.936682      5.321428
  C      -9.249592      2.738763      4.156811
  N     -10.409696      3.253894      3.804905
  C     -10.999094      4.081546      4.719149
  C     -12.247795      4.666285      4.403559
  C     -12.861409      5.513963      5.299747
  C     -12.254048      5.805945      6.543443
  C     -11.036123      5.250489      6.875639
  C     -10.375523      4.378545      5.973942
  H      -2.327038      0.604426      2.932847
  H      -3.805051      1.554585      3.011394
  H      -4.104989     -0.225825      5.167706
  H      -3.373868     -1.252852      3.931784
  H      -5.762942     -1.432899      3.621187
  H      -6.023705      0.280439      3.973539
  H      -6.753623      2.281796      0.156097
  H      -4.792998     -0.959791     -2.468038
  H      -3.681620     -3.145509     -1.997299
  H      -3.452377     -3.957960      0.343509
  H      -4.285776     -2.593126      2.227341
  H      -4.736045      5.902811      5.796521
  H      -3.388166      6.773587      6.541006
  H      -2.617442      7.403422      4.181692
  H      -4.161024      8.090500      4.711532
  H      -4.118238      7.205851      2.307694
  H      -3.905378      5.586712      2.945259
  H      -8.260181      7.107141      5.376793
  H      -9.903126      5.250506      1.512654
  H      -8.869162      4.410025     -0.604152
  H      -6.398217      4.465763     -0.899709
  H      -4.948570      5.357008      0.886589
  H      -6.350362      2.128977      8.089206
  H      -6.496413      2.213759      6.322379
  H      -6.377786      4.640336      8.175169
  H      -6.560625      4.693913      6.414290
  H      -8.586512      3.267552      8.233718
  H      -8.661852      4.990311      7.900633
  H      -8.752481      2.085245      3.425621
  H     -12.694656      4.427017      3.437541
  H     -13.823701      5.967267      5.051346
  H     -12.756178      6.478273      7.245233
  H     -10.587726      5.482301      7.842161
  N      -5.033691      3.293664      4.294465
  N      -6.029824      3.234865      3.609269
  H      -5.933562      2.742632      2.682608
98
Coordinates from ORCA-job orca E -6258.363642702042
  N      -2.538840      1.757612      4.692853
  Mo     -3.573527      3.250897      5.471299
  N      -4.605599      2.830566      7.073642
  C      -3.895108      2.834132      8.360116
  C      -2.468805      2.342980      8.156211
  N      -1.860333      3.010608      6.971792
  C      -0.811093      2.161613      6.344356
  C      -1.475640      1.115103      5.467076
  C      -1.341096      4.375944      7.278681
  C      -1.438121      5.212551      6.005248
  N      -2.803889      5.062359      5.497057
  H      -0.725316      0.677632      4.781495
  H      -1.873476      0.276684      6.070243
  H      -0.189073      2.814045      5.718510
  H      -0.167618      1.709750      7.116301
  H      -1.212728      6.267989      6.225502
  H      -0.707028      4.875273      5.253323
  H      -1.994418      4.816835      8.043878
  H      -0.318359      4.321738      7.683688
  H      -4.401455      2.161675      9.071902
  H      -3.905529      3.841500      8.815404
  H      -2.498620      1.266817      7.937384
  H      -1.844360      2.496978      9.051885
  C      -3.067572      0.924139      3.604228
  C      -3.926689     -0.268107      4.088245
  C      -5.341565     -0.293616      3.460714
  C      -5.441322     -0.015624      1.984671
  N      -5.932803      1.170899      1.621620
  C      -6.100391      1.414260      0.295197
  N      -5.770934      0.630510     -0.706778
  C      -5.223487     -0.578041     -0.371467
  C      -4.833714     -1.470385     -1.399428
  C      -4.318939     -2.708980     -1.080629
  C      -4.181077     -3.109154      0.268510
  C      -4.546530     -2.259333      1.290391
  C      -5.060164     -0.970437      0.995531
  C      -3.672454      6.230918      5.662258
  C      -3.649263      7.182369      4.459351
  C      -4.336468      6.617640      3.216839
  C      -5.840021      6.492778      3.318262
  N      -6.432874      6.909513      4.427974
  C      -7.788873      6.809968      4.494296
  N      -8.608542      6.367995      3.566441
  C      -8.025233      5.935012      2.407438
  C      -8.846245      5.448954      1.361985
  C      -8.276570      5.006600      0.185376
  C      -6.871373      5.014285      0.016306
  C      -6.049204      5.469196      1.026957
  C      -6.606681      5.957097      2.234610
  C      -6.070477      2.710176      7.157648
  C      -6.788437      4.058194      7.269616
  C      -8.315125      3.956013      7.420889
  C      -9.080378      3.679741      6.144887
  N      -8.520341      2.884478      5.241999
  C      -9.184956      2.683425      4.071621
  N     -10.359942      3.165257      3.723519
  C     -10.976118      3.964485      4.645229
  C     -12.241302      4.514849      4.333413
  C     -12.879871      5.337763      5.235543
  C     -12.283291      5.635054      6.483296
  C     -11.051501      5.109723      6.813252
  C     -10.364023      4.266684      5.904469
  H      -2.236681      0.577139      2.963081
  H      -3.679048      1.582160      2.978992
  H      -4.081579     -0.146849      5.171573
  H      -3.403514     -1.224491      3.950246
  H      -5.808548     -1.268682      3.665658
  H      -5.955593      0.466724      3.962587
  H      -6.569876      2.375251      0.067416
  H      -4.965437     -1.152276     -2.432828
  H      -4.022728     -3.396929     -1.875331
  H      -3.788840     -4.102010      0.497736
  H      -4.449113     -2.579444      2.327006
  H      -4.711709      5.903947      5.820084
  H      -3.368391      6.776602      6.574274
  H      -2.607299      7.435211      4.216351
  H      -4.149747      8.111328      4.765505
  H      -4.113707      7.259253      2.348095
  H      -3.905759      5.630349      2.962615
  H      -8.238158      7.142797      5.435588
  H      -9.924253      5.434272      1.520111
  H      -8.911247      4.640569     -0.622880
  H      -6.437772      4.651191     -0.917412
  H      -4.968263      5.443459      0.900814
  H      -6.320666      2.089578      8.036707
  H      -6.446617      2.189847      6.269035
  H      -6.392427      4.600006      8.144379
  H      -6.551207      4.664498      6.382108
  H      -8.566636      3.172645      8.159864
  H      -8.679433      4.897113      7.852391
  H      -8.667673      2.055804      3.331243
  H     -12.679332      4.272147      3.364104
  H     -13.853293      5.767712      4.988238
  H     -12.804016      6.286757      7.189684
  H     -10.612601      5.344248      7.783502
  N      -4.968578      3.299586      4.269587
  N      -5.951986      3.229087      3.571336
  H      -5.848274      2.694433      2.660062
98
Coordinates from ORCA-job orca E -6258.365084979499
  N      -2.486108      1.777689      4.706371
  Mo     -3.530413      3.270852      5.470820
  N      -4.582465      2.846456      7.058995
  C      -3.889880      2.861680      8.354259
  C      -2.459539      2.373722      8.171755
  N      -1.836232      3.033269      6.991421
  C      -0.781347      2.180117      6.379724
  C      -1.436330      1.133128      5.496130
  C      -1.317258      4.397517      7.300071
  C      -1.399525      5.232609      6.024489
  N      -2.759541      5.083106      5.503225
  H      -0.679181      0.693501      4.821405
  H      -1.845642      0.297357      6.095801
  H      -0.150363      2.829851      5.759893
  H      -0.148607      1.729201      7.161290
  H      -1.176128      6.287576      6.246144
  H      -0.662557      4.892910      5.280100
  H      -1.978144      4.841619      8.056892
  H      -0.298968      4.340598      7.717657
  H      -4.402612      2.189447      9.061756
  H      -3.912336      3.871061      8.803861
  H      -2.485673      1.296082      7.960060
  H      -1.846921      2.534358      9.074455
  C      -3.012382      0.943511      3.619948
  C      -3.923894     -0.209331      4.101374
  C      -5.338771     -0.168168      3.477380
  C      -5.430304      0.088958      1.998208
  N      -5.818122      1.306973      1.615839
  C      -5.988809      1.541488      0.287105
  N      -5.756388      0.709295     -0.701953
  C      -5.308246     -0.535256     -0.350137
  C      -5.022617     -1.478801     -1.365929
  C      -4.607341     -2.749794     -1.029764
  C      -4.468875     -3.131010      0.325661
  C      -4.736552     -2.232533      1.336102
  C      -5.147935     -0.911963      1.022540
  C      -3.633568      6.247248      5.668408
  C      -3.610179      7.200887      4.467319
  C      -4.299293      6.636063      3.226918
  C      -5.802431      6.518041      3.332739
  N      -6.389562      6.938679      4.444701
  C      -7.745815      6.843131      4.517494
  N      -8.570035      6.398101      3.595637
  C      -7.992062      5.959199      2.435361
  C      -8.817438      5.466264      1.397127
  C      -8.253579      5.018973      0.219110
  C      -6.849808      5.029574      0.041227
  C      -6.023034      5.490640      1.045034
  C      -6.574531      5.981003      2.254631
  C      -6.044980      2.706206      7.125244
  C      -6.786648      4.043335      7.224728
  C      -8.312443      3.911780      7.363837
  C      -9.062843      3.614482      6.084956
  N      -8.474902      2.835769      5.185035
  C      -9.131371      2.610700      4.015446
  N     -10.321736      3.050791      3.665933
  C     -10.965670      3.831994      4.583982
  C     -12.248985      4.338290      4.269227
  C     -12.915674      5.144437      5.166817
  C     -12.329835      5.468211      6.412378
  C     -11.081261      4.985514      6.745409
  C     -10.364731      4.160225      5.841559
  H      -2.178934      0.558255      3.006342
  H      -3.582971      1.612328      2.966757
  H      -4.073319     -0.082641      5.184983
  H      -3.445103     -1.187858      3.960244
  H      -5.857747     -1.112742      3.699591
  H      -5.907568      0.631889      3.970312
  H      -6.372941      2.536633      0.049170
  H      -5.151824     -1.172210     -2.403847
  H      -4.390344     -3.477228     -1.814754
  H      -4.152922     -4.147315      0.568748
  H      -4.637521     -2.537197      2.377903
  H      -4.671675      5.917287      5.821418
  H      -3.335979      6.791085      6.582396
  H      -2.567214      7.452239      4.222490
  H      -4.110514      8.131443      4.773190
  H      -4.076159      7.274974      2.356432
  H      -3.872662      5.647725      2.975981
  H      -8.190239      7.177458      5.461395
  H      -9.894481      5.448971      1.562339
  H      -8.892131      4.647741     -0.583622
  H      -6.420690      4.667096     -0.895296
  H      -4.942143      5.467130      0.912589
  H      -6.297513      2.082320      8.001721
  H      -6.401772      2.180033      6.231736
  H      -6.409923      4.597154      8.100466
  H      -6.551395      4.648678      6.335679
  H      -8.552695      3.123647      8.101324
  H      -8.700276      4.845534      7.791251
  H      -8.594164      2.005181      3.276223
  H     -12.678026      4.075803      3.301488
  H     -13.901868      5.540689      4.917111
  H     -12.870644      6.106362      7.113481
  H     -10.651859      5.240291      7.714064
  N      -4.912871      3.312551      4.250679
  N      -5.886000      3.237510      3.539947
  H      -5.792275      2.641183      2.650507
98
Coordinates from ORCA-job orca E -6258.366218385645
  N      -2.458891      1.803295      4.674991
  Mo     -3.506404      3.290147      5.452266
  N      -4.573906      2.837609      7.022729
  C      -3.897357      2.845248      8.322583
  C      -2.466263      2.358025      8.149008
  N      -1.830146      3.028624      6.984101
  C      -0.771786      2.187389      6.363926
  C      -1.417177      1.152648      5.463560
  C      -1.310372      4.383611      7.315419
  C      -1.384095      5.235767      6.046725
  N      -2.740493      5.100454      5.514327
  H      -0.658678      0.720651      4.793252
  H      -1.833893      0.313289      6.052836
  H      -0.139567      2.849116      5.752948
  H      -0.139621      1.727280      7.142431
  H      -1.160570      6.286424      6.284298
  H      -0.641499      4.902186      5.301709
  H      -1.973969      4.821424      8.078886
  H      -0.287538      4.314950      7.737546
  H      -4.418527      2.163414      9.020358
  H      -3.927077      3.853377      8.780956
  H      -2.491330      1.280149      7.928326
  H      -1.864183      2.510602      9.060343
  C      -2.991845      0.970377      3.601761
  C      -3.914745     -0.170701      4.096063
  C      -5.335053     -0.119968      3.495148
  C      -5.416080      0.096692      2.009811
  N      -5.737111      1.316504      1.575094
  C      -5.896494      1.519525      0.234915
  N      -5.720880      0.632932     -0.717432
  C      -5.336225     -0.615846     -0.318019
  C      -5.104178     -1.607009     -1.299669
  C      -4.738586     -2.882434     -0.915821
  C      -4.597870     -3.214867      0.455400
  C      -4.817618     -2.266953      1.433681
  C      -5.182465     -0.946123      1.069570
  C      -3.622931      6.259273      5.690423
  C      -3.608082      7.235106      4.503171
  C      -4.298164      6.694326      3.255932
  C      -5.798895      6.580055      3.365294
  N      -6.380426      6.976353      4.489135
  C      -7.738554      6.882356      4.564808
  N      -8.569101      6.458893      3.636613
  C      -7.997243      6.047989      2.464726
  C      -8.832117      5.583175      1.418001
  C      -8.277911      5.165820      0.227516
  C      -6.873460      5.177561      0.045835
  C      -6.035755      5.609919      1.057744
  C      -6.578470      6.071564      2.280125
  C      -6.027752      2.685797      7.077949
  C      -6.771560      4.020315      7.198701
  C      -8.296040      3.874712      7.322859
  C      -9.033890      3.594750      6.037108
  N      -8.423933      2.845875      5.127933
  C      -9.073819      2.619336      3.957583
  N     -10.272792      3.028325      3.612527
  C     -10.939100      3.783194      4.537670
  C     -12.239466      4.254892      4.226862
  C     -12.934534      5.027937      5.135251
  C     -12.358954      5.354205      6.384149
  C     -11.093167      4.907762      6.712256
  C     -10.349547      4.112765      5.799945
  H      -2.153970      0.566224      3.009276
  H      -3.545017      1.637594      2.924418
  H      -4.046749     -0.056923      5.183322
  H      -3.452162     -1.150068      3.937869
  H      -5.866385     -1.053490      3.745014
  H      -5.889050      0.693265      3.978205
  H      -6.230274      2.524339     -0.035265
  H      -5.228692     -1.333468     -2.350140
  H      -4.561174     -3.648188     -1.672527
  H      -4.317029     -4.227615      0.734598
  H      -4.709621     -2.532377      2.487846
  H      -4.657314      5.924644      5.839896
  H      -3.327376      6.791088      6.611701
  H      -2.562759      7.495666      4.257092
  H      -4.114742      8.162147      4.824766
  H      -4.074344      7.350264      2.397395
  H      -3.879094      5.716296      2.987603
  H      -8.178058      7.197181      5.517583
  H      -9.909437      5.561051      1.588367
  H      -8.924595      4.814509     -0.580943
  H      -6.451435      4.843234     -0.902809
  H      -4.950973      5.583567      0.922377
  H      -6.282424      2.040692      7.939688
  H      -6.377179      2.178689      6.168236
  H      -6.406681      4.562556      8.084654
  H      -6.529169      4.638658      6.321246
  H      -8.532313      3.065824      8.037089
  H      -8.697608      4.790298      7.770392
  H      -8.528546      2.038915      3.215353
  H     -12.660656      3.987777      3.257380
  H     -13.931514      5.391828      4.891917
  H     -12.917247      5.960351      7.089186
  H     -10.674795      5.163348      7.684399
  N      -4.882061      3.344336      4.218515
  N      -5.840732      3.280014      3.490175
  H      -5.755449      2.646321      2.575630
98
Coordinates from ORCA-job orca E -6258.367668384622
  N      -2.430618      1.814789      4.681715
  Mo     -3.493496      3.299387      5.447431
  N      -4.569298      2.838596      7.009582
  C      -3.899542      2.855541      8.315936
  C      -2.462198      2.381190      8.156578
  N      -1.824012      3.054808      6.993053
  C      -0.757033      2.215553      6.385205
  C      -1.391393      1.173093      5.484980
  C      -1.315130      4.417261      7.321555
  C      -1.388412      5.264205      6.051127
  N      -2.741430      5.116185      5.514271
  H      -0.621237      0.739918      4.822201
  H      -1.807394      0.333174      6.075001
  H      -0.123319      2.876819      5.778567
  H      -0.129579      1.761230      7.169965
  H      -1.171354      6.318296      6.285556
  H      -0.641694      4.932449      5.311363
  H      -1.984260      4.852535      8.078021
  H      -0.298772      4.359417      7.748226
  H      -4.419095      2.174983      9.012555
  H      -3.938662      3.863875      8.769821
  H      -2.474767      1.303581      7.938881
  H      -1.868077      2.541757      9.071766
  C      -2.945294      0.964618      3.603718
  C      -3.895688     -0.163977      4.080940
  C      -5.314542     -0.086141      3.469777
  C      -5.386741      0.115822      1.981943
  N      -5.667714      1.341654      1.536406
  C      -5.813201      1.539325      0.196312
  N      -5.660890      0.641332     -0.747572
  C      -5.325227     -0.620291     -0.337943
  C      -5.125865     -1.628014     -1.310630
  C      -4.808234     -2.911657     -0.917171
  C      -4.683937     -3.238985      0.454333
  C      -4.871947     -2.276421      1.423935
  C      -5.187503     -0.944864      1.050661
  C      -3.637935      6.260607      5.702158
  C      -3.637128      7.236142      4.516428
  C      -4.319926      6.681427      3.268216
  C      -5.820240      6.537851      3.369517
  N      -6.416932      6.913311      4.492773
  C      -7.771606      6.788400      4.558917
  N      -8.586543      6.354796      3.621958
  C      -7.998918      5.966986      2.449234
  C      -8.815353      5.495989      1.392005
  C      -8.243794      5.105867      0.199075
  C      -6.840356      5.152423      0.024619
  C      -6.020601      5.589617      1.047069
  C      -6.581678      6.023301      2.273273
  C      -6.026706      2.673716      7.056339
  C      -6.786926      3.995291      7.213266
  C      -8.310626      3.832761      7.336111
  C      -9.049461      3.601069      6.039206
  N      -8.438651      2.892049      5.098395
  C      -9.085481      2.717726      3.915818
  N     -10.284821      3.145146      3.585274
  C     -10.950577      3.859335      4.542816
  C     -12.245516      4.350351      4.249590
  C     -12.934993      5.088625      5.188096
  C     -12.360069      5.357355      6.452451
  C     -11.100022      4.887832      6.764529
  C     -10.361592      4.130380      5.820390
  H      -2.093687      0.539603      3.042309
  H      -3.467633      1.624997      2.901504
  H      -4.032402     -0.055559      5.167872
  H      -3.448104     -1.153291      3.918502
  H      -5.867924     -1.003179      3.725492
  H      -5.854531      0.744851      3.942196
  H      -6.098417      2.555733     -0.086463
  H      -5.236549     -1.358527     -2.360962
  H      -4.655885     -3.689243     -1.667861
  H      -4.441827     -4.261936      0.742077
  H      -4.778972     -2.538481      2.477653
  H      -4.668693      5.908063      5.853851
  H      -3.349365      6.795073      6.625542
  H      -2.599724      7.511037      4.270841
  H      -4.153452      8.152158      4.838550
  H      -4.104772      7.336772      2.407105
  H      -3.881387      5.704389      3.003534
  H      -8.223744      7.090483      5.509446
  H      -9.891942      5.450259      1.554671
  H      -8.875900      4.752325     -0.617626
  H      -6.405379      4.841567     -0.926969
  H      -4.938249      5.591598      0.916475
  H      -6.277931      2.006224      7.901174
  H      -6.370766      2.185942      6.136331
  H      -6.424830      4.514271      8.115110
  H      -6.552308      4.642915      6.355261
  H      -8.540821      2.995481      8.020912
  H      -8.718614      4.728826      7.820223
  H      -8.532371      2.164739      3.146836
  H     -12.666104      4.130383      3.267237
  H     -13.930162      5.472839      4.957313
  H     -12.918175      5.942139      7.185131
  H     -10.680863      5.100126      7.748387
  N      -4.863106      3.346441      4.204251
  N      -5.811046      3.267377      3.468544
  H      -5.735143      2.582818      2.593603
98
Coordinates from ORCA-job orca E -6258.366883117911
  N      -2.405724      1.816743      4.687136
  Mo     -3.489983      3.285433      5.451984
  N      -4.556485      2.800342      7.013979
  C      -3.880980      2.828910      8.318156
  C      -2.435735      2.381372      8.155451
  N      -1.817159      3.073233      6.991947
  C      -0.734079      2.256142      6.381211
  C      -1.351489      1.196283      5.489252
  C      -1.338249      4.447744      7.322083
  C      -1.432279      5.296797      6.056276
  N      -2.777826      5.119127      5.514592
  H      -0.571905      0.771946      4.826870
  H      -1.748663      0.350949      6.087185
  H      -0.120613      2.928035      5.770868
  H      -0.091408      1.819073      7.162445
  H      -1.239200      6.355628      6.292162
  H      -0.677939      4.985450      5.320945
  H      -2.010646      4.865642      8.078538
  H      -0.324735      4.412866      7.742664
  H      -4.383214      2.144932      9.019016
  H      -3.932985      3.834558      8.770048
  H      -2.424172      1.306658      7.938150
  H      -1.843265      2.554595      9.068748
  C      -2.914615      0.948123      3.620630
  C      -3.846176     -0.192508      4.107013
  C      -5.291102     -0.111280      3.549536
  C      -5.397856      0.125464      2.072443
  N      -5.627671      1.376177      1.678487
  C      -5.747715      1.641955      0.347517
  N      -5.634821      0.779070     -0.629950
  C      -5.367713     -0.520319     -0.272911
  C      -5.214662     -1.494616     -1.286679
  C      -4.950127     -2.803380     -0.947138
  C      -4.832685     -3.190604      0.408052
  C      -4.979568     -2.260727      1.417106
  C      -5.244759     -0.906696      1.100279
  C      -3.702013      6.237210      5.708313
  C      -3.715381      7.222590      4.532729
  C      -4.374362      6.669240      3.270456
  C      -5.876090      6.492754      3.336174
  N      -6.511881      6.842214      4.448274
  C      -7.863684      6.677988      4.481359
  N      -8.642004      6.223646      3.523820
  C      -8.014461      5.867490      2.359764
  C      -8.788559      5.379235      1.281790
  C      -8.175973      5.023854      0.095900
  C      -6.773464      5.126974     -0.050745
  C      -5.994938      5.579883      0.991607
  C      -6.597361      5.974092      2.213725
  C      -6.012787      2.626030      7.066250
  C      -6.767245      3.951285      7.244657
  C      -8.293683      3.814393      7.365685
  C      -9.023008      3.599651      6.060278
  N      -8.413206      2.881542      5.126015
  C      -9.051358      2.710707      3.938315
  N     -10.241763      3.159958      3.592566
  C     -10.902197      3.891185      4.540881
  C     -12.183332      4.403620      4.233503
  C     -12.869865      5.148614      5.166067
  C     -12.303802      5.408971      6.436517
  C     -11.054656      4.922785      6.760558
  C     -10.322341      4.150971      5.825230
  H      -2.060447      0.520952      3.064340
  H      -3.442585      1.588539      2.910727
  H      -3.937382     -0.120890      5.202424
  H      -3.398285     -1.178238      3.888232
  H      -5.826974     -1.035534      3.800780
  H      -5.822201      0.710035      4.057396
  H      -5.953799      2.684147      0.097847
  H      -5.314332     -1.175999     -2.323843
  H      -4.834348     -3.552871     -1.729057
  H      -4.626953     -4.237741      0.653471
  H      -4.891528     -2.568739      2.457403
  H      -4.723817      5.854513      5.851898
  H      -3.435722      6.772013      6.635885
  H      -2.685044      7.520180      4.299695
  H      -4.249478      8.120866      4.859787
  H      -4.153432      7.336479      2.419849
  H      -3.912974      5.697420      3.002703
  H      -8.349875      6.974047      5.417196
  H      -9.865754      5.293279      1.423046
  H      -8.774438      4.656592     -0.735634
  H      -6.307817      4.847633     -0.999015
  H      -4.915192      5.626101      0.880873
  H      -6.264375      1.949163      7.905045
  H      -6.358394      2.151457      6.141724
  H      -6.393601      4.455909      8.151041
  H      -6.529296      4.607154      6.391479
  H      -8.544276      2.978758      8.046560
  H      -8.691073      4.718065      7.851047
  H      -8.498513      2.127448      3.184040
  H     -12.598915      4.189246      3.247505
  H     -13.860135      5.545453      4.927053
  H     -12.865030      6.005042      7.168682
  H     -10.640091      5.129848      7.748525
  N      -4.857773      3.309256      4.191663
  N      -5.783236      3.224816      3.434713
  H      -5.680079      2.544217      2.544779
98
Coordinates from ORCA-job orca E -6258.369396403506
  N      -2.430694      1.845564      4.663118
  Mo     -3.495200      3.315712      5.450554
  N      -4.564098      2.822738      7.008184
  C      -3.889289      2.841914      8.311253
  C      -2.448330      2.383807      8.143147
  N      -1.823757      3.076555      6.983701
  C      -0.750960      2.256943      6.358979
  C      -1.377591      1.213621      5.455085
  C      -1.328999      4.440948      7.324593
  C      -1.411955      5.296332      6.061160
  N      -2.760495      5.140488      5.520325
  H      -0.603904      0.793476      4.787092
  H      -1.777736      0.364376      6.044397
  H      -0.131882      2.932256      5.754237
  H      -0.110203      1.804572      7.133981
  H      -1.203942      6.351149      6.300598
  H      -0.660915      4.975484      5.322984
  H      -1.998683      4.863130      8.085774
  H      -0.312015      4.389403      7.746773
  H      -4.396506      2.154073      9.008857
  H      -3.935850      3.846604      8.770462
  H      -2.446165      1.308357      7.918864
  H      -1.853303      2.546581      9.057454
  C      -2.942455      0.988780      3.591059
  C      -3.876379     -0.153742      4.068477
  C      -5.323409     -0.075726      3.522565
  C      -5.431717      0.129882      2.039145
  N      -5.671088      1.367019      1.605017
  C      -5.782882      1.597102      0.265083
  N      -5.660376      0.704878     -0.686103
  C      -5.393526     -0.579048     -0.289574
  C      -5.237512     -1.581631     -1.274696
  C      -4.972294     -2.881127     -0.895894
  C      -4.858209     -3.228793      0.471371
  C      -5.007561     -2.271531      1.453126
  C      -5.273753     -0.925970      1.095526
  C      -3.671310      6.269709      5.723827
  C      -3.669660      7.269578      4.557771
  C      -4.318156      6.729113      3.285619
  C      -5.816558      6.554250      3.352536
  N      -6.443175      6.891681      4.472552
  C      -7.793249      6.719310      4.516531
  N      -8.576551      6.259891      3.566001
  C      -7.957989      5.910409      2.396424
  C      -8.739989      5.404738      1.330364
  C      -8.137700      5.049267      0.140288
  C      -6.737689      5.173227     -0.023158
  C      -5.950633      5.647912      1.006670
  C      -6.543545      6.034958      2.235349
  C      -6.016405      2.635564      7.059903
  C      -6.783996      3.950137      7.247630
  C      -8.308264      3.793698      7.368151
  C      -9.034486      3.559926      6.065275
  N      -8.415104      2.836987      5.140840
  C      -9.049357      2.644423      3.955644
  N     -10.240888      3.076166      3.601636
  C     -10.910441      3.814176      4.537504
  C     -12.193150      4.316837      4.215581
  C     -12.890942      5.071472      5.134740
  C     -12.334353      5.349201      6.405108
  C     -11.083904      4.872771      6.743362
  C     -10.339196      4.095361      5.820997
  H      -2.082849      0.560144      3.045093
  H      -3.461766      1.634813      2.874788
  H      -3.959670     -0.100509      5.164953
  H      -3.432692     -1.132617      3.834470
  H      -5.857155     -0.997531      3.795124
  H      -5.852677      0.749391      4.019333
  H      -5.997473      2.631630     -0.013110
  H      -5.334565     -1.294182     -2.321930
  H      -4.852413     -3.654676     -1.655668
  H      -4.653675     -4.265161      0.746846
  H      -4.923185     -2.549998      2.503612
  H      -4.697855      5.898826      5.858605
  H      -3.400988      6.789581      6.659810
  H      -2.633160      7.565898      4.336750
  H      -4.206387      8.170484      4.888148
  H      -4.094109      7.400629      2.439602
  H      -3.858256      5.762295      3.014187
  H      -8.270779      6.998214      5.462189
  H      -9.814374      5.300903      1.487241
  H      -8.742216      4.666313     -0.682818
  H      -6.280616      4.893768     -0.975123
  H      -4.870299      5.715028      0.880238
  H      -6.260637      1.945668      7.889707
  H      -6.357808      2.167473      6.129374
  H      -6.416939      4.456988      8.154539
  H      -6.553727      4.609193      6.395819
  H      -8.546999      2.955499      8.048997
  H      -8.716961      4.690855      7.851271
  H      -8.491555      2.066647      3.210604
  H     -12.600183      4.089064      3.229427
  H     -13.879567      5.461390      4.884533
  H     -12.900169      5.948434      7.122170
  H     -10.676662      5.095654      7.729892
  N      -4.865333      3.369592      4.197367
  N      -5.790557      3.309337      3.439134
  H      -5.720204      2.584637      2.564649
98
Coordinates from ORCA-job orca E -6258.369814238000
  N      -2.393366      1.852932      4.666710
  Mo     -3.469110      3.321002      5.447409
  N      -4.547900      2.818404      6.995240
  C      -3.886414      2.850129      8.304689
  C      -2.441483      2.398319      8.151680
  N      -1.809893      3.089368      6.995610
  C      -0.730801      2.272733      6.378641
  C      -1.347070      1.225990      5.471277
  C      -1.321776      4.455565      7.336227
  C      -1.398526      5.307755      6.067611
  N      -2.743898      5.148952      5.517220
  H      -0.566990      0.806564      4.813385
  H      -1.750910      0.377921      6.059088
  H      -0.109771      2.950301      5.776085
  H      -0.092887      1.823164      7.158199
  H      -1.192587      6.363109      6.304995
  H      -0.641489      4.984689      5.334373
  H      -1.998822      4.878269      8.093692
  H      -0.304439      4.407856      7.766556
  H      -4.397661      2.162933      9.002699
  H      -3.941959      3.858502      8.757540
  H      -2.432103      1.321091      7.931867
  H      -1.856008      2.567677      9.071040
  C      -2.889955      0.992950      3.593021
  C      -3.855550     -0.126298      4.063454
  C      -5.305831      0.006049      3.540883
  C      -5.421346      0.194878      2.055745
  N      -5.613603      1.431687      1.592447
  C      -5.729590      1.640837      0.248519
  N      -5.660653      0.721057     -0.681755
  C      -5.449319     -0.562545     -0.259084
  C      -5.356926     -1.592657     -1.223352
  C      -5.147000     -2.895429     -0.818313
  C      -5.028080     -3.217463      0.555724
  C      -5.117019     -2.233026      1.517800
  C      -5.325294     -0.884400      1.132543
  C      -3.666412      6.268690      5.729677
  C      -3.675379      7.280249      4.573435
  C      -4.316310      6.745723      3.295876
  C      -5.812360      6.559159      3.359532
  N      -6.441355      6.874505      4.483880
  C      -7.791421      6.695381      4.522906
  N      -8.572456      6.247089      3.564250
  C      -7.951456      5.920305      2.390373
  C      -8.732039      5.431059      1.314154
  C      -8.128805      5.102456      0.118603
  C      -6.728479      5.236567     -0.040268
  C      -5.942254      5.693533      0.999981
  C      -6.536767      6.055443      2.233590
  C      -5.995190      2.612342      7.033852
  C      -6.778770      3.915368      7.232866
  C      -8.300856      3.733883      7.337634
  C      -9.017029      3.510736      6.027484
  N      -8.387635      2.802584      5.097802
  C      -9.017580      2.614371      3.910407
  N     -10.211000      3.037108      3.556535
  C     -10.890175      3.762380      4.495921
  C     -12.177609      4.256826      4.174461
  C     -12.886416      4.997271      5.098064
  C     -12.336978      5.267724      6.372446
  C     -11.082778      4.799242      6.710804
  C     -10.326223      4.037079      5.783743
  H      -2.023448      0.542492      3.077833
  H      -3.378848      1.640445      2.853022
  H      -3.921207     -0.094330      5.161957
  H      -3.451574     -1.112854      3.802928
  H      -5.868691     -0.893933      3.831184
  H      -5.797477      0.851263      4.039004
  H      -5.907557      2.677589     -0.046711
  H      -5.456894     -1.324359     -2.276346
  H      -5.075774     -3.691033     -1.561340
  H      -4.868775     -4.253810      0.851628
  H      -5.029002     -2.492108      2.573805
  H      -4.689308      5.888684      5.861759
  H      -3.399890      6.783158      6.670082
  H      -2.639821      7.589685      4.355187
  H      -4.222912      8.174283      4.912029
  H      -4.095449      7.426205      2.456189
  H      -3.850277      5.787105      3.017996
  H      -8.271009      6.956847      5.472190
  H      -9.806192      5.319335      1.467426
  H      -8.732446      4.732102     -0.712625
  H      -6.269988      4.979091     -0.996732
  H      -4.860177      5.767118      0.876939
  H      -6.237545      1.906341      7.850910
  H      -6.324616      2.155377      6.092764
  H      -6.427134      4.413987      8.149634
  H      -6.548050      4.589012      6.393131
  H      -8.530093      2.880028      8.001330
  H      -8.726402      4.613907      7.834248
  H      -8.455606      2.049072      3.163021
  H     -12.578934      4.033672      3.185321
  H     -13.876576      5.379296      4.848195
  H     -12.909304      5.851464      7.091265
  H     -10.682133      5.015363      7.700786
  N      -4.833930      3.359318      4.184544
  N      -5.748631      3.283460      3.418082
  H      -5.679348      2.519396      2.545531
98
Coordinates from ORCA-job orca E -6258.370810787854
  N      -2.399656      1.879018      4.651061
  Mo     -3.478140      3.335368      5.450214
  N      -4.545586      2.808429      6.998647
  C      -3.876167      2.836742      8.305077
  C      -2.427561      2.400346      8.140508
  N      -1.811141      3.109119      6.986393
  C      -0.727187      2.309968      6.355164
  C      -1.338013      1.261680      5.445225
  C      -1.335614      4.478004      7.336898
  C      -1.422612      5.338702      6.075624
  N      -2.766197      5.170333      5.524439
  H      -0.555502      0.855488      4.779885
  H      -1.725139      0.404513      6.031478
  H      -0.119578      2.999232      5.753701
  H      -0.077559      1.862441      7.125844
  H      -1.225111      6.394562      6.319229
  H      -0.663167      5.027769      5.340547
  H      -2.014271      4.887637      8.098589
  H      -0.318181      4.437595      7.763748
  H      -4.375996      2.141591      9.002248
  H      -3.936375      3.840640      8.765658
  H      -2.406642      1.325823      7.911686
  H      -1.838501      2.568945      9.057742
  C      -2.885708      1.013505      3.574952
  C      -3.828269     -0.128712      4.035501
  C      -5.295700      0.002210      3.558547
  C      -5.439586      0.188026      2.076338
  N      -5.618042      1.427047      1.614592
  C      -5.727381      1.643159      0.271482
  N      -5.673640      0.724084     -0.659422
  C      -5.492625     -0.566209     -0.238743
  C      -5.428573     -1.597061     -1.204397
  C      -5.246602     -2.904378     -0.802062
  C      -5.127796     -3.230647      0.570098
  C      -5.189040     -2.245661      1.533658
  C      -5.369450     -0.892512      1.151540
  C      -3.699256      6.277241      5.754175
  C      -3.709250      7.312892      4.620068
  C      -4.320282      6.794903      3.320710
  C      -5.813266      6.575565      3.355283
  N      -6.467076      6.856496      4.474609
  C      -7.810651      6.633689      4.493322
  N      -8.561936      6.160542      3.523364
  C      -7.914764      5.866502      2.354560
  C      -8.661341      5.345839      1.269870
  C      -8.031801      5.051593      0.078100
  C      -6.639095      5.257994     -0.069832
  C      -5.885528      5.746909      0.978821
  C      -6.506446      6.065935      2.211927
  C      -5.990757      2.584266      7.040989
  C      -6.785756      3.877530      7.261667
  C      -8.307954      3.692236      7.361209
  C      -9.017980      3.477700      6.045034
  N      -8.392249      2.759428      5.120128
  C      -9.016931      2.576237      3.929054
  N     -10.200604      3.018868      3.563974
  C     -10.873740      3.758202      4.496321
  C     -12.146974      4.278129      4.161960
  C     -12.849599      5.032200      5.078393
  C     -12.308160      5.291552      6.358624
  C     -11.067393      4.798747      6.709482
  C     -10.316897      4.022789      5.789502
  H      -2.011416      0.576520      3.060313
  H      -3.384383      1.652472      2.835581
  H      -3.857208     -0.139743      5.135895
  H      -3.425658     -1.101845      3.721553
  H      -5.844717     -0.900276      3.863504
  H      -5.777225      0.846500      4.068719
  H      -5.876650      2.684153     -0.025462
  H      -5.528029     -1.325138     -2.255841
  H      -5.197847     -3.700293     -1.546613
  H      -4.990659     -4.271834      0.864138
  H      -5.103590     -2.508503      2.588196
  H      -4.719611      5.883489      5.870070
  H      -3.445535      6.775588      6.706842
  H      -2.676698      7.643322      4.424852
  H      -4.275392      8.189314      4.969809
  H      -4.096920      7.494991      2.498169
  H      -3.831598      5.848439      3.031907
  H      -8.312349      6.876174      5.436082
  H      -9.730010      5.182835      1.414736
  H      -8.608714      4.656504     -0.759841
  H      -6.161221      5.030183     -1.024669
  H      -4.809876      5.882982      0.860956
  H      -6.224866      1.863061      7.847086
  H      -6.318727      2.139847      6.094419
  H      -6.435053      4.363234      8.186010
  H      -6.558949      4.565630      6.432139
  H      -8.540432      2.833661      8.018173
  H      -8.735509      4.569285      7.862713
  H      -8.457027      1.994982      3.189842
  H     -12.542442      4.063812      3.168432
  H     -13.829815      5.434549      4.818455
  H     -12.877230      5.887584      7.072708
  H     -10.670983      5.007805      7.703007
  N      -4.848489      3.384072      4.186470
  N      -5.755003      3.323405      3.412909
  H      -5.692949      2.551072      2.529377
98
Coordinates from ORCA-job orca E -6258.371362705261
  N      -2.417146      1.891972      4.650773
  Mo     -3.484739      3.346639      5.469170
  N      -4.536524      2.810604      7.026042
  C      -3.855469      2.844926      8.326874
  C      -2.407012      2.412360      8.148563
  N      -1.805564      3.124320      6.987643
  C      -0.727838      2.327968      6.342036
  C      -1.345688      1.278066      5.437107
  C      -1.330670      4.495653      7.334138
  C      -1.430819      5.358450      6.074817
  N      -2.777006      5.184713      5.530917
  H      -0.565463      0.874324      4.765837
  H      -1.723577      0.419038      6.026871
  H      -0.129901      3.019547      5.734361
  H      -0.066947      1.881263      7.103392
  H      -1.234029      6.415000      6.317679
  H      -0.674707      5.051562      5.334739
  H      -2.003217      4.901949      8.102435
  H      -0.309881      4.458891      7.751074
  H      -4.346798      2.152237      9.032187
  H      -3.910847      3.850119      8.785087
  H      -2.383167      1.338084      7.919557
  H      -1.809392      2.583964      9.059733
  C      -2.891340      1.030371      3.563458
  C      -3.821523     -0.129848      4.001602
  C      -5.308840      0.014102      3.585148
  C      -5.499261      0.216335      2.110000
  N      -5.705668      1.457522      1.663315
  C      -5.835336      1.692189      0.325771
  N      -5.782311      0.785439     -0.616185
  C      -5.588940     -0.509414     -0.213632
  C      -5.534786     -1.528026     -1.192668
  C      -5.338561     -2.838915     -0.810054
  C      -5.193845     -3.181314      0.554948
  C      -5.243222     -2.208767      1.531545
  C      -5.440099     -0.852241      1.170241
  C      -3.715313      6.283756      5.775775
  C      -3.731284      7.334305      4.656686
  C      -4.317516      6.822203      3.342782
  C      -5.807683      6.575889      3.351820
  N      -6.486157      6.845880      4.458744
  C      -7.824597      6.594616      4.455822
  N      -8.548161      6.095443      3.477790
  C      -7.875396      5.811682      2.321137
  C      -8.590641      5.261655      1.229751
  C      -7.935282      4.979083      0.048897
  C      -6.547585      5.228759     -0.081459
  C      -5.824497      5.746319      0.974598
  C      -6.471540      6.051149      2.197430
  C      -5.979216      2.573586      7.075434
  C      -6.780785      3.863850      7.287139
  C      -8.303238      3.678459      7.377937
  C      -9.001859      3.433742      6.059835
  N      -8.381870      2.670690      5.166926
  C      -9.001880      2.451726      3.978750
  N     -10.173793      2.902924      3.585734
  C     -10.838442      3.691634      4.482690
  C     -12.098438      4.222298      4.118172
  C     -12.795382      5.019538      5.000963
  C     -12.261040      5.314091      6.276883
  C     -11.032320      4.813205      6.656095
  C     -10.288179      3.991898      5.771170
  H      -2.008843      0.606216      3.051092
  H      -3.393052      1.669303      2.826510
  H      -3.804306     -0.201417      5.099720
  H      -3.435695     -1.085861      3.618226
  H      -5.840994     -0.895387      3.896367
  H      -5.773957      0.848514      4.125473
  H      -5.995011      2.736388      0.043991
  H      -5.653934     -1.243827     -2.238317
  H      -5.298543     -3.625253     -1.565113
  H      -5.045119     -4.225914      0.833648
  H      -5.137314     -2.484418      2.580324
  H      -4.733785      5.881016      5.883134
  H      -3.466303      6.771593      6.735825
  H      -2.702803      7.684045      4.477827
  H      -4.314491      8.195585      5.012885
  H      -4.091018      7.533498      2.530803
  H      -3.809842      5.884771      3.051196
  H      -8.348837      6.839597      5.385263
  H      -9.656125      5.069116      1.361123
  H      -8.487324      4.560454     -0.794124
  H      -6.049570      5.009815     -1.027967
  H      -4.753410      5.918445      0.869113
  H      -6.208152      1.853905      7.884254
  H      -6.306423      2.123600      6.131765
  H      -6.434096      4.355424      8.210055
  H      -6.552051      4.548018      6.454482
  H      -8.541689      2.834374      8.051272
  H      -8.733547      4.566425      7.856891
  H      -8.449385      1.821368      3.270944
  H     -12.489568      3.979313      3.129263
  H     -13.767208      5.428705      4.718049
  H     -12.827751      5.943690      6.966077
  H     -10.640522      5.048858      7.645908
  N      -4.866538      3.400133      4.211788
  N      -5.764562      3.348969      3.434566
  H      -5.700785      2.552089      2.539308
98
Coordinates from ORCA-job orca E -6258.372374212929
  N      -2.408065      1.893895      4.655511
  Mo     -3.481002      3.345777      5.475192
  N      -4.526650      2.803587      7.034930
  C      -3.844789      2.848833      8.334908
  C      -2.392811      2.427326      8.155909
  N      -1.800117      3.140763      6.991144
  C      -0.718465      2.351076      6.344391
  C      -1.329882      1.292923      5.444495
  C      -1.334154      4.516272      7.332756
  C      -1.440573      5.375446      6.071031
  N      -2.785086      5.190347      5.525910
  H      -0.546070      0.893967      4.774982
  H      -1.698455      0.432944      6.038487
  H      -0.128993      3.045726      5.731800
  H      -0.050395      1.911822      7.104059
  H      -1.249873      6.433712      6.311127
  H      -0.682175      5.072084      5.331657
  H      -2.009260      4.919601      8.100705
  H      -0.312518      4.488187      7.749564
  H      -4.330190      2.156915      9.045217
  H      -3.905079      3.856020      8.788371
  H      -2.359847      1.352626      7.929998
  H      -1.794999      2.607127      9.065342
  C      -2.857627      1.027901      3.562202
  C      -3.775124     -0.148175      3.980625
  C      -5.273600      0.011506      3.612706
  C      -5.495610      0.221586      2.144223
  N      -5.684424      1.467478      1.701818
  C      -5.832265      1.713607      0.368382
  N      -5.812832      0.809395     -0.576659
  C      -5.642639     -0.491021     -0.181562
  C      -5.629818     -1.506260     -1.165126
  C      -5.459077     -2.823454     -0.791218
  C      -5.298568     -3.175067      0.569667
  C      -5.306468     -2.205787      1.550899
  C      -5.476809     -0.843308      1.198652
  C      -3.736138      6.274688      5.787128
  C      -3.763450      7.342803      4.685512
  C      -4.335303      6.843354      3.360661
  C      -5.821996      6.577631      3.354545
  N      -6.513664      6.825131      4.458225
  C      -7.849580      6.559602      4.438999
  N      -8.557662      6.060550      3.449058
  C      -7.870964      5.799985      2.295173
  C      -8.568438      5.252672      1.190470
  C      -7.899769      4.998369      0.010979
  C      -6.515613      5.273409     -0.105228
  C      -5.809472      5.786156      0.964818
  C      -6.470043      6.062386      2.186413
  C      -5.966661      2.555796      7.084312
  C      -6.778710      3.840185      7.295089
  C      -8.300010      3.642789      7.376555
  C      -8.990521      3.395289      6.055134
  N      -8.373243      2.616749      5.173344
  C      -8.987483      2.395420      3.982813
  N     -10.149475      2.859400      3.575850
  C     -10.811197      3.664320      4.460864
  C     -12.061501      4.208889      4.082154
  C     -12.754607      5.023300      4.951945
  C     -12.226870      5.321522      6.229577
  C     -11.008484      4.806803      6.623051
  C     -10.267481      3.967831      5.751193
  H      -1.963324      0.616690      3.060193
  H      -3.359514      1.661386      2.819728
  H      -3.722741     -0.267447      5.073271
  H      -3.405448     -1.087174      3.542276
  H      -5.801216     -0.898131      3.931593
  H      -5.716994      0.844699      4.171661
  H      -5.973772      2.762697      0.095638
  H      -5.761156     -1.214550     -2.207285
  H      -5.452260     -3.607075     -1.550112
  H      -5.171038     -4.223685      0.841791
  H      -5.189168     -2.489171      2.596436
  H      -4.750283      5.858994      5.886214
  H      -3.493997      6.751281      6.754649
  H      -2.739302      7.710777      4.516603
  H      -4.360287      8.189613      5.053837
  H      -4.111409      7.570355      2.561832
  H      -3.814701      5.916953      3.058771
  H      -8.386669      6.791039      5.364616
  H      -9.631834      5.043160      1.309661
  H      -8.438377      4.582458     -0.842212
  H      -6.006403      5.076680     -1.050492
  H      -4.741136      5.979001      0.870084
  H      -6.191641      1.833734      7.892151
  H      -6.290917      2.104041      6.140338
  H      -6.440492      4.330604      8.221723
  H      -6.549819      4.529839      6.466777
  H      -8.535816      2.796324      8.047732
  H      -8.737823      4.527714      7.853983
  H      -8.438886      1.750001      3.286085
  H     -12.447552      3.962777      3.092072
  H     -13.717995      5.443056      4.657127
  H     -12.790227      5.964223      6.908547
  H     -10.621726      5.044559      7.614058
  N      -4.868728      3.394700      4.214764
  N      -5.760212      3.344066      3.434248
  H      -5.709275      2.514017      2.524555
98
Coordinates from ORCA-job orca E -6258.372479661157
  N      -2.376414      1.870412      4.677633
  Mo     -3.463350      3.325000      5.479873
  N      -4.511365      2.791858      7.042716
  C      -3.838117      2.857288      8.344895
  C      -2.380871      2.447333      8.177199
  N      -1.790214      3.151198      7.005629
  C      -0.700538      2.361972      6.372942
  C      -1.299291      1.287945      5.483857
  C      -1.334485      4.532592      7.332232
  C      -1.441490      5.379332      6.061125
  N      -2.781299      5.177691      5.509069
  H      -0.507916      0.888474      4.826558
  H      -1.663922      0.433440      6.087202
  H      -0.115432      3.053189      5.751220
  H      -0.030199      1.936448      7.139206
  H      -1.258950      6.440268      6.293336
  H      -0.677732      5.076108      5.326966
  H      -2.016717      4.938550      8.093597
  H      -0.313155      4.516574      7.755308
  H      -4.322361      2.171640      9.062514
  H      -3.906528      3.870290      8.784943
  H      -2.337690      1.370507      7.963288
  H      -1.788358      2.642869      9.086556
  C      -2.788067      0.995620      3.582993
  C      -3.700445     -0.186829      3.981075
  C      -5.200718      0.010306      3.649414
  C      -5.441258      0.234787      2.189186
  N      -5.588942      1.488092      1.751724
  C      -5.766519      1.754352      0.425929
  N      -5.802957      0.856967     -0.524107
  C      -5.665557     -0.450773     -0.140932
  C      -5.710883     -1.457181     -1.131615
  C      -5.581735     -2.783709     -0.771377
  C      -5.405632     -3.152164      0.584043
  C      -5.355918     -2.190822      1.572768
  C      -5.480775     -0.820352      1.234265
  C      -3.750445      6.244488      5.777724
  C      -3.795953      7.319799      4.684053
  C      -4.369615      6.825675      3.359420
  C      -5.855163      6.557815      3.352737
  N      -6.549199      6.798310      4.456047
  C      -7.889716      6.550144      4.426207
  N      -8.599800      6.075060      3.424290
  C      -7.910678      5.823901      2.269827
  C      -8.609512      5.311963      1.147765
  C      -7.939246      5.075909     -0.033415
  C      -6.549516      5.325765     -0.134284
  C      -5.842174      5.797454      0.954545
  C      -6.504967      6.064747      2.174845
  C      -5.949404      2.541747      7.085165
  C      -6.772312      3.823697      7.279359
  C      -8.291612      3.606841      7.351044
  C      -8.980133      3.359087      6.030971
  N      -8.369637      2.570227      5.153208
  C      -8.984017      2.356179      3.962089
  N     -10.137873      2.834440      3.550749
  C     -10.795831      3.646144      4.433810
  C     -12.042449      4.201949      4.053410
  C     -12.728535      5.027063      4.918480
  C     -12.199021      5.325155      6.194665
  C     -10.986704      4.798069      6.590970
  C     -10.250979      3.947050      5.723425
  H      -1.881324      0.595640      3.096652
  H      -3.286461      1.622409      2.829633
  H      -3.625529     -0.343185      5.067545
  H      -3.353410     -1.113901      3.500449
  H      -5.744581     -0.890806      3.969094
  H      -5.608625      0.850350      4.223789
  H      -5.886033      2.810193      0.174749
  H      -5.855346     -1.151322     -2.168831
  H      -5.621918     -3.559782     -1.536479
  H      -5.313102     -4.205222      0.846181
  H      -5.227218     -2.488139      2.613924
  H      -4.758501      5.815609      5.875417
  H      -3.513698      6.719643      6.746486
  H      -2.776296      7.702308      4.511202
  H      -4.400656      8.157600      5.062896
  H      -4.151852      7.564359      2.569088
  H      -3.847581      5.906813      3.048272
  H      -8.430291      6.774424      5.351982
  H      -9.677277      5.121572      1.251927
  H      -8.480521      4.689598     -0.899252
  H      -6.035403      5.139874     -1.078654
  H      -4.768568      5.964407      0.875702
  H      -6.176407      1.827955      7.900156
  H      -6.268125      2.076486      6.144603
  H      -6.448254      4.318981      8.208345
  H      -6.540992      4.516169      6.453852
  H      -8.517533      2.756594      8.020405
  H      -8.738551      4.487174      7.828276
  H      -8.444412      1.706346      3.266833
  H     -12.429149      3.955864      3.063930
  H     -13.685731      5.454490      4.620201
  H     -12.754186      5.975281      6.869182
  H     -10.599772      5.033963      7.581211
  N      -4.855742      3.356606      4.206482
  N      -5.740596      3.295125      3.423783
  H      -5.710851      2.407182      2.476272
98
Coordinates from ORCA-job orca E -6258.373767283583
  N      -2.377903      1.909311      4.649042
  Mo     -3.469523      3.347480      5.476907
  N      -4.508939      2.781661      7.034105
  C      -3.832147      2.836370      8.335906
  C      -2.371567      2.441810      8.159006
  N      -1.790898      3.167663      6.995316
  C      -0.697821      2.397131      6.346332
  C      -1.291235      1.329176      5.445933
  C      -1.346244      4.548937      7.339640
  C      -1.462541      5.411313      6.079913
  N      -2.801559      5.205203      5.526344
  H      -0.497558      0.944488      4.781176
  H      -1.645037      0.464002      6.040355
  H      -0.122172      3.102257      5.731555
  H      -0.019784      1.967236      7.103146
  H      -1.287788      6.470973      6.325488
  H      -0.696830      5.123872      5.340847
  H      -2.030500      4.938742      8.107835
  H      -0.324399      4.536412      7.760552
  H      -4.308619      2.137775      9.046310
  H      -3.907132      3.843192      8.789284
  H      -2.318695      1.368372      7.929422
  H      -1.778085      2.630088      9.069430
  C      -2.773144      1.040352      3.538571
  C      -3.659182     -0.172591      3.909621
  C      -5.174061      0.010073      3.637391
  C      -5.463424      0.205584      2.179775
  N      -5.624131      1.447803      1.712251
  C      -5.824883      1.679827      0.383443
  N      -5.874324      0.757907     -0.542375
  C      -5.733221     -0.538950     -0.127990
  C      -5.798979     -1.571000     -1.091247
  C      -5.666130     -2.888120     -0.699855
  C      -5.464850     -3.222093      0.660205
  C      -5.393080     -2.236175      1.622301
  C      -5.522051     -0.873417      1.251878
  C      -3.780744      6.254791      5.825456
  C      -3.835621      7.360451      4.763213
  C      -4.382860      6.890164      3.417916
  C      -5.861163      6.586687      3.384979
  N      -6.574197      6.782145      4.484649
  C      -7.905879      6.496505      4.432646
  N      -8.589338      6.019909      3.413294
  C      -7.880347      5.814877      2.262099
  C      -8.550558      5.303305      1.122417
  C      -7.860820      5.114871     -0.056150
  C      -6.479618      5.415429     -0.137389
  C      -5.799222      5.888253      0.968397
  C      -6.482788      6.104378      2.187640
  C      -5.945126      2.516616      7.076825
  C      -6.780095      3.785594      7.295052
  C      -8.297696      3.554967      7.354673
  C      -8.976481      3.330819      6.024398
  N      -8.368312      2.541769      5.144946
  C      -8.972072      2.348673      3.944575
  N     -10.113079      2.849696      3.524132
  C     -10.768038      3.662531      4.408209
  C     -12.000225      4.242524      4.018899
  C     -12.682056      5.070832      4.884127
  C     -12.163266      5.346279      6.170262
  C     -10.965603      4.793830      6.575989
  C     -10.234054      3.940713      5.707962
  H      -1.853683      0.666557      3.053804
  H      -3.280017      1.666427      2.790415
  H      -3.543223     -0.376392      4.984368
  H      -3.318272     -1.073382      3.378073
  H      -5.694759     -0.893361      3.987267
  H      -5.571341      0.851243      4.216636
  H      -5.944181      2.730110      0.104960
  H      -5.962741     -1.292223     -2.132466
  H      -5.722609     -3.684275     -1.443712
  H      -5.370755     -4.268448      0.947543
  H      -5.246221     -2.507261      2.667483
  H      -4.784772      5.811462      5.906630
  H      -3.551901      6.704271      6.809345
  H      -2.822519      7.767473      4.612888
  H      -4.460088      8.174658      5.159421
  H      -4.170541      7.651817      2.648326
  H      -3.836218      5.989982      3.090748
  H      -8.463561      6.688247      5.355216
  H      -9.612569      5.076742      1.211252
  H      -8.379873      4.728973     -0.935871
  H      -5.950779      5.267720     -1.080256
  H      -4.732330      6.099179      0.902210
  H      -6.162771      1.785142      7.878055
  H      -6.262670      2.066074      6.129316
  H      -6.464051      4.263322      8.235936
  H      -6.550973      4.497463      6.485950
  H      -8.521621      2.688763      8.004148
  H      -8.752710      4.421126      7.849097
  H      -8.434629      1.692886      3.250288
  H     -12.378774      4.014010      3.021834
  H     -13.628061      5.519022      4.578373
  H     -12.715868      5.999363      6.845313
  H     -10.586840      5.012024      7.573892
  N      -4.864003      3.391162      4.208311
  N      -5.745700      3.336965      3.423617
  H      -5.705459      2.452494      2.478202
98
Coordinates from ORCA-job orca E -6258.374211414627
  N      -2.398476      1.911075      4.646874
  Mo     -3.475950      3.355233      5.480183
  N      -4.507152      2.794771      7.044579
  C      -3.822898      2.855794      8.341823
  C      -2.364292      2.457729      8.157232
  N      -1.790848      3.178319      6.986318
  C      -0.704505      2.403555      6.330619
  C      -1.306280      1.333763      5.438329
  C      -1.339750      4.558983      7.323051
  C      -1.458063      5.414953      6.059806
  N      -2.799727      5.212021      5.512428
  H      -0.516696      0.946193      4.770214
  H      -1.655339      0.470879      6.039020
  H      -0.133036      3.105830      5.709017
  H      -0.020558      1.974631      7.082733
  H      -1.276725      6.475237      6.297996
  H      -0.696449      5.119895      5.319820
  H      -2.018839      4.954496      8.092550
  H      -0.316252      4.544660      7.739195
  H      -4.295221      2.162044      9.059422
  H      -3.892808      3.864768      8.790829
  H      -2.313287      1.383315      7.932210
  H      -1.764514      2.649991      9.062801
  C      -2.788578      1.043947      3.534496
  C      -3.664372     -0.178230      3.898169
  C      -5.187444      0.001213      3.669636
  C      -5.505052      0.204141      2.220094
  N      -5.672219      1.450774      1.767589
  C      -5.872422      1.700014      0.441477
  N      -5.919566      0.788606     -0.494803
  C      -5.783295     -0.513521     -0.095040
  C      -5.853192     -1.533777     -1.070454
  C      -5.722973     -2.855776     -0.694999
  C      -5.519062     -3.206335      0.660343
  C      -5.441700     -2.232422      1.634026
  C      -5.569241     -0.864772      1.280489
  C      -3.774259      6.260930      5.827919
  C      -3.827520      7.381179      4.781063
  C      -4.367823      6.926145      3.428152
  C      -5.843148      6.612289      3.388785
  N      -6.559174      6.788277      4.489977
  C      -7.886645      6.484824      4.435054
  N      -8.561215      6.000735      3.413614
  C      -7.848506      5.813863      2.261311
  C      -8.508061      5.290849      1.120746
  C      -7.815311      5.122641     -0.059528
  C      -6.442693      5.458755     -0.142722
  C      -5.772025      5.943249      0.963752
  C      -6.457721      6.132902      2.186688
  C      -5.940319      2.517642      7.093151
  C      -6.786394      3.780355      7.305173
  C      -8.301991      3.537722      7.363999
  C      -8.971044      3.286136      6.034188
  N      -8.360032      2.470053      5.181103
  C      -8.953528      2.249539      3.980527
  N     -10.085911      2.748920      3.535242
  C     -10.743078      3.589216      4.391487
  C     -11.966296      4.168738      3.974459
  C     -12.650410      5.024644      4.810569
  C     -12.142907      5.329157      6.094545
  C     -10.954380      4.777821      6.527257
  C     -10.220504      3.896945      5.689256
  H      -1.864869      0.674350      3.054359
  H      -3.296037      1.666329      2.784055
  H      -3.514385     -0.421334      4.960368
  H      -3.338169     -1.057226      3.321883
  H      -5.693293     -0.907323      4.027085
  H      -5.574932      0.837595      4.261204
  H      -5.984607      2.753722      0.172514
  H      -6.018316     -1.242178     -2.107760
  H      -5.783156     -3.642783     -1.448528
  H      -5.427079     -4.256374      0.935116
  H      -5.293520     -2.517105      2.675390
  H      -4.779345      5.819141      5.904483
  H      -3.542935      6.696636      6.817309
  H      -2.814907      7.792705      4.640530
  H      -4.455363      8.188559      5.185836
  H      -4.157430      7.697777      2.668073
  H      -3.815167      6.032727      3.091896
  H      -8.448502      6.664380      5.357784
  H      -9.564699      5.040629      1.210374
  H      -8.326102      4.728647     -0.940367
  H      -5.913037      5.330518     -1.088285
  H      -4.712485      6.187427      0.893723
  H      -6.150628      1.788326      7.898341
  H      -6.256396      2.058748      6.149383
  H      -6.474574      4.266378      8.243283
  H      -6.563754      4.489085      6.490992
  H      -8.520145      2.677646      8.023581
  H      -8.766442      4.406713      7.844698
  H      -8.413971      1.571329      3.311060
  H     -12.335806      3.917690      2.979436
  H     -13.589511      5.472262      4.483230
  H     -12.697429      6.003933      6.746505
  H     -10.584025      5.018333      7.523121
  N      -4.877084      3.406684      4.213711
  N      -5.755769      3.363218      3.426061
  H      -5.743234      2.445924      2.489354
98
Coordinates from ORCA-job orca E -6258.371933409832
  N      -2.406132      1.872055      4.676345
  Mo     -3.458114      3.343514      5.477749
  N      -4.504213      2.844828      7.050472
  C      -3.827108      2.913732      8.346904
  C      -2.376970      2.483023      8.173909
  N      -1.782687      3.163377      6.989328
  C      -0.712174      2.347134      6.356151
  C      -1.336624      1.277597      5.482103
  C      -1.297120      4.535453      7.298583
  C      -1.387875      5.363013      6.017252
  N      -2.731985      5.185980      5.471363
  H      -0.556634      0.858855      4.825562
  H      -1.712140      0.436355      6.097084
  H      -0.119070      3.020192      5.722412
  H      -0.044498      1.914243      7.121172
  H      -1.180243      6.422458      6.231457
  H      -0.634631      5.031323      5.286609
  H      -1.969658      4.965243      8.054233
  H      -0.277137      4.501644      7.722467
  H      -4.312985      2.238445      9.071231
  H      -3.884871      3.929659      8.779473
  H      -2.350451      1.403857      7.971205
  H      -1.774774      2.680622      9.076397
  C      -2.822207      1.010654      3.583492
  C      -3.743430     -0.157756      3.984733
  C      -5.242730      0.077790      3.688649
  C      -5.514966      0.256071      2.230478
  N      -5.647082      1.505165      1.779664
  C      -5.828197      1.751364      0.448927
  N      -5.870166      0.842925     -0.492139
  C      -5.746568     -0.459919     -0.090397
  C      -5.796383     -1.477879     -1.069706
  C      -5.687638     -2.801568     -0.693328
  C      -5.527689     -3.156042      0.668636
  C      -5.470535     -2.184377      1.646339
  C      -5.571966     -0.814451      1.291687
  C      -3.672923      6.271645      5.765468
  C      -3.693746      7.368068      4.690017
  C      -4.282582      6.907180      3.363138
  C      -5.767098      6.656972      3.379743
  N      -6.434193      6.870014      4.506596
  C      -7.774353      6.619198      4.505006
  N      -8.505558      6.165987      3.509716
  C      -7.843304      5.940334      2.332940
  C      -8.563634      5.446789      1.217464
  C      -7.919425      5.235731      0.015813
  C      -6.536608      5.495855     -0.116817
  C      -5.807359      5.952657      0.963358
  C      -6.442501      6.186418      2.207738
  C      -5.938812      2.570996      7.090555
  C      -6.810288      3.825384      7.250706
  C      -8.318657      3.533094      7.323955
  C      -8.989417      3.226954      6.010664
  N      -8.356167      2.407539      5.175476
  C      -8.941099      2.151903      3.978408
  N     -10.089043      2.609036      3.528851
  C     -10.776803      3.436601      4.374178
  C     -12.025507      3.958341      3.953306
  C     -12.736963      4.809716      4.771860
  C     -12.231155      5.167607      6.041502
  C     -11.020726      4.670393      6.479163
  C     -10.258789      3.793757      5.660092
  H      -1.916992      0.599856      3.105097
  H      -3.314432      1.634738      2.824087
  H      -3.638281     -0.359369      5.061613
  H      -3.419542     -1.067378      3.455854
  H      -5.816664     -0.783988      4.062197
  H      -5.599428      0.964276      4.225060
  H      -5.939963      2.803736      0.186149
  H      -5.929639     -1.182502     -2.111658
  H      -5.731737     -3.585369     -1.451356
  H      -5.454103     -4.206480      0.945318
  H      -5.356681     -2.473927      2.692399
  H      -4.691142      5.870262      5.862567
  H      -3.418759      6.719619      6.740282
  H      -2.667382      7.735759      4.523628
  H      -4.284385      8.211226      5.082519
  H      -4.074368      7.660339      2.583958
  H      -3.772413      5.992446      3.027848
  H      -8.292645      6.804106      5.453766
  H      -9.628476      5.252012      1.339521
  H      -8.479452      4.868769     -0.845794
  H      -6.045451      5.339856     -1.080063
  H      -4.738761      6.138847      0.856849
  H      -6.148667      1.876316      7.926599
  H      -6.241199      2.061291      6.166924
  H      -6.518219      4.350769      8.174356
  H      -6.607180      4.514503      6.414105
  H      -8.494783      2.679720      8.004391
  H      -8.811765      4.397558      7.787226
  H      -8.380963      1.499559      3.312840
  H     -12.389854      3.668248      2.967715
  H     -13.692895      5.212218      4.440303
  H     -12.802277      5.839878      6.677214
  H     -10.654906      4.950717      7.464711
  N      -4.856358      3.382772      4.203729
  N      -5.756130      3.320289      3.427695
  H      -5.744528      2.385194      2.480603
98
Coordinates from ORCA-job orca E -6258.374740488768
  N      -2.412559      1.897214      4.658612
  Mo     -3.477643      3.351826      5.484939
  N      -4.504258      2.815712      7.059971
  C      -3.815974      2.880005      8.353561
  C      -2.361167      2.470388      8.165714
  N      -1.787192      3.174830      6.985276
  C      -0.710253      2.383087      6.333482
  C      -1.325682      1.312760      5.451750
  C      -1.322100      4.553380      7.307688
  C      -1.437364      5.397975      6.037475
  N      -2.783141      5.203905      5.497763
  H      -0.542916      0.911925      4.784641
  H      -1.682986      0.458788      6.060145
  H      -0.133098      3.073436      5.703854
  H      -0.029167      1.952650      7.087458
  H      -1.245232      6.458381      6.264849
  H      -0.682878      5.088971      5.296667
  H      -1.995287      4.962022      8.075158
  H      -0.297868      4.532997      7.721648
  H      -4.289470      2.193002      9.076273
  H      -3.879483      3.891789      8.796436
  H      -2.320329      1.393885      7.950038
  H      -1.755345      2.665920      9.066309
  C      -2.810367      1.035039      3.549078
  C      -3.694097     -0.176433      3.921246
  C      -5.210109      0.018444      3.673496
  C      -5.514899      0.212989      2.220553
  N      -5.683240      1.459527      1.769732
  C      -5.885734      1.706773      0.443279
  N      -5.925004      0.797202     -0.495261
  C      -5.775967     -0.504156     -0.096463
  C      -5.829338     -1.523454     -1.074041
  C      -5.692476     -2.844975     -0.699673
  C      -5.499522     -3.196197      0.657739
  C      -5.437856     -2.223002      1.633513
  C      -5.569199     -0.855806      1.280658
  C      -3.744476      6.266240      5.811162
  C      -3.787771      7.381373      4.757280
  C      -4.344778      6.929738      3.410866
  C      -5.823536      6.633792      3.385879
  N      -6.527287      6.813262      4.494954
  C      -7.858096      6.521190      4.452810
  N      -8.547525      6.050578      3.435202
  C      -7.847738      5.861029      2.274995
  C      -8.522627      5.352263      1.137530
  C      -7.841521      5.178747     -0.048971
  C      -6.465686      5.495390     -0.143087
  C      -5.780464      5.967952      0.959309
  C      -6.453732      6.161804      2.189000
  C      -5.936425      2.532642      7.111042
  C      -6.797339      3.789421      7.297830
  C      -8.309740      3.521228      7.361537
  C      -8.979537      3.248723      6.037208
  N      -8.369946      2.416512      5.198366
  C      -8.959022      2.185041      3.997801
  N     -10.088481      2.682654      3.543434
  C     -10.748064      3.532754      4.388167
  C     -11.971619      4.105403      3.961915
  C     -12.655857      4.975150      4.783483
  C     -12.147777      5.301248      6.061640
  C     -10.960112      4.755625      6.503778
  C     -10.226351      3.859521      5.681439
  H      -1.892319      0.659064      3.064347
  H      -3.318643      1.658902      2.799891
  H      -3.555952     -0.410890      4.987185
  H      -3.364489     -1.061523      3.355650
  H      -5.739280     -0.874095      4.038595
  H      -5.586811      0.873527      4.245908
  H      -6.014574      2.758779      0.179560
  H      -5.988135     -1.231097     -2.112649
  H      -5.739833     -3.630427     -1.455321
  H      -5.403906     -4.245895      0.932599
  H      -5.298299     -2.508719      2.676366
  H      -4.754712      5.839521      5.896514
  H      -3.501936      6.703743      6.795953
  H      -2.770496      7.778756      4.608531
  H      -4.402911      8.199386      5.161295
  H      -4.136766      7.700205      2.648814
  H      -3.803925      6.032131      3.069768
  H      -8.408459      6.693874      5.384219
  H      -9.582091      5.116170      1.232667
  H      -8.365314      4.796962     -0.927285
  H      -5.945405      5.365918     -1.093812
  H      -4.718472      6.199730      0.880961
  H      -6.140911      1.820675      7.933471
  H      -6.247134      2.046334      6.178702
  H      -6.496323      4.294176      8.229770
  H      -6.584016      4.490031      6.474192
  H      -8.508339      2.662631      8.028960
  H      -8.787774      4.386571      7.836205
  H      -8.419022      1.503453      3.335014
  H     -12.340338      3.838157      2.970964
  H     -13.594353      5.417177      4.448491
  H     -12.700437      5.988306      6.701348
  H     -10.590708      5.012640      7.495465
  N      -4.887181      3.396575      4.226660
  N      -5.781606      3.340935      3.453539
  H      -5.769204      2.416846      2.512973
98
Coordinates from ORCA-job orca E -6258.375252834448
  N      -2.395847      1.929127      4.643090
  Mo     -3.473454      3.365386      5.491542
  N      -4.485601      2.795507      7.065377
  C      -3.793832      2.858824      8.358156
  C      -2.334123      2.468393      8.161769
  N      -1.775584      3.192772      6.985963
  C      -0.691854      2.423338      6.319451
  C      -1.297824      1.352563      5.430199
  C      -1.327703      4.574743      7.321845
  C      -1.459435      5.434140      6.062261
  N      -2.803944      5.226393      5.521957
  H      -0.511219      0.966050      4.758412
  H      -1.642400      0.489776      6.033094
  H      -0.129583      3.128551      5.692700
  H       0.001160      1.995213      7.063717
  H      -1.281052      6.494327      6.302867
  H      -0.702089      5.145988      5.315073
  H      -2.003047      4.964472      8.097932
  H      -0.300930      4.564648      7.730846
  H      -4.257606      2.162559      9.078881
  H      -3.865143      3.867456      8.807912
  H      -2.280318      1.394580      7.935168
  H      -1.727251      2.663113      9.061801
  C      -2.773678      1.069093      3.522242
  C      -3.636661     -0.164102      3.873177
  C      -5.163326      0.030796      3.694153
  C      -5.525266      0.222530      2.253143
  N      -5.702445      1.466238      1.794401
  C      -5.959564      1.705671      0.476224
  N      -6.048681      0.786832     -0.448862
  C      -5.898868     -0.512482     -0.042955
  C      -6.011768     -1.541060     -1.005303
  C      -5.879210     -2.860887     -0.622898
  C      -5.631676     -3.200913      0.728100
  C      -5.510633     -2.218317      1.688995
  C      -5.635125     -0.853398      1.327038
  C      -3.783385      6.265527      5.857723
  C      -3.848321      7.401156      4.828850
  C      -4.378329      6.965300      3.465761
  C      -5.849554      6.632901      3.408453
  N      -6.579204      6.775140      4.505240
  C      -7.903107      6.458497      4.428601
  N      -8.562317      5.993345      3.387788
  C      -7.836090      5.844778      2.238454
  C      -8.478107      5.350665      1.075191
  C      -7.770983      5.222185     -0.101098
  C      -6.400273      5.570814     -0.159471
  C      -5.746930      6.029111      0.968278
  C      -6.447255      6.178338      2.187650
  C      -5.913776      2.495625      7.116703
  C      -6.785967      3.743341      7.307271
  C      -8.296314      3.460537      7.352260
  C      -8.949188      3.187765      6.018616
  N      -8.347321      2.328978      5.201286
  C      -8.924213      2.092633      3.995670
  N     -10.033712      2.610549      3.515132
  C     -10.684043      3.491020      4.335798
  C     -11.886663      4.086846      3.882285
  C     -12.561189      4.985398      4.679816
  C     -12.064934      5.318495      5.960973
  C     -10.898367      4.750442      6.429820
  C     -10.174528      3.823779      5.632658
  H      -1.846755      0.714203      3.037841
  H      -3.289775      1.691147      2.775882
  H      -3.451878     -0.446621      4.919894
  H      -3.329413     -1.021645      3.254625
  H      -5.672163     -0.865670      4.077899
  H      -5.518943      0.880962      4.286369
  H      -6.090460      2.757418      0.209636
  H      -6.213886     -1.256906     -2.038443
  H      -5.973991     -3.653329     -1.366507
  H      -5.541471     -4.248928      1.010423
  H      -5.329954     -2.495080      2.727507
  H      -4.786493      5.818806      5.931966
  H      -3.548564      6.688070      6.851914
  H      -2.840880      7.828715      4.697949
  H      -4.488016      8.192544      5.246573
  H      -4.176232      7.757856      2.724978
  H      -3.811992      6.087504      3.112631
  H      -8.477213      6.608160      5.349031
  H      -9.534446      5.092851      1.141484
  H      -8.269553      4.850178     -0.998521
  H      -5.858140      5.474785     -1.101189
  H      -4.689596      6.287376      0.917187
  H      -6.112017      1.776589      7.934242
  H      -6.220442      2.012673      6.181476
  H      -6.498192      4.241590      8.246784
  H      -6.569389      4.453876      6.493408
  H      -8.494245      2.597464      8.013664
  H      -8.785304      4.319164      7.826321
  H      -8.392403      1.381346      3.353364
  H     -12.247231      3.813110      2.889912
  H     -13.483513      5.444863      4.323222
  H     -12.610486      6.028333      6.582405
  H     -10.538217      5.012429      7.423853
  N      -4.890786      3.415338      4.236839
  N      -5.781937      3.361831      3.465305
  H      -5.771158      2.426525      2.506542
98
Coordinates from ORCA-job orca E -6258.376089207643
  N      -2.410404      1.967603      4.630081
  Mo     -3.478316      3.392222      5.509635
  N      -4.463688      2.799521      7.092332
  C      -3.757291      2.850317      8.377497
  C      -2.300474      2.459143      8.158295
  N      -1.759099      3.196847      6.983393
  C      -0.684003      2.437525      6.290811
  C      -1.303784      1.378371      5.396221
  C      -1.307161      4.574804      7.332357
  C      -1.459769      5.452887      6.087697
  N      -2.811668      5.251133      5.563474
  H      -0.528037      0.993579      4.711099
  H      -1.646001      0.512247      5.995292
  H      -0.131755      3.151729      5.664571
  H       0.020486      1.999966      7.018561
  H      -1.280756      6.509988      6.341954
  H      -0.711967      5.178122      5.324825
  H      -1.969672      4.952045      8.126480
  H      -0.272450      4.560439      7.723160
  H      -4.213628      2.147425      9.097650
  H      -3.821894      3.855582      8.837454
  H      -2.252118      1.387181      7.920402
  H      -1.681106      2.644367      9.051779
  C      -2.806828      1.125999      3.502906
  C      -3.641116     -0.127955      3.863373
  C      -5.176418      0.038084      3.737090
  C      -5.596720      0.242647      2.313397
  N      -5.820875      1.488039      1.880654
  C      -6.149417      1.739595      0.579608
  N      -6.263823      0.830123     -0.351050
  C      -6.063093     -0.470724      0.029322
  C      -6.197990     -1.489737     -0.939592
  C      -6.016882     -2.810970     -0.580788
  C      -5.698498     -3.161098      0.753025
  C      -5.554675     -2.186294      1.719546
  C      -5.726448     -0.822202      1.380231
  C      -3.789201      6.291711      5.901950
  C      -3.864760      7.419958      4.867022
  C      -4.383264      6.975915      3.502206
  C      -5.850811      6.626591      3.428924
  N      -6.595805      6.755509      4.516146
  C      -7.918816      6.439589      4.416393
  N      -8.566730      5.996804      3.357851
  C      -7.826063      5.867927      2.216249
  C      -8.457750      5.414723      1.030189
  C      -7.735214      5.306348     -0.137980
  C      -6.357510      5.633082     -0.165201
  C      -5.714964      6.054379      0.983479
  C      -6.432388      6.189498      2.193382
  C      -5.886837      2.484147      7.152164
  C      -6.771066      3.724839      7.317497
  C      -8.277073      3.415389      7.357389
  C      -8.902975      3.087950      6.023387
  N      -8.309829      2.158693      5.280575
  C      -8.859716      1.865357      4.075318
  N      -9.937252      2.386084      3.529855
  C     -10.579081      3.338881      4.272987
  C     -11.751549      3.937417      3.748997
  C     -12.416401      4.907482      4.466491
  C     -11.939820      5.313105      5.734233
  C     -10.804173      4.742710      6.271732
  C     -10.092502      3.740254      5.559753
  H      -1.891480      0.793090      2.981572
  H      -3.354057      1.753622      2.782649
  H      -3.420484     -0.421224      4.899761
  H      -3.331340     -0.971500      3.227467
  H      -5.658149     -0.870970      4.126599
  H      -5.528179      0.874146      4.351976
  H      -6.314338      2.792254      0.335345
  H      -6.455726     -1.197435     -1.958364
  H      -6.128699     -3.596094     -1.329120
  H      -5.571548     -4.209694      1.017768
  H      -5.318434     -2.469386      2.745283
  H      -4.791484      5.844419      5.985616
  H      -3.545070      6.720851      6.891789
  H      -2.861776      7.859051      4.736763
  H      -4.516102      8.205028      5.280159
  H      -4.186606      7.774772      2.766517
  H      -3.804979      6.106073      3.149200
  H      -8.505590      6.578209      5.329714
  H      -9.519836      5.174588      1.068851
  H      -8.226796      4.963902     -1.051572
  H      -5.800615      5.547737     -1.098393
  H      -4.652253      6.295159      0.957030
  H      -6.076915      1.780232      7.984472
  H      -6.188091      1.976962      6.227657
  H      -6.497862      4.245197      8.249187
  H      -6.558975      4.422860      6.492453
  H      -8.460480      2.565958      8.038886
  H      -8.786972      4.274900      7.804095
  H      -8.337568      1.092334      3.496752
  H     -12.097368      3.606730      2.768602
  H     -13.315658      5.367830      4.055897
  H     -12.476521      6.080312      6.291862
  H     -10.461000      5.061730      7.255305
  N      -4.910218      3.465261      4.272661
  N      -5.813794      3.416260      3.517173
  H      -5.830930      2.452555      2.568301
98
Coordinates from ORCA-job orca E -6258.377757335546
  N      -2.429749      2.012801      4.618674
  Mo     -3.478582      3.428513      5.527976
  N      -4.440546      2.816738      7.116246
  C      -3.722301      2.859879      8.394152
  C      -2.268928      2.468296      8.154462
  N      -1.742552      3.213854      6.977682
  C      -0.680190      2.457962      6.262266
  C      -1.315882      1.411429      5.364334
  C      -1.281514      4.587018      7.333293
  C      -1.445319      5.476040      6.098904
  N      -2.802442      5.284946      5.588884
  H      -0.550423      1.029080      4.665495
  H      -1.655136      0.541495      5.960266
  H      -0.133056      3.176510      5.637245
  H       0.031341      2.009191      6.976020
  H      -1.259908      6.530637      6.359380
  H      -0.707967      5.204538      5.325524
  H      -1.932979      4.959271      8.137778
  H      -0.243483      4.563997      7.711937
  H      -4.169823      2.151667      9.113881
  H      -3.782997      3.861534      8.861457
  H      -2.226307      1.397713      7.909651
  H      -1.636888      2.647530      9.040576
  C      -2.840475      1.193688      3.481086
  C      -3.663043     -0.071634      3.831950
  C      -5.200589      0.095728      3.772547
  C      -5.684639      0.297316      2.368418
  N      -5.932278      1.541078      1.944093
  C      -6.334157      1.791565      0.661325
  N      -6.497101      0.880466     -0.258075
  C      -6.268675     -0.419835      0.112848
  C      -6.450927     -1.440533     -0.845607
  C      -6.244252     -2.759814     -0.494645
  C      -5.852717     -3.106365      0.820335
  C      -5.661690     -2.129506      1.776160
  C      -5.859010     -0.767453      1.444173
  C      -3.771734      6.325256      5.946173
  C      -3.840769      7.458466      4.917477
  C      -4.347772      7.017539      3.547630
  C      -5.814147      6.669297      3.459137
  N      -6.569728      6.792170      4.539943
  C      -7.890550      6.474788      4.425903
  N      -8.528506      6.042673      3.357719
  C      -7.776296      5.920893      2.222038
  C      -8.394163      5.477792      1.025648
  C      -7.655737      5.365810     -0.133908
  C      -6.275473      5.679359     -0.141882
  C      -5.647297      6.096281      1.015663
  C      -6.381367      6.235480      2.216264
  C      -5.858183      2.479054      7.175464
  C      -6.771557      3.700567      7.312217
  C      -8.269823      3.344810      7.340797
  C      -8.854187      2.964609      6.002916
  N      -8.248761      1.986303      5.334928
  C      -8.757761      1.634140      4.129163
  N      -9.810289      2.134043      3.517567
  C     -10.466948      3.131270      4.184790
  C     -11.618383      3.702937      3.590722
  C     -12.295644      4.719145      4.227672
  C     -11.852202      5.198865      5.481555
  C     -10.739943      4.653039      6.088188
  C     -10.016781      3.603536      5.461487
  H      -1.930897      0.871851      2.942296
  H      -3.397175      1.830218      2.776829
  H      -3.401490     -0.402756      4.846782
  H      -3.372345     -0.891656      3.156486
  H      -5.668821     -0.810677      4.182218
  H      -5.527541      0.932787      4.400909
  H      -6.517019      2.842425      0.425032
  H      -6.764419     -1.150954     -1.849160
  H      -6.391836     -3.546700     -1.235353
  H      -5.705233     -4.154743      1.079297
  H      -5.367805     -2.408802      2.787816
  H      -4.776332      5.882549      6.028587
  H      -3.521610      6.743062      6.939095
  H      -2.837129      7.897371      4.795647
  H      -4.495711      8.242736      5.327550
  H      -4.146918      7.818582      2.815891
  H      -3.765748      6.147813      3.197111
  H      -8.484115      6.596201      5.338056
  H      -9.458778      5.246932      1.045758
  H      -8.137657      5.029812     -1.054624
  H      -5.705221      5.588716     -1.067104
  H      -4.582841      6.327285      1.004673
  H      -6.042043      1.785327      8.017255
  H      -6.140962      1.947076      6.259440
  H      -6.525437      4.244861      8.238184
  H      -6.569443      4.390759      6.477997
  H      -8.430230      2.501871      8.034904
  H      -8.814251      4.195432      7.763016
  H      -8.224107      0.827104      3.612385
  H     -11.937837      3.315779      2.622086
  H     -13.179243      5.159984      3.763536
  H     -12.398005      6.003880      5.974941
  H     -10.425527      5.030677      7.060497
  N      -4.934979      3.516140      4.316641
  N      -5.859364      3.459436      3.589736
  H      -5.897524      2.464776      2.633265
98
Coordinates from ORCA-job orca E -6258.379442138399
  N      -2.437108      2.028854      4.623835
  Mo     -3.483662      3.437678      5.539233
  N      -4.442871      2.823163      7.128090
  C      -3.726175      2.865028      8.404743
  C      -2.274168      2.473937      8.163363
  N      -1.747514      3.218514      6.986502
  C      -0.688966      2.461386      6.268693
  C      -1.325947      1.422502      5.365606
  C      -1.281410      4.589270      7.340259
  C      -1.443268      5.475913      6.104587
  N      -2.800241      5.292662      5.597287
  H      -0.561403      1.042722      4.664667
  H      -1.667234      0.550537      5.957745
  H      -0.137292      3.180035      5.647991
  H       0.019091      2.005856      6.981953
  H      -1.253444      6.530216      6.362751
  H      -0.708610      5.198846      5.331457
  H      -1.930908      4.965627      8.143778
  H      -0.243732      4.559771      7.719138
  H      -4.172624      2.154790      9.122636
  H      -3.789451      3.865715      8.873147
  H      -2.234598      1.403385      7.918570
  H      -1.639751      2.652333      9.048090
  C      -2.836754      1.228525      3.470333
  C      -3.621567     -0.065657      3.793233
  C      -5.159134      0.061613      3.760320
  C      -5.682192      0.266465      2.369703
  N      -6.001310      1.502723      1.971701
  C      -6.469471      1.756640      0.709831
  N      -6.624962      0.853897     -0.216897
  C      -6.312799     -0.438118      0.119791
  C      -6.477917     -1.448925     -0.851428
  C      -6.187783     -2.761176     -0.534412
  C      -5.727888     -3.110542      0.757538
  C      -5.553153     -2.143425      1.725624
  C      -5.835734     -0.786760      1.428622
  C      -3.759873      6.342894      5.949018
  C      -3.810410      7.463543      4.902676
  C      -4.321000      7.002150      3.541996
  C      -5.792224      6.683538      3.469584
  N      -6.531977      6.838743      4.557637
  C      -7.859905      6.550699      4.462771
  N      -8.523194      6.141325      3.402826
  C      -7.786965      5.983907      2.261000
  C      -8.431156      5.556223      1.073988
  C      -7.704455      5.387360     -0.087705
  C      -6.309673      5.623310     -0.105356
  C      -5.657278      6.033492      1.041634
  C      -6.380495      6.236396      2.241583
  C      -5.863179      2.483447      7.184460
  C      -6.790564      3.697497      7.291063
  C      -8.292681      3.333332      7.327698
  C      -8.886911      2.936130      6.000147
  N      -8.327241      1.904966      5.368787
  C      -8.850497      1.537761      4.175304
  N      -9.880210      2.061777      3.544618
  C     -10.493888      3.106523      4.177569
  C     -11.623568      3.701722      3.565721
  C     -12.253935      4.770171      4.165525
  C     -11.783206      5.277831      5.398151
  C     -10.694012      4.707119      6.022736
  C     -10.018594      3.605504      5.435200
  H      -1.920030      0.941453      2.923164
  H      -3.409467      1.866317      2.780699
  H      -3.340739     -0.414480      4.797610
  H      -3.307702     -0.860451      3.099866
  H      -5.604279     -0.858554      4.164571
  H      -5.497548      0.881333      4.406150
  H      -6.719069      2.799918      0.506954
  H      -6.843649     -1.158726     -1.836977
  H      -6.320506     -3.541530     -1.285387
  H      -5.514571     -4.154112      0.988864
  H      -5.204031     -2.423996      2.719150
  H      -4.768873      5.912011      6.036158
  H      -3.505867      6.764473      6.938233
  H      -2.800521      7.886364      4.776255
  H      -4.456855      8.266150      5.292562
  H      -4.112429      7.782680      2.790844
  H      -3.753314      6.116451      3.211170
  H      -8.434731      6.671984      5.387331
  H      -9.506205      5.378019      1.099453
  H      -8.207839      5.063688     -1.000826
  H      -5.747636      5.480502     -1.029513
  H      -4.580679      6.199518      1.025862
  H      -6.048920      1.806419      8.039513
  H      -6.134956      1.922419      6.282385
  H      -6.556388      4.262296      8.208048
  H      -6.591098      4.375362      6.446403
  H      -8.443382      2.497909      8.031971
  H      -8.836497      4.189726      7.740654
  H      -8.349513      0.702638      3.679174
  H     -11.963391      3.292563      2.613712
  H     -13.120115      5.230929      3.689261
  H     -12.290233      6.123879      5.860916
  H     -10.360426      5.112151      6.976901
  N      -4.957742      3.513115      4.348265
  N      -5.904073      3.418631      3.655471
  H      -5.952464      2.350205      2.712066
98
Coordinates from ORCA-job orca E -6258.381092267638
  N      -2.474592      2.084442      4.612792
  Mo     -3.500222      3.478045      5.570592
  N      -4.428215      2.837302      7.167853
  C      -3.690864      2.865359      8.432230
  C      -2.242853      2.482047      8.158687
  N      -1.739893      3.241145      6.980735
  C      -0.696710      2.492050      6.232586
  C      -1.351361      1.466454      5.326261
  C      -1.267381      4.607610      7.344098
  C      -1.449362      5.511202      6.124375
  N      -2.812288      5.331930      5.635210
  H      -0.599374      1.096581      4.606012
  H      -1.682345      0.586559      5.913085
  H      -0.154767      3.218209      5.612939
  H       0.023097      2.025252      6.926565
  H      -1.256755      6.562044      6.394095
  H      -0.726726      5.245154      5.337176
  H      -1.903808      4.973426      8.161751
  H      -0.224836      4.571426      7.706186
  H      -4.121119      2.143203      9.147381
  H      -3.749824      3.858631      8.915728
  H      -2.206310      1.414925      7.900241
  H      -1.591444      2.651009      9.032959
  C      -2.884929      1.313496      3.443372
  C      -3.642264      0.001280      3.741416
  C      -5.179604      0.107729      3.783822
  C      -5.779047      0.315963      2.426193
  N      -6.148406      1.547381      2.061759
  C      -6.700122      1.814387      0.836569
  N      -6.897988      0.920755     -0.088488
  C      -6.532393     -0.368787      0.206514
  C      -6.735401     -1.367923     -0.768836
  C      -6.391122     -2.676276     -0.493678
  C      -5.837771     -3.033380      0.758522
  C      -5.625572     -2.078278      1.730527
  C      -5.963647     -0.724929      1.476672
  C      -3.770774      6.379321      5.993080
  C      -3.816447      7.503454      4.949112
  C      -4.298695      7.035097      3.579808
  C      -5.763243      6.696512      3.478453
  N      -6.527534      6.838157      4.552228
  C      -7.846754      6.521316      4.431724
  N      -8.481002      6.104745      3.357472
  C      -7.717603      5.958125      2.231266
  C      -8.326513      5.515530      1.032038
  C      -7.569219      5.346076     -0.111273
  C      -6.177168      5.594608     -0.096478
  C      -5.559612      6.023453      1.062028
  C      -6.315568      6.229436      2.242120
  C      -5.842634      2.474466      7.232266
  C      -6.797851      3.668846      7.311906
  C      -8.291209      3.267254      7.336786
  C      -8.845679      2.818644      6.009620
  N      -8.287274      1.744738      5.449685
  C      -8.769907      1.337643      4.252498
  N      -9.758889      1.858962      3.555223
  C     -10.370355      2.946261      4.114659
  C     -11.457802      3.541726      3.430782
  C     -12.081834      4.652657      3.955779
  C     -11.646001      5.204747      5.181878
  C     -10.599533      4.635221      5.875535
  C      -9.933241      3.489584      5.367628
  H      -1.975504      1.054193      2.870244
  H      -3.478210      1.963630      2.783432
  H      -3.314918     -0.380995      4.719889
  H      -3.347322     -0.762499      3.006186
  H      -5.593062     -0.822085      4.197969
  H      -5.496446      0.916751      4.455925
  H      -6.986541      2.854710      0.672051
  H      -7.171245     -1.072614     -1.723803
  H      -6.551976     -3.448164     -1.248044
  H      -5.580857     -4.075078      0.955864
  H      -5.202664     -2.364393      2.693211
  H      -4.779165      5.946004      6.073799
  H      -3.522915      6.794884      6.985585
  H      -2.808699      7.934765      4.837518
  H      -4.475096      8.301027      5.328028
  H      -4.086760      7.815474      2.829704
  H      -3.712855      6.155386      3.263122
  H      -8.440279      6.621728      5.347678
  H      -9.399335      5.323150      1.032578
  H      -8.046422      5.011826     -1.033947
  H      -5.590300      5.447765     -1.005076
  H      -4.484068      6.196189      1.072762
  H      -6.018699      1.808594      8.098124
  H      -6.099729      1.888242      6.341163
  H      -6.587346      4.255105      8.221412
  H      -6.607031      4.337216      6.457630
  H      -8.429958      2.444926      8.058371
  H      -8.864986      4.120103      7.716643
  H      -8.272049      0.468281      3.814792
  H     -11.770785      3.098564      2.484989
  H     -12.915615      5.114011      3.424908
  H     -12.146127      6.085859      5.583621
  H     -10.291367      5.078870      6.820968
  N      -5.013927      3.574812      4.424830
  N      -5.985216      3.488031      3.770721
  H      -6.088745      2.402337      2.781069
98
Coordinates from ORCA-job orca E -6258.382253356021
  N      -2.491143      2.100105      4.614644
  Mo     -3.518153      3.482906      5.591201
  N      -4.433383      2.824530      7.193911
  C      -3.683230      2.844575      8.450914
  C      -2.234765      2.475173      8.160881
  N      -1.747710      3.248640      6.986154
  C      -0.703938      2.514441      6.223509
  C      -1.356355      1.487397      5.315572
  C      -1.285855      4.616974      7.357765
  C      -1.481909      5.529236      6.146320
  N      -2.844512      5.340417      5.658167
  H      -0.605754      1.129255      4.588044
  H      -1.672784      0.601071      5.900635
  H      -0.174416      3.250102      5.604424
  H       0.027079      2.049915      6.907570
  H      -1.297283      6.579255      6.424919
  H      -0.757858      5.276407      5.355975
  H      -1.920858      4.971133      8.181382
  H      -0.240939      4.587687      7.713437
  H      -4.101523      2.113810      9.164399
  H      -3.742109      3.832884      8.944600
  H      -2.191056      1.411042      7.892512
  H      -1.577697      2.641386      9.031202
  C      -2.898849      1.340723      3.435165
  C      -3.635118      0.013398      3.699372
  C      -5.173983      0.110268      3.779838
  C      -5.811851      0.320457      2.441643
  N      -6.240021      1.541709      2.108923
  C      -6.838450      1.820644      0.908535
  N      -7.031801      0.936918     -0.025984
  C      -6.613995     -0.345374      0.231783
  C      -6.817359     -1.331948     -0.756138
  C      -6.420874     -2.633240     -0.519043
  C      -5.813143     -2.995313      0.705837
  C      -5.599772     -2.052920      1.690163
  C      -5.991414     -0.706794      1.475745
  C      -3.809888      6.387614      5.998127
  C      -3.854738      7.509837      4.949373
  C      -4.312639      7.034653      3.573248
  C      -5.772578      6.682115      3.449571
  N      -6.554726      6.817729      4.511964
  C      -7.869607      6.488893      4.371922
  N      -8.486199      6.077388      3.285264
  C      -7.704070      5.933596      2.171980
  C      -8.293713      5.489911      0.963544
  C      -7.516277      5.312015     -0.164648
  C      -6.123151      5.554084     -0.124569
  C      -5.526489      5.992891      1.040827
  C      -6.302427      6.205010      2.206598
  C      -5.845800      2.457573      7.280334
  C      -6.802253      3.651665      7.362499
  C      -8.292229      3.245732      7.393610
  C      -8.837482      2.783560      6.069546
  N      -8.301275      1.681067      5.544859
  C      -8.761559      1.272628      4.339451
  N      -9.706706      1.820238      3.601204
  C     -10.297313      2.936879      4.125736
  C     -11.342877      3.560239      3.401990
  C     -11.948625      4.694771      3.897864
  C     -11.535203      5.245208      5.132292
  C     -10.527498      4.652197      5.862152
  C      -9.882297      3.480807      5.385729
  H      -1.989421      1.108507      2.850333
  H      -3.508485      1.995787      2.794924
  H      -3.282868     -0.397727      4.658144
  H      -3.355231     -0.724731      2.932150
  H      -5.569078     -0.827802      4.194583
  H      -5.479073      0.909341      4.469940
  H      -7.157845      2.857405      0.775651
  H      -7.294714     -1.033867     -1.690251
  H      -6.582060     -3.395454     -1.282251
  H      -5.515008     -4.031319      0.872070
  H      -5.134013     -2.342934      2.631730
  H      -4.815898      5.948241      6.074390
  H      -3.573100      6.811429      6.989709
  H      -2.849660      7.950217      4.849894
  H      -4.524047      8.302264      5.316528
  H      -4.092824      7.811857      2.821558
  H      -3.714871      6.157757      3.272074
  H      -8.475747      6.577095      5.280891
  H      -9.367030      5.298369      0.948204
  H      -7.977995      4.976448     -1.094499
  H      -5.520405      5.396886     -1.020740
  H      -4.451137      6.167389      1.069313
  H      -6.008680      1.799431      8.155058
  H      -6.114966      1.859212      6.399203
  H      -6.587903      4.241110      8.268583
  H      -6.617163      4.315741      6.503726
  H      -8.427371      2.426026      8.119151
  H      -8.871587      4.099380      7.763301
  H      -8.283345      0.376311      3.932036
  H     -11.640930      3.116836      2.451363
  H     -12.751258      5.175884      3.337634
  H     -12.020065      6.146127      5.509466
  H     -10.232733      5.096951      6.811512
  N      -5.051202      3.570621      4.463029
  N      -6.028488      3.476809      3.825954
  H      -6.158177      2.367846      2.774836
98
Coordinates from ORCA-job orca E -6258.383399033874
  N      -2.522377      2.106592      4.622964
  Mo     -3.543294      3.486479      5.616432
  N      -4.457366      2.824309      7.225578
  C      -3.692676      2.833103      8.475184
  C      -2.246455      2.464821      8.170806
  N      -1.766416      3.244486      6.997159
  C      -0.726520      2.513863      6.224111
  C      -1.382757      1.489740      5.312985
  C      -1.304800      4.612512      7.372789
  C      -1.508484      5.531796      6.167197
  N      -2.872735      5.341696      5.679380
  H      -0.633866      1.138560      4.579632
  H      -1.691607      0.598676      5.894417
  H      -0.201168      3.253727      5.606274
  H       0.010102      2.047202      6.900811
  H      -1.325852      6.580373      6.453606
  H      -0.782072      5.287090      5.375400
  H      -1.935284      4.962475      8.201717
  H      -0.257570      4.584471      7.721024
  H      -4.104441      2.098535      9.188632
  H      -3.742644      3.817776      8.977803
  H      -2.202740      1.402224      7.896212
  H      -1.583925      2.625936      9.037912
  C      -2.920234      1.372151      3.421240
  C      -3.612758      0.014959      3.640377
  C      -5.158135      0.051980      3.738606
  C      -5.821256      0.263768      2.413185
  N      -6.323940      1.466367      2.113285
  C      -6.939864      1.749468      0.924014
  N      -7.092598      0.878155     -0.030378
  C      -6.613004     -0.387639      0.194092
  C      -6.780334     -1.360707     -0.814561
  C      -6.319210     -2.646987     -0.612492
  C      -5.680971     -3.006927      0.596393
  C      -5.501557     -2.078631      1.600634
  C      -5.958975     -0.747282      1.422370
  C      -3.828553      6.408424      5.985597
  C      -3.858401      7.520605      4.923140
  C      -4.303898      7.036013      3.544898
  C      -5.764822      6.686442      3.416980
  N      -6.548930      6.841990      4.475485
  C      -7.865044      6.517633      4.338492
  N      -8.484030      6.103956      3.254165
  C      -7.701178      5.936917      2.146086
  C      -8.297488      5.482174      0.944646
  C      -7.520021      5.268670     -0.176645
  C      -6.122033      5.487416     -0.134999
  C      -5.520926      5.944695      1.021003
  C      -6.295742      6.190699      2.180803
  C      -5.869654      2.457356      7.338400
  C      -6.814854      3.661058      7.418070
  C      -8.308184      3.279151      7.461533
  C      -8.860496      2.805136      6.144681
  N      -8.359920      1.674814      5.645881
  C      -8.814782      1.268452      4.435994
  N      -9.720152      1.845994      3.670603
  C     -10.282106      2.987581      4.173534
  C     -11.297910      3.636554      3.430026
  C     -11.885914      4.785208      3.915241
  C     -11.482764      5.326967      5.156793
  C     -10.499203      4.713853      5.902687
  C      -9.873890      3.527022      5.437391
  H      -2.008391      1.187183      2.822329
  H      -3.556278      2.031253      2.812092
  H      -3.236033     -0.418677      4.580311
  H      -3.324111     -0.685742      2.841997
  H      -5.508702     -0.912360      4.135607
  H      -5.484011      0.821694      4.452053
  H      -7.296468      2.778464      0.816162
  H      -7.282012     -1.066360     -1.736359
  H      -6.453229     -3.399447     -1.390291
  H      -5.332579     -4.030932      0.734257
  H      -5.014073     -2.368019      2.531222
  H      -4.838730      5.978256      6.062232
  H      -3.595058      6.848137      6.971975
  H      -2.850354      7.954989      4.831767
  H      -4.526052      8.318922      5.275230
  H      -4.069687      7.799856      2.783518
  H      -3.707341      6.151231      3.261978
  H      -8.469061      6.614613      5.247204
  H      -9.374082      5.305601      0.936192
  H      -7.984245      4.923524     -1.101801
  H      -5.520846      5.298327     -1.025680
  H      -4.443402      6.107664      1.047163
  H      -6.020209      1.813774      8.225851
  H      -6.157880      1.844231      6.472121
  H      -6.583216      4.254346      8.316667
  H      -6.628807      4.310786      6.548813
  H      -8.455827      2.469722      8.197044
  H      -8.875415      4.147036      7.816205
  H      -8.369560      0.342413      4.052216
  H     -11.591951      3.197449      2.475723
  H     -12.668426      5.283623      3.341432
  H     -11.954918      6.239520      5.524729
  H     -10.207977      5.151146      6.857107
  N      -5.085462      3.568135      4.500515
  N      -6.063259      3.482698      3.870295
  H      -6.238447      2.325659      2.800491
98
Coordinates from ORCA-job orca E -6258.384656089747
  N      -2.528661      2.155505      4.595315
  Mo     -3.548573      3.509417      5.625010
  N      -4.444322      2.806230      7.227709
  C      -3.667697      2.796755      8.470532
  C      -2.220190      2.447742      8.145326
  N      -1.758256      3.254757      6.982410
  C      -0.718725      2.551305      6.183483
  C      -1.374695      1.537830      5.260074
  C      -1.304377      4.618044      7.382655
  C      -1.526782      5.561648      6.199964
  N      -2.892583      5.367717      5.718393
  H      -0.630833      1.206033      4.512497
  H      -1.668564      0.634280      5.829823
  H      -0.209000      3.309116      5.574020
  H       0.030764      2.079976      6.842389
  H      -1.354590      6.605230      6.510096
  H      -0.802776      5.344802      5.397355
  H      -1.929786      4.944341      8.225323
  H      -0.253243      4.591824      7.719874
  H      -4.064871      2.043361      9.172882
  H      -3.722078      3.770543      8.994404
  H      -2.169347      1.390801      7.849900
  H      -1.550916      2.598296      9.009369
  C      -2.940725      1.434122      3.392218
  C      -3.620940      0.070535      3.617602
  C      -5.163963      0.109709      3.751242
  C      -5.858245      0.297297      2.439018
  N      -6.350354      1.500309      2.119341
  C      -6.991213      1.760386      0.937116
  N      -7.183606      0.865814      0.013069
  C      -6.715268     -0.400363      0.259652
  C      -6.923490     -1.397753     -0.716367
  C      -6.474950     -2.684801     -0.491266
  C      -5.809412     -3.020548      0.710054
  C      -5.590417     -2.067201      1.682824
  C      -6.033353     -0.735827      1.479253
  C      -3.848474      6.432239      6.027493
  C      -3.868103      7.550213      4.974500
  C      -4.295625      7.071297      3.589694
  C      -5.754844      6.719888      3.446388
  N      -6.550850      6.880008      4.494685
  C      -7.866132      6.559976      4.342933
  N      -8.473957      6.146800      3.251842
  C      -7.678479      5.975619      2.153351
  C      -8.261979      5.524808      0.943480
  C      -7.471198      5.306202     -0.167363
  C      -6.073130      5.520801     -0.108530
  C      -5.484806      5.976509      1.054497
  C      -6.272492      6.225211      2.204644
  C      -5.849880      2.415928      7.337882
  C      -6.814791      3.604080      7.417296
  C      -8.304462      3.198449      7.431974
  C      -8.826028      2.729107      6.098994
  N      -8.336916      1.583904      5.623810
  C      -8.769439      1.174314      4.406492
  N      -9.643292      1.760390      3.613276
  C     -10.199332      2.913866      4.093038
  C     -11.191510      3.565927      3.322036
  C     -11.780500      4.722154      3.785894
  C     -11.399812      5.270081      5.031829
  C     -10.437719      4.654753      5.803865
  C      -9.812570      3.459236      5.361286
  H      -2.038638      1.261313      2.774952
  H      -3.592983      2.093390      2.799619
  H      -3.220180     -0.375202      4.540946
  H      -3.352779     -0.617461      2.801683
  H      -5.507139     -0.845409      4.175470
  H      -5.470380      0.894504      4.455736
  H      -7.337605      2.788643      0.812414
  H      -7.446535     -1.121143     -1.631964
  H      -6.641142     -3.456308     -1.243878
  H      -5.471441     -4.045470      0.867516
  H      -5.083210     -2.337684      2.608503
  H      -4.860397      6.004292      6.093152
  H      -3.619216      6.864476      7.018664
  H      -2.860318      7.988804      4.898744
  H      -4.544277      8.343437      5.324619
  H      -4.054234      7.839278      2.835225
  H      -3.694960      6.187891      3.309070
  H      -8.481000      6.663567      5.243435
  H      -9.339526      5.356804      0.920186
  H      -7.925304      4.962484     -1.098391
  H      -5.461822      5.329812     -0.991661
  H      -4.408059      6.141278      1.092444
  H      -5.992672      1.768246      8.223203
  H      -6.124901      1.800795      6.469746
  H      -6.605087      4.189804      8.326364
  H      -6.624957      4.267143      6.559262
  H      -8.451104      2.380763      8.157520
  H      -8.890983      4.054066      7.783923
  H      -8.336110      0.235004      4.044111
  H     -11.469028      3.121394      2.365274
  H     -12.546322      5.222323      3.191125
  H     -11.872733      6.188711      5.382776
  H     -10.164093      5.095881      6.761741
  N      -5.098820      3.596352      4.516648
  N      -6.076653      3.515727      3.888714
  H      -6.257819      2.322107      2.808906
98
Coordinates from ORCA-job orca E -6258.385352839330
  N      -2.549444      2.202837      4.568485
  Mo     -3.567014      3.533731      5.631026
  N      -4.452024      2.800114      7.226859
  C      -3.660689      2.765627      8.460645
  C      -2.215236      2.428555      8.114920
  N      -1.765484      3.261557      6.965427
  C      -0.727972      2.580974      6.145230
  C      -1.384465      1.582044      5.207395
  C      -1.314182      4.617123      7.391156
  C      -1.547066      5.583700      6.230543
  N      -2.914716      5.391098      5.753545
  H      -0.645471      1.272171      4.445467
  H      -1.664360      0.663992      5.761147
  H      -0.226728      3.353976      5.547221
  H       0.028252      2.101306      6.790084
  H      -1.381153      6.621304      6.563185
  H      -0.824942      5.390767      5.419345
  H      -1.936982      4.923205      8.243847
  H      -0.260935      4.587822      7.722390
  H      -4.046501      1.994586      9.150382
  H      -3.713938      3.727683      9.006379
  H      -2.163007      1.377604      7.797230
  H      -1.539096      2.563825      8.976463
  C      -2.974834      1.499424      3.360658
  C      -3.638416      0.126466      3.587065
  C      -5.179181      0.165055      3.747485
  C      -5.904490      0.337488      2.451315
  N      -6.429914      1.531546      2.146599
  C      -7.113335      1.773606      0.983882
  N      -7.315673      0.873637      0.067586
  C      -6.813013     -0.381455      0.301315
  C      -7.029527     -1.385082     -0.666270
  C      -6.548426     -2.662338     -0.452831
  C      -5.841684     -2.982225      0.729319
  C      -5.613319     -2.022418      1.693206
  C      -6.088554     -0.700665      1.500228
  C      -3.863337      6.464183      6.047838
  C      -3.853408      7.577142      4.990721
  C      -4.255101      7.088790      3.601834
  C      -5.710372      6.733759      3.437697
  N      -6.524926      6.907650      4.469094
  C      -7.834610      6.576938      4.300475
  N      -8.419580      6.137408      3.207339
  C      -7.603848      5.951200      2.126204
  C      -8.161972      5.467749      0.916413
  C      -7.350011      5.235346     -0.176218
  C      -5.956185      5.468877     -0.099116
  C      -5.391801      5.951869      1.064974
  C      -6.202049      6.214564      2.196758
  C      -5.854796      2.401103      7.346807
  C      -6.830218      3.580025      7.440738
  C      -8.316668      3.157039      7.456424
  C      -8.830929      2.679272      6.122445
  N      -8.343684      1.525596      5.666674
  C      -8.750764      1.111413      4.442196
  N      -9.589965      1.706849      3.620125
  C     -10.152573      2.864561      4.082684
  C     -11.118543      3.519799      3.282458
  C     -11.727277      4.669833      3.735419
  C     -11.388601      5.210976      4.996530
  C     -10.444695      4.597735      5.792866
  C      -9.801251      3.408303      5.362401
  H      -2.082331      1.346751      2.724335
  H      -3.646458      2.160475      2.792286
  H      -3.222313     -0.325929      4.498938
  H      -3.381362     -0.551536      2.760477
  H      -5.514171     -0.784085      4.190913
  H      -5.469489      0.958965      4.448068
  H      -7.492259      2.790850      0.871606
  H      -7.584941     -1.121402     -1.566413
  H      -6.720507     -3.438956     -1.199625
  H      -5.479306     -3.999796      0.879111
  H      -5.074830     -2.280821      2.604438
  H      -4.880159      6.046025      6.099318
  H      -3.644544      6.896968      7.041666
  H      -2.842034      8.010715      4.933975
  H      -4.533801      8.375333      5.323687
  H      -4.000071      7.848040      2.843648
  H      -3.649695      6.202310      3.341319
  H      -8.464622      6.688189      5.189695
  H      -9.236896      5.285625      0.881971
  H      -7.783398      4.866383     -1.107873
  H      -5.328843      5.269115     -0.969161
  H      -4.317404      6.130284      1.116777
  H      -5.982935      1.750101      8.231052
  H      -6.133085      1.787595      6.479070
  H      -6.622599      4.158594      8.354940
  H      -6.648485      4.252589      6.589126
  H      -8.453917      2.338893      8.182286
  H      -8.914354      4.006439      7.805334
  H      -8.321418      0.163617      4.098956
  H     -11.366072      3.078653      2.315917
  H     -12.476705      5.170468      3.120226
  H     -11.877559      6.123953      5.338381
  H     -10.200515      5.033849      6.760930
  N      -5.127952      3.628966      4.537756
  N      -6.112674      3.558134      3.917113
  H      -6.326388      2.346637      2.813690
98
Coordinates from ORCA-job orca E -6258.385885859381
  N      -2.572777      2.212468      4.559106
  Mo     -3.590162      3.528311      5.641865
  N      -4.458296      2.780787      7.239719
  C      -3.653768      2.736222      8.464645
  C      -2.210985      2.406957      8.101846
  N      -1.775895      3.254436      6.957064
  C      -0.740406      2.589780      6.121985
  C      -1.396507      1.595885      5.179590
  C      -1.329498      4.608334      7.392417
  C      -1.578023      5.585211      6.243900
  N      -2.948062      5.388022      5.775301
  H      -0.661933      1.301001      4.407403
  H      -1.662618      0.668883      5.725675
  H      -0.249669      3.372432      5.527633
  H       0.024138      2.109362      6.756330
  H      -1.418838      6.620497      6.587090
  H      -0.859991      5.408439      5.425228
  H      -1.947059      4.901930      8.253271
  H      -0.273501      4.582335      7.714859
  H      -4.029994      1.957979      9.151732
  H      -3.704184      3.693641      9.018800
  H      -2.157721      1.359083      7.773678
  H      -1.527521      2.537221      8.958392
  C      -2.998657      1.525045      3.342668
  C      -3.630786      0.132397      3.553730
  C      -5.168023      0.137769      3.747597
  C      -5.922698      0.302863      2.467133
  N      -6.486454      1.485850      2.185561
  C      -7.199922      1.719618      1.038352
  N      -7.390444      0.825382      0.114708
  C      -6.847215     -0.417257      0.325402
  C      -7.048473     -1.415335     -0.650901
  C      -6.526351     -2.680024     -0.460646
  C      -5.791857     -2.992796      0.706739
  C      -5.576542     -2.037503      1.678208
  C      -6.094582     -0.729107      1.508801
  C      -3.894000      6.464879      6.064810
  C      -3.872770      7.575274      5.004629
  C      -4.274490      7.089574      3.614530
  C      -5.734878      6.758177      3.439515
  N      -6.557578      6.956580      4.459876
  C      -7.871679      6.652253      4.278597
  N      -8.453456      6.217183      3.181884
  C      -7.629845      6.008105      2.111077
  C      -8.184677      5.531201      0.896986
  C      -7.365396      5.273597     -0.184438
  C      -5.967770      5.475168     -0.091946
  C      -5.406223      5.953913      1.075573
  C      -6.223514      6.241711      2.196266
  C      -5.860896      2.388521      7.370932
  C      -6.827545      3.573174      7.472533
  C      -8.315362      3.155231      7.491164
  C      -8.822649      2.668797      6.158003
  N      -8.365875      1.488830      5.739869
  C      -8.757303      1.060667      4.515469
  N      -9.550958      1.667910      3.657946
  C     -10.085598      2.853484      4.081851
  C     -11.006831      3.522152      3.241776
  C     -11.588580      4.700768      3.654258
  C     -11.264450      5.258365      4.912345
  C     -10.361968      4.632641      5.746606
  C      -9.748957      3.413186      5.359181
  H      -2.110388      1.402162      2.694330
  H      -3.689563      2.182024      2.793184
  H      -3.187313     -0.335219      4.443818
  H      -3.377330     -0.519934      2.705204
  H      -5.475871     -0.818921      4.193751
  H      -5.459487      0.923208      4.457768
  H      -7.610465      2.726663      0.943534
  H      -7.625396     -1.157393     -1.539276
  H      -6.686316     -3.452049     -1.214655
  H      -5.397017     -4.000821      0.839074
  H      -5.015761     -2.290136      2.577514
  H      -4.913135      6.052485      6.113694
  H      -3.675244      6.898220      7.058580
  H      -2.858234      8.001634      4.951296
  H      -4.548859      8.378714      5.334464
  H      -4.004157      7.844087      2.856948
  H      -3.680834      6.194043      3.358305
  H      -8.509900      6.784757      5.159091
  H      -9.263473      5.375166      0.850479
  H      -7.795613      4.907814     -1.118927
  H      -5.334916      5.256710     -0.953506
  H      -4.329130      6.109648      1.138308
  H      -5.984973      1.739879      8.257128
  H      -6.149164      1.776554      6.505320
  H      -6.614722      4.147417      8.388330
  H      -6.644275      4.248677      6.623825
  H      -8.455547      2.342965      8.222085
  H      -8.910554      4.008777      7.833651
  H      -8.356496      0.088475      4.206519
  H     -11.243850      3.068173      2.278364
  H     -12.304794      5.212053      3.008589
  H     -11.732644      6.193707      5.222516
  H     -10.128512      5.080885      6.711924
  N      -5.159374      3.620031      4.559513
  N      -6.145784      3.549372      3.942753
  H      -6.377166      2.301327      2.855977
98
Coordinates from ORCA-job orca E -6258.386272936264
  N      -2.571041      2.219386      4.551387
  Mo     -3.600830      3.524436      5.639985
  N      -4.474135      2.766958      7.231461
  C      -3.667686      2.710452      8.455202
  C      -2.223917      2.388738      8.091056
  N      -1.789533      3.249792      6.956583
  C      -0.745804      2.600039      6.120194
  C      -1.390331      1.607995      5.167985
  C      -1.352454      4.601738      7.407290
  C      -1.602558      5.589430      6.268983
  N      -2.969264      5.386343      5.791255
  H      -0.651139      1.327784      4.394620
  H      -1.647492      0.672555      5.704233
  H      -0.260521      3.391385      5.533394
  H       0.021004      2.122143      6.753677
  H      -1.454866      6.621661      6.626126
  H      -0.878052      5.430466      5.452663
  H      -1.974069      4.883552      8.268660
  H      -0.297753      4.578722      7.732913
  H      -4.041566      1.924393      9.134413
  H      -3.720040      3.661852      9.018921
  H      -2.165912      1.344861      7.752457
  H      -1.543234      2.512690      8.950481
  C      -2.988167      1.536894      3.328116
  C      -3.609323      0.137039      3.525858
  C      -5.147061      0.129959      3.725526
  C      -5.904555      0.284625      2.445430
  N      -6.467334      1.466550      2.157249
  C      -7.174252      1.696623      1.005780
  N      -7.358966      0.799903      0.083654
  C      -6.817846     -0.443104      0.301841
  C      -7.012755     -1.444218     -0.672617
  C      -6.490844     -2.707968     -0.476074
  C      -5.762123     -3.016770      0.695936
  C      -5.552997     -2.058348      1.666023
  C      -6.071737     -0.751239      1.490581
  C      -3.912408      6.472984      6.053425
  C      -3.866720      7.580238      4.988786
  C      -4.258282      7.097306      3.594918
  C      -5.720757      6.778971      3.409087
  N      -6.549273      6.997037      4.420915
  C      -7.863997      6.698283      4.236017
  N      -8.439647      6.241713      3.145006
  C      -7.610151      6.008791      2.084017
  C      -8.159704      5.499230      0.881334
  C      -7.336336      5.221555     -0.191663
  C      -5.940401      5.437426     -0.102099
  C      -5.383490      5.944553      1.055448
  C      -6.204347      6.247742      2.169649
  C      -5.876666      2.375988      7.369751
  C      -6.837752      3.562901      7.501996
  C      -8.326916      3.153603      7.526609
  C      -8.846730      2.683149      6.193116
  N      -8.399619      1.504665      5.761099
  C      -8.802392      1.089395      4.535637
  N      -9.596666      1.711298      3.688630
  C     -10.121771      2.896005      4.127784
  C     -11.043923      3.579139      3.300523
  C     -11.624179      4.750987      3.734243
  C     -11.295587      5.288973      4.999608
  C     -10.386732      4.652685      5.818884
  C      -9.776202      3.439331      5.409640
  H      -2.097783      1.425961      2.680938
  H      -3.683583      2.191439      2.782309
  H      -3.157968     -0.340561      4.406827
  H      -3.358409     -0.501484      2.665279
  H      -5.445331     -0.826724      4.177724
  H      -5.440943      0.917682      4.433045
  H      -7.581325      2.704485      0.902277
  H      -7.584753     -1.188917     -1.565108
  H      -6.646070     -3.481722     -1.228654
  H      -5.366277     -4.024048      0.833110
  H      -4.995900     -2.308218      2.568455
  H      -4.934791      6.068156      6.087716
  H      -3.707294      6.911357      7.047562
  H      -2.848384      7.998033      4.947230
  H      -4.539764      8.389028      5.309569
  H      -3.973168      7.848369      2.839033
  H      -3.671224      6.195490      3.345519
  H      -8.509117      6.857420      5.106862
  H      -9.237897      5.333736      0.840410
  H      -7.760985      4.829323     -1.117570
  H      -5.305103      5.207718     -0.958955
  H      -4.307620      6.110820      1.114700
  H      -5.992047      1.714897      8.248169
  H      -6.177381      1.779759      6.496936
  H      -6.614613      4.117316      8.427490
  H      -6.657670      4.254165      6.664980
  H      -8.468401      2.334998      8.250147
  H      -8.914157      4.008323      7.881960
  H      -8.412252      0.114509      4.218463
  H     -11.287013      3.139070      2.332192
  H     -12.343026      5.272111      3.099604
  H     -11.764602      6.218576      5.327120
  H     -10.147839      5.083835      6.790935
  N      -5.162936      3.614788      4.545807
  N      -6.137216      3.559422      3.911921
  H      -6.382137      2.288236      2.836041
98
Coordinates from ORCA-job orca E -6258.386790605315
  N      -2.590815      2.250372      4.545079
  Mo     -3.620266      3.539300      5.654964
  N      -4.474219      2.762400      7.246555
  C      -3.655182      2.695137      8.461708
  C      -2.213275      2.386652      8.079354
  N      -1.795328      3.264401      6.951565
  C      -0.753331      2.632669      6.099125
  C      -1.398088      1.644036      5.142771
  C      -1.365355      4.614196      7.415593
  C      -1.632057      5.614178      6.292707
  N      -3.000114      5.403446      5.820788
  H      -0.664117      1.379280      4.358794
  H      -1.639743      0.700049      5.671155
  H      -0.280708      3.434166      5.516142
  H       0.023420      2.155691      6.721070
  H      -1.493174      6.642838      6.663474
  H      -0.910189      5.475096      5.470412
  H      -1.982271      4.880721      8.284862
  H      -0.308228      4.595388      7.732882
  H      -4.017050      1.898019      9.134273
  H      -3.708126      3.638834      9.037892
  H      -2.152160      1.347764      7.727210
  H      -1.525220      2.504096      8.933752
  C      -3.014832      1.575511      3.318777
  C      -3.633667      0.173682      3.508328
  C      -5.169440      0.165201      3.727985
  C      -5.948395      0.315373      2.460068
  N      -6.523295      1.494118      2.183024
  C      -7.248992      1.722518      1.043289
  N      -7.440048      0.827332      0.120973
  C      -6.888525     -0.413350      0.328213
  C      -7.091070     -1.413511     -0.645589
  C      -6.560091     -2.675051     -0.458749
  C      -5.814781     -2.982756      0.702744
  C      -5.597675     -2.025308      1.672141
  C      -6.124381     -0.719892      1.505945
  C      -3.942476      6.494567      6.061874
  C      -3.877657      7.595142      4.991142
  C      -4.246374      7.103223      3.594557
  C      -5.703840      6.776811      3.387812
  N      -6.549460      6.997367      4.384846
  C      -7.859360      6.689611      4.180704
  N      -8.413553      6.216209      3.085485
  C      -7.565283      5.977697      2.040629
  C      -8.091034      5.447497      0.836352
  C      -7.249107      5.169917     -0.222056
  C      -5.857907      5.407284     -0.116131
  C      -5.323854      5.932328      1.043874
  C      -6.163722      6.232808      2.144628
  C      -5.871965      2.355121      7.391063
  C      -6.850149      3.526537      7.539688
  C      -8.332497      3.091945      7.554137
  C      -8.835537      2.623937      6.213572
  N      -8.396844      1.438750      5.789709
  C      -8.780593      1.030466      4.555560
  N      -9.547230      1.666259      3.692558
  C     -10.063560      2.858148      4.122750
  C     -10.957952      3.557350      3.278591
  C     -11.531343      4.735614      3.704861
  C     -11.222838      5.264445      4.978783
  C     -10.339151      4.613848      5.813775
  C      -9.737230      3.393666      5.412610
  H      -2.129622      1.470939      2.663317
  H      -3.716077      2.231980      2.783555
  H      -3.169827     -0.314784      4.377189
  H      -3.393972     -0.453164      2.635888
  H      -5.461341     -0.789967      4.187873
  H      -5.453331      0.954834      4.437401
  H      -7.661738      2.728664      0.946521
  H      -7.676410     -1.159421     -1.529558
  H      -6.721491     -3.447885     -1.210982
  H      -5.412440     -3.988409      0.832846
  H      -5.027875     -2.274509      2.566651
  H      -4.965928      6.091695      6.083622
  H      -3.751169      6.939472      7.055697
  H      -2.859011      8.012667      4.963038
  H      -4.555430      8.405454      5.296473
  H      -3.952793      7.851843      2.839229
  H      -3.652553      6.201972      3.358859
  H      -8.520663      6.856251      5.037704
  H      -9.166175      5.267238      0.783032
  H      -7.654948      4.762200     -1.149519
  H      -5.207876      5.179717     -0.962395
  H      -4.251481      6.115180      1.114972
  H      -5.974089      1.685077      8.264385
  H      -6.169582      1.762266      6.515081
  H      -6.637702      4.069117      8.474712
  H      -6.680430      4.235255      6.714559
  H      -8.462798      2.265637      8.270913
  H      -8.936654      3.934462      7.912141
  H      -8.398265      0.049916      4.245914
  H     -11.187061      3.124073      2.303954
  H     -12.228874      5.269148      3.057168
  H     -11.686563      6.198924      5.300124
  H     -10.113055      5.037743      6.792129
  N      -5.196078      3.627773      4.578883
  N      -6.176559      3.573737      3.955447
  H      -6.423614      2.304376      2.856173
98
Coordinates from ORCA-job orca E -6258.387229933262
  N      -2.600628      2.287902      4.528059
  Mo     -3.632074      3.555825      5.661196
  N      -4.471879      2.752676      7.245047
  C      -3.647690      2.666793      8.455111
  C      -2.206745      2.370995      8.058704
  N      -1.798569      3.270417      6.944515
  C      -0.756451      2.660538      6.076556
  C      -1.399374      1.682242      5.108340
  C      -1.374829      4.613748      7.430880
  C      -1.652762      5.632252      6.328164
  N      -3.020929      5.419909      5.857077
  H      -0.668954      1.435572      4.315517
  H      -1.630115      0.728039      5.622939
  H      -0.293194      3.474977      5.503477
  H       0.026950      2.179656      6.687175
  H      -1.522595      6.654442      6.719437
  H      -0.931048      5.516398      5.501392
  H      -1.989636      4.860848      8.307843
  H      -0.315697      4.594825      7.743366
  H      -4.003030      1.855000      9.113869
  H      -3.702966      3.599548      9.049242
  H      -2.144859      1.338734      7.686846
  H      -1.513779      2.475131      8.911058
  C      -3.032411      1.624050      3.299676
  C      -3.639711      0.216734      3.483245
  C      -5.168231      0.199915      3.740503
  C      -5.981568      0.338137      2.492811
  N      -6.575078      1.509981      2.225547
  C      -7.338892      1.723713      1.107650
  N      -7.549574      0.820666      0.197209
  C      -6.977906     -0.412230      0.393969
  C      -7.197994     -1.419938     -0.567839
  C      -6.648333     -2.675039     -0.389430
  C      -5.866800     -2.968455      0.751828
  C      -5.631672     -2.003093      1.709088
  C      -6.175989     -0.703781      1.550246
  C      -3.960032      6.516431      6.081996
  C      -3.872631      7.610118      5.006214
  C      -4.226638      7.110511      3.609081
  C      -5.683308      6.793155      3.388040
  N      -6.538027      7.027899      4.373618
  C      -7.849196      6.737157      4.153391
  N      -8.395622      6.266046      3.053223
  C      -7.537356      6.011891      2.020450
  C      -8.054982      5.487973      0.809832
  C      -7.203983      5.197988     -0.237842
  C      -5.811178      5.416160     -0.114455
  C      -5.284489      5.935252      1.052193
  C      -6.133896      6.248528      2.141722
  C      -5.866470      2.333832      7.383340
  C      -6.859084      3.490118      7.544776
  C      -8.334226      3.027916      7.546908
  C      -8.817739      2.558192      6.200154
  N      -8.386146      1.363854      5.793210
  C      -8.752270      0.950871      4.555607
  N      -9.497397      1.588394      3.675022
  C     -10.006644      2.789960      4.086627
  C     -10.879973      3.492168      3.222524
  C     -11.441955      4.683565      3.627576
  C     -11.143622      5.222185      4.899596
  C     -10.281988      4.567871      5.754655
  C      -9.692840      3.333999      5.376266
  H      -2.154714      1.532363      2.632194
  H      -3.745283      2.280738      2.779118
  H      -3.153928     -0.279501      4.335562
  H      -3.413230     -0.397428      2.599133
  H      -5.445873     -0.753477      4.213760
  H      -5.438601      0.992099      4.451942
  H      -7.767869      2.723562      1.020550
  H      -7.811693     -1.177077     -1.435516
  H      -6.823574     -3.453995     -1.132709
  H      -5.450921     -3.968675      0.876362
  H      -5.033481     -2.240923      2.588176
  H      -4.985841      6.119544      6.091041
  H      -3.779297      6.964984      7.076454
  H      -2.850846      8.021135      4.988377
  H      -4.549694      8.427138      5.297081
  H      -3.922333      7.855035      2.853827
  H      -3.635094      6.205759      3.383917
  H      -8.518962      6.914653      5.001097
  H      -9.131742      5.323837      0.741453
  H      -7.603917      4.794832     -1.170226
  H      -5.153319      5.180232     -0.952162
  H      -4.210408      6.103278      1.136740
  H      -5.963418      1.651537      8.247574
  H      -6.155958      1.748100      6.500024
  H      -6.661236      4.021593      8.489358
  H      -6.697989      4.216055      6.732527
  H      -8.451348      2.194933      8.257815
  H      -8.955822      3.855972      7.907198
  H      -8.374854     -0.034908      4.259199
  H     -11.100796      3.052321      2.248979
  H     -12.121099      5.220463      2.963745
  H     -11.597183      6.166500      5.203620
  H     -10.062506      5.000179      6.730502
  N      -5.218329      3.653186      4.600447
  N      -6.205913      3.601215      3.986353
  H      -6.461007      2.324193      2.886089
98
Coordinates from ORCA-job orca E -6258.387660316033
  N      -2.610955      2.305748      4.517423
  Mo     -3.653640      3.554971      5.663656
  N      -4.481575      2.736068      7.243400
  C      -3.652015      2.637012      8.448475
  C      -2.211460      2.355480      8.041235
  N      -1.813511      3.273679      6.938727
  C      -0.766180      2.686193      6.062223
  C      -1.399299      1.710732      5.085540
  C      -1.403551      4.614595      7.441372
  C      -1.693411      5.643613      6.352191
  N      -3.059902      5.422364      5.879999
  H      -0.668926      1.483938      4.286818
  H      -1.613828      0.746817      5.589044
  H      -0.314279      3.512652      5.497017
  H       0.023951      2.208358      6.666591
  H      -1.576337      6.661725      6.758124
  H      -0.968987      5.548455      5.524564
  H      -2.020044      4.844413      8.322025
  H      -0.343827      4.602251      7.752657
  H      -4.000231      1.813397      9.096427
  H      -3.710699      3.560647      9.056714
  H      -2.145546      1.329235      7.653080
  H      -1.515175      2.450847      8.892100
  C      -3.040873      1.645465      3.287195
  C      -3.634475      0.231507      3.463624
  C      -5.159493      0.202179      3.734794
  C      -5.982776      0.337252      2.493203
  N      -6.592694      1.502923      2.236151
  C      -7.368099      1.711386      1.124981
  N      -7.572129      0.810561      0.210501
  C      -6.984336     -0.415641      0.397662
  C      -7.197311     -1.421403     -0.567834
  C      -6.632085     -2.670880     -0.397954
  C      -5.841844     -2.960724      0.738144
  C      -5.612657     -1.996999      1.698370
  C      -6.172431     -0.702916      1.547899
  C      -3.997261      6.524183      6.080791
  C      -3.887152      7.606945      4.995996
  C      -4.227758      7.096510      3.599612
  C      -5.683735      6.787225      3.365012
  N      -6.548037      7.036874      4.338574
  C      -7.859141      6.757661      4.104089
  N      -8.396011      6.281138      3.001615
  C      -7.527221      6.008836      1.982249
  C      -8.034279      5.475234      0.771304
  C      -7.173281      5.168075     -0.263165
  C      -5.781005      5.380167     -0.126615
  C      -5.263908      5.907408      1.041168
  C      -6.123626      6.235447      2.118233
  C      -5.874826      2.315559      7.385069
  C      -6.865971      3.466478      7.583861
  C      -8.339861      2.999671      7.588975
  C      -8.825719      2.543692      6.239474
  N      -8.419194      1.339225      5.836203
  C      -8.791047      0.932196      4.598771
  N      -9.519882      1.584293      3.715146
  C      -9.999659      2.799629      4.120915
  C     -10.847303      3.523698      3.249247
  C     -11.372437      4.734986      3.644912
  C     -11.063096      5.271052      4.915430
  C     -10.227047      4.594251      5.778584
  C      -9.675402      3.340361      5.409418
  H      -2.164151      1.565393      2.616861
  H      -3.762312      2.298225      2.773142
  H      -3.137068     -0.267514      4.307376
  H      -3.408416     -0.372944      2.573103
  H      -5.428425     -0.752917      4.210120
  H      -5.429753      0.991527      4.449329
  H      -7.812926      2.704803      1.045871
  H      -7.818281     -1.181792     -1.431070
  H      -6.801888     -3.448325     -1.144462
  H      -5.414572     -3.956501      0.856682
  H      -5.007303     -2.231897      2.573345
  H      -5.024432      6.131416      6.078121
  H      -3.829300      6.981873      7.073671
  H      -2.862015      8.009838      4.987364
  H      -4.561563      8.432206      5.269898
  H      -3.912125      7.833826      2.841827
  H      -3.638510      6.187474      3.387378
  H      -8.537414      6.946283      4.942631
  H      -9.111136      5.317698      0.692106
  H      -7.564830      4.757065     -1.195846
  H      -5.115002      5.133441     -0.954793
  H      -4.189712      6.070342      1.135364
  H      -5.963414      1.613407      8.234102
  H      -6.172244      1.749740      6.491711
  H      -6.662008      3.975284      8.539558
  H      -6.715452      4.214222      6.789182
  H      -8.449739      2.158040      8.290619
  H      -8.962270      3.821045      7.962399
  H      -8.429969     -0.059475      4.303605
  H     -11.076427      3.086793      2.276203
  H     -12.029573      5.290358      2.974193
  H     -11.486914      6.231336      5.211553
  H      -9.995849      5.025940      6.751849
  N      -5.247318      3.643495      4.613230
  N      -6.238290      3.584391      4.003126
  H      -6.479691      2.307819      2.903291
98
Coordinates from ORCA-job orca E -6258.388112998776
  N      -2.619442      2.332240      4.505420
  Mo     -3.669994      3.560908      5.669073
  N      -4.486765      2.720212      7.242451
  C      -3.652047      2.605960      8.442295
  C      -2.211479      2.340672      8.023474
  N      -1.824689      3.279651      6.934667
  C      -0.772905      2.716843      6.047115
  C      -1.397190      1.745743      5.060312
  C      -1.428351      4.616921      7.457115
  C      -1.730252      5.660131      6.385138
  N      -3.093879      5.430401      5.908608
  H      -0.667182      1.539098      4.255612
  H      -1.596302      0.772518      5.552034
  H      -0.334857      3.556754      5.491370
  H       0.025953      2.242189      6.642358
  H      -1.627236      6.672007      6.810073
  H      -1.001802      5.589187      5.558557
  H      -2.045635      4.826419      8.341849
  H      -0.368234      4.610845      7.766137
  H      -3.992595      1.769325      9.077240
  H      -3.713483      3.518016      9.067391
  H      -2.141293      1.322136      7.616759
  H      -1.511440      2.425569      8.872366
  C      -3.050145      1.677450      3.272717
  C      -3.628457      0.256804      3.437005
  C      -5.148341      0.207348      3.733829
  C      -5.988788      0.339539      2.503696
  N      -6.606988      1.501919      2.253571
  C      -7.392015      1.710377      1.149423
  N      -7.599404      0.810115      0.235252
  C      -7.006950     -0.414634      0.416235
  C      -7.226615     -1.420450     -0.547801
  C      -6.655510     -2.668073     -0.384400
  C      -5.852274     -2.955739      0.742843
  C      -5.616331     -1.991974      1.701398
  C      -6.182942     -0.700141      1.558206
  C      -4.030689      6.536124      6.084161
  C      -3.899880      7.611234      4.993999
  C      -4.224973      7.093572      3.596075
  C      -5.680421      6.792889      3.343622
  N      -6.556799      7.060246      4.301909
  C      -7.866755      6.787963      4.052615
  N      -8.391805      6.302347      2.948494
  C      -7.510409      6.009226      1.945707
  C      -8.003802      5.457004      0.737668
  C      -7.130352      5.125680     -0.278861
  C      -5.739026      5.334177     -0.127331
  C      -5.234997      5.879201      1.037782
  C      -6.107129      6.228815      2.097760
  C      -5.876838      2.290916      7.384133
  C      -6.871170      3.433645      7.610585
  C      -8.343354      2.961481      7.610032
  C      -8.826076      2.516888      6.256259
  N      -8.437759      1.306716      5.852192
  C      -8.812642      0.908867      4.612654
  N      -9.532131      1.572972      3.729877
  C      -9.988507      2.797386      4.134351
  C     -10.819128      3.539671      3.261420
  C     -11.313965      4.764620      3.653933
  C     -10.992546      5.295831      4.923437
  C     -10.174615      4.600195      5.788721
  C      -9.654351      3.331919      5.422489
  H      -2.176396      1.609821      2.597027
  H      -3.780660      2.327415      2.767760
  H      -3.109601     -0.250553      4.263064
  H      -3.413675     -0.330768      2.532064
  H      -5.397995     -0.753151      4.208028
  H      -5.417316      0.989425      4.456787
  H      -7.839754      2.702508      1.074472
  H      -7.857112     -1.182436     -1.404542
  H      -6.830621     -3.445489     -1.129503
  H      -5.419715     -3.950256      0.855836
  H      -5.000469     -2.224984      2.569505
  H      -5.058258      6.145439      6.067425
  H      -3.877804      7.001651      7.075922
  H      -2.872259      8.007617      4.996514
  H      -4.572106      8.442742      5.252582
  H      -3.894546      7.824375      2.838217
  H      -3.638359      6.179526      3.396900
  H      -8.555041      6.992021      4.879548
  H      -9.080313      5.303634      0.646718
  H      -7.511286      4.699391     -1.208816
  H      -5.062935      5.069635     -0.941833
  H      -4.161541      6.039620      1.142699
  H      -5.958430      1.570650      8.218840
  H      -6.176686      1.741075      6.481831
  H      -6.666753      3.923367      8.576096
  H      -6.727848      4.198864      6.830984
  H      -8.449610      2.111183      8.301688
  H      -8.969831      3.776280      7.991991
  H      -8.463454     -0.086556      4.315181
  H     -11.058061      3.107164      2.288731
  H     -11.956176      5.334953      2.981264
  H     -11.391770      6.267956      5.216378
  H      -9.931201      5.028729      6.760482
  N      -5.270151      3.650649      4.625878
  N      -6.261567      3.596024      4.017706
  H      -6.509503      2.315221      2.927144
98
Coordinates from ORCA-job orca E -6258.388531105486
  N      -2.622720      2.352518      4.497082
  Mo     -3.681339      3.564242      5.673650
  N      -4.492716      2.705259      7.240086
  C      -3.653877      2.576520      8.435421
  C      -2.212973      2.325662      8.008045
  N      -1.833551      3.282526      6.932274
  C      -0.776888      2.740557      6.037270
  C      -1.392165      1.773634      5.040810
  C      -1.449178      4.615728      7.472892
  C      -1.759647      5.671839      6.416609
  N      -3.120400      5.435244      5.934811
  H      -0.662510      1.585459      4.231295
  H      -1.578086      0.792298      5.521460
  H      -0.349221      3.591622      5.490770
  H       0.027914      2.268308      6.626347
  H      -1.669626      6.677102      6.859681
  H      -1.027143      5.623264      5.592032
  H      -2.068902      4.807123      8.359637
  H      -0.389333      4.614453      7.782160
  H      -3.987810      1.727748      9.057389
  H      -3.718347      3.477431      9.076067
  H      -2.139623      1.314412      7.584543
  H      -1.510425      2.400253      8.855731
  C      -3.056083      1.701439      3.263137
  C      -3.625200      0.277103      3.423649
  C      -5.142756      0.218729      3.733606
  C      -5.995342      0.344168      2.511613
  N      -6.619846      1.503269      2.263193
  C      -7.412491      1.707208      1.164028
  N      -7.621597      0.805021      0.252293
  C      -7.022936     -0.417023      0.431042
  C      -7.243772     -1.424786     -0.530895
  C      -6.664759     -2.669022     -0.370568
  C      -5.851415     -2.951189      0.750830
  C      -5.613957     -1.985526      1.707054
  C      -6.189832     -0.697381      1.567713
  C      -4.051199      6.550100      6.079213
  C      -3.892926      7.614855      4.981312
  C      -4.205054      7.090474      3.582590
  C      -5.661667      6.806084      3.317344
  N      -6.542940      7.098086      4.264072
  C      -7.854051      6.839940      4.007722
  N      -8.376401      6.349004      2.905094
  C      -7.490320      6.028901      1.914805
  C      -7.981795      5.464763      0.711981
  C      -7.104687      5.103583     -0.291312
  C      -5.711707      5.294792     -0.131425
  C      -5.209314      5.852494      1.028372
  C      -6.085176      6.230660      2.075682
  C      -5.880945      2.269154      7.381339
  C      -6.877966      3.405139      7.629108
  C      -8.349125      2.928958      7.625993
  C      -8.831809      2.491703      6.269731
  N      -8.452073      1.280241      5.861173
  C      -8.825416      0.892783      4.617239
  N      -9.539032      1.566918      3.737073
  C      -9.986155      2.793239      4.146109
  C     -10.809578      3.547073      3.276090
  C     -11.294467      4.774030      3.674606
  C     -10.970480      5.295825      4.947439
  C     -10.158144      4.589547      5.809305
  C      -9.649256      3.318570      5.436973
  H      -2.186137      1.642226      2.581914
  H      -3.793521      2.349814      2.766341
  H      -3.095839     -0.231302      4.242600
  H      -3.416562     -0.304366      2.513146
  H      -5.382377     -0.742376      4.211323
  H      -5.408955      1.000643      4.457972
  H      -7.862407      2.698264      1.089856
  H      -7.881207     -1.190950     -1.383808
  H      -6.840702     -3.447771     -1.113798
  H      -5.411756     -3.943179      0.860829
  H      -4.989584     -2.213945      2.570357
  H      -5.080824      6.166529      6.048521
  H      -3.912200      7.025165      7.068329
  H      -2.860953      7.999549      4.995392
  H      -4.558715      8.456260      5.222819
  H      -3.856839      7.810925      2.822700
  H      -3.626573      6.168330      3.398092
  H      -8.545809      7.064299      4.826366
  H      -9.060163      5.324701      0.616175
  H      -7.483761      4.666570     -1.216799
  H      -5.032941      5.007917     -0.936237
  H      -4.134441      6.001718      1.138146
  H      -5.956647      1.535054      8.204605
  H      -6.183302      1.731942      6.472140
  H      -6.671771      3.879433      8.601865
  H      -6.740599      4.182731      6.860736
  H      -8.452472      2.072897      8.310752
  H      -8.978862      3.739508      8.013162
  H      -8.485559     -0.104859      4.315554
  H     -11.051836      3.121650      2.301113
  H     -11.930869      5.353387      3.004327
  H     -11.362099      6.269923      5.244624
  H      -9.910962      5.010590      6.783597
  N      -5.286334      3.650351      4.636406
  N      -6.279109      3.595426      4.032055
  H      -6.521857      2.319433      2.932087
98
Coordinates from ORCA-job orca E -6258.388988924860
  N      -2.639875      2.386040      4.485044
  Mo     -3.699231      3.579622      5.680475
  N      -4.499124      2.697093      7.240690
  C      -3.652229      2.554825      8.428736
  C      -2.212523      2.318497      7.988858
  N      -1.845037      3.293830      6.925749
  C      -0.788235      2.772855      6.018420
  C      -1.400341      1.812413      5.013647
  C      -1.469557      4.622211      7.484445
  C      -1.789990      5.691170      6.444363
  N      -3.149473      5.450161      5.960853
  H      -0.674179      1.640962      4.197231
  H      -1.574089      0.823910      5.483911
  H      -0.371788      3.634945      5.480721
  H       0.024223      2.300887      6.597032
  H      -1.708481      6.690037      6.903480
  H      -1.056727      5.661855      5.619466
  H      -2.089370      4.794977      8.374719
  H      -0.409097      4.625224      7.791285
  H      -3.977150      1.694575      9.039508
  H      -3.717218      3.444795      9.084466
  H      -2.137380      1.314822      7.548328
  H      -1.504448      2.382938      8.832721
  C      -3.077464      1.742689      3.248117
  C      -3.636118      0.312853      3.401533
  C      -5.149467      0.243824      3.732504
  C      -6.018444      0.366738      2.522350
  N      -6.655424      1.521739      2.285016
  C      -7.462591      1.722236      1.195575
  N      -7.673902      0.821254      0.283334
  C      -7.063720     -0.396395      0.451434
  C      -7.287551     -1.403059     -0.511230
  C      -6.696872     -2.643002     -0.361568
  C      -5.868248     -2.921915      0.749451
  C      -5.627491     -1.957355      1.705856
  C      -6.215459     -0.673636      1.577412
  C      -4.078203      6.568690      6.082814
  C      -3.900136      7.621304      4.977029
  C      -4.190174      7.081322      3.579333
  C      -5.642594      6.795028      3.293998
  N      -6.538823      7.103344      4.221136
  C      -7.845953      6.844632      3.946873
  N      -8.351595      6.341628      2.841765
  C      -7.450006      6.004726      1.871257
  C      -7.923040      5.427958      0.666937
  C      -7.030202      5.050509     -0.316321
  C      -5.639393      5.236653     -0.133992
  C      -5.154911      5.806737      1.027134
  C      -6.047088      6.203234      2.053679
  C      -5.883697      2.250346      7.385281
  C      -6.887159      3.374721      7.659988
  C      -8.353802      2.883940      7.654304
  C      -8.831607      2.454887      6.293486
  N      -8.465971      1.238821      5.886197
  C      -8.833148      0.859940      4.637503
  N      -9.529183      1.546268      3.752805
  C      -9.963034      2.777787      4.160844
  C     -10.768380      3.545288      3.286253
  C     -11.240372      4.777224      3.684614
  C     -10.920663      5.290525      4.962067
  C     -10.124843      4.571054      5.828222
  C      -9.630178      3.294785      5.455736
  H      -2.210592      1.693840      2.562036
  H      -3.821545      2.390234      2.760474
  H      -3.090690     -0.202912      4.205018
  H      -3.440435     -0.256264      2.480281
  H      -5.375518     -0.720735      4.209512
  H      -5.411220      1.020571      4.463786
  H      -7.920857      2.709803      1.129330
  H      -7.936472     -1.171946     -1.356183
  H      -6.875039     -3.420900     -1.105091
  H      -5.419336     -3.910760      0.851002
  H      -4.991200     -2.183018      2.561041
  H      -5.108347      6.187252      6.041461
  H      -3.951319      7.052831      7.069119
  H      -2.867257      8.002959      5.003545
  H      -4.566715      8.467512      5.198092
  H      -3.827488      7.790712      2.815882
  H      -3.610554      6.155577      3.416773
  H      -8.549762      7.081354      4.751574
  H      -9.000178      5.290831      0.554157
  H      -7.395188      4.602901     -1.242355
  H      -4.948119      4.935204     -0.922625
  H      -4.081839      5.954063      1.153230
  H      -5.948889      1.501026      8.195467
  H      -6.190049      1.726630      6.469551
  H      -6.678895      3.832581      8.640060
  H      -6.760436      4.165974      6.904359
  H      -8.446372      2.019256      8.329454
  H      -8.993465      3.683676      8.048365
  H      -8.506723     -0.142543      4.336699
  H     -11.008406      3.125898      2.308133
  H     -11.863276      5.367021      3.010900
  H     -11.302298      6.268755      5.258813
  H      -9.880480      4.985235      6.806311
  N      -5.312611      3.666240      4.654173
  N      -6.311257      3.604920      4.061255
  H      -6.553732      2.328870      2.957167
98
Coordinates from ORCA-job orca E -6258.389468827208
  N      -2.663980      2.429760      4.470863
  Mo     -3.722250      3.597659      5.692112
  N      -4.507192      2.684232      7.244789
  C      -3.648425      2.526210      8.422137
  C      -2.210834      2.308601      7.965445
  N      -1.859673      3.306775      6.917936
  C      -0.803669      2.812991      5.994324
  C      -1.412729      1.862574      4.978158
  C      -1.494276      4.628527      7.499359
  C      -1.828441      5.713921      6.481035
  N      -3.186172      5.467062      5.995340
  H      -0.692430      1.713429      4.152290
  H      -1.571301      0.865093      5.434169
  H      -0.401175      3.689087      5.468590
  H       0.018530      2.340775      6.558743
  H      -1.757686      6.703926      6.961122
  H      -1.095416      5.710153      5.655106
  H      -2.113428      4.776720      8.394372
  H      -0.432616      4.637061      7.802133
  H      -3.960724      1.652093      9.019793
  H      -3.713032      3.402662      9.096115
  H      -2.134157      1.314547      7.504000
  H      -1.494753      2.360769      8.803376
  C      -3.109348      1.798600      3.230038
  C      -3.646863      0.359020      3.372915
  C      -5.154965      0.267103      3.725935
  C      -6.044692      0.393697      2.531911
  N      -6.706030      1.540942      2.323183
  C      -7.538495      1.739544      1.252259
  N      -7.749775      0.847819      0.331035
  C      -7.113901     -0.359990      0.470072
  C      -7.337329     -1.357267     -0.502707
  C      -6.722322     -2.588334     -0.381445
  C      -5.869214     -2.867731      0.710985
  C      -5.628868     -1.912585      1.676742
  C      -6.240776     -0.637659      1.576553
  C      -4.113899      6.588737      6.087237
  C      -3.913751      7.622339      4.968736
  C      -4.177037      7.056604      3.576094
  C      -5.623106      6.764245      3.267333
  N      -6.538888      7.096131      4.166537
  C      -7.840102      6.833520      3.869451
  N      -8.322649      6.308841      2.763663
  C      -7.400508      5.948680      1.821192
  C      -7.847529      5.352313      0.616299
  C      -6.933551      4.952056     -0.338063
  C      -5.546461      5.131948     -0.124694
  C      -5.087155      5.720623      1.037106
  C      -6.001516      6.144521      2.032701
  C      -5.889717      2.233809      7.397782
  C      -6.892643      3.353694      7.695796
  C      -8.357138      2.856705      7.694083
  C      -8.834105      2.428236      6.332292
  N      -8.486818      1.204591      5.933198
  C      -8.849240      0.827807      4.682098
  N      -9.522516      1.524606      3.788332
  C      -9.940028      2.764753      4.188728
  C     -10.720039      3.545269      3.303102
  C     -11.173203      4.786916      3.693204
  C     -10.857886      5.297188      4.973162
  C     -10.085431      4.564902      5.849743
  C      -9.611124      3.279026      5.485132
  H      -2.250076      1.770361      2.533030
  H      -3.867204      2.443047      2.760309
  H      -3.081659     -0.161779      4.158699
  H      -3.461699     -0.194106      2.439882
  H      -5.359381     -0.707225      4.192873
  H      -5.415108      1.029657      4.472115
  H      -8.018282      2.717786      1.210675
  H      -8.005376     -1.126522     -1.332622
  H      -6.900034     -3.359198     -1.132536
  H      -5.401268     -3.849620      0.790114
  H      -4.973679     -2.138452      2.517346
  H      -5.143948      6.208055      6.034790
  H      -4.001837      7.086875      7.068281
  H      -2.880477      8.002059      5.007927
  H      -4.581924      8.474040      5.162103
  H      -3.796886      7.748663      2.805470
  H      -3.596142      6.126479      3.445359
  H      -8.559763      7.085840      4.655149
  H      -8.922202      5.218611      0.479972
  H      -7.279248      4.489207     -1.264093
  H      -4.838493      4.809186     -0.889614
  H      -4.016841      5.863726      1.187566
  H      -5.946538      1.473252      8.197615
  H      -6.205712      1.722757      6.478175
  H      -6.675706      3.800614      8.678820
  H      -6.772772      4.150915      6.946215
  H      -8.444133      1.989762      8.366848
  H      -9.001725      3.652858      8.087733
  H      -8.534374     -0.179534      4.385054
  H     -10.956578      3.127841      2.323284
  H     -11.776793      5.386742      3.011049
  H     -11.224923      6.282811      5.263094
  H      -9.844327      4.976266      6.829847
  N      -5.346114      3.685667      4.679718
  N      -6.355438      3.614252      4.105453
  H      -6.603678      2.341876      2.998913
98
Coordinates from ORCA-job orca E -6258.389944166870
  N      -2.685172      2.464574      4.458901
  Mo     -3.743470      3.609018      5.701930
  N      -4.514979      2.669865      7.247870
  C      -3.646961      2.500213      8.416360
  C      -2.211410      2.298639      7.946178
  N      -1.874288      3.315600      6.911850
  C      -0.818796      2.845888      5.975111
  C      -1.423938      1.904424      4.948547
  C      -1.517786      4.631393      7.512146
  C      -1.864540      5.730079      6.512867
  N      -3.220336      5.477969      6.024555
  H      -0.708102      1.775955      4.115448
  H      -1.568356      0.898726      5.390875
  H      -0.428250      3.733880      5.460151
  H       0.011495      2.374038      6.527915
  H      -1.803834      6.712031      7.010946
  H      -1.131964      5.749331      5.686335
  H      -2.135578      4.759123      8.411187
  H      -0.455088      4.644559      7.811152
  H      -3.948844      1.615174      9.003474
  H      -3.711740      3.365998      9.104269
  H      -2.132674      1.312473      7.468188
  H      -1.489118      2.341803      8.779322
  C      -3.134021      1.845295      3.213378
  C      -3.649890      0.396462      3.340719
  C      -5.150633      0.277491      3.716742
  C      -6.058809      0.402882      2.536747
  N      -6.739327      1.542363      2.347780
  C      -7.590691      1.737387      1.290691
  N      -7.799794      0.851967      0.363107
  C      -7.143328     -0.346858      0.481492
  C      -7.363347     -1.337393     -0.498910
  C      -6.728155     -2.560024     -0.398137
  C      -5.857626     -2.837557      0.681080
  C      -5.620152     -1.888831      1.653747
  C      -6.252264     -0.622252      1.574100
  C      -4.145339      6.603693      6.089712
  C      -3.923871      7.622026      4.961481
  C      -4.165361      7.037463      3.572728
  C      -5.607075      6.746847      3.243578
  N      -6.537077      7.101805      4.118983
  C      -7.834399      6.843149      3.802424
  N      -8.300306      6.303844      2.696378
  C      -7.363368      5.920486      1.777962
  C      -7.792017      5.309234      0.573826
  C      -6.863318      4.883701     -0.355044
  C      -5.479021      5.051842     -0.116016
  C      -5.037216      5.655225      1.045154
  C      -5.967038      6.106563      2.014029
  C      -5.895303      2.216309      7.406993
  C      -6.896350      3.333013      7.725206
  C      -8.360486      2.835384      7.728542
  C      -8.841767      2.411658      6.366754
  N      -8.515192      1.181085      5.972206
  C      -8.880711      0.807305      4.720970
  N      -9.539357      1.513635      3.823938
  C      -9.935333      2.762610      4.219364
  C     -10.695174      3.555886      3.327764
  C     -11.123933      4.808207      3.711773
  C     -10.803056      5.316095      4.991409
  C     -10.049132      4.570970      5.873572
  C      -9.600415      3.274440      5.514953
  H      -2.280279      1.838312      2.508872
  H      -3.904257      2.486087      2.759054
  H      -3.064201     -0.130831      4.106546
  H      -3.474240     -0.137438      2.394778
  H      -5.331962     -0.705307      4.175640
  H      -5.411037      1.027285      4.475539
  H      -8.085679      2.708371      1.265194
  H      -8.045050     -1.108564     -1.318115
  H      -6.903259     -3.325941     -1.155042
  H      -5.373914     -3.812785      0.744075
  H      -4.951238     -2.113231      2.483880
  H      -5.175724      6.225748      6.027115
  H      -4.045116      7.112760      7.066449
  H      -2.890126      7.999102      5.012779
  H      -4.592300      8.478493      5.131770
  H      -3.768283      7.715793      2.798512
  H      -3.587219      6.102591      3.466140
  H      -8.566168      7.113645      4.570619
  H      -8.865104      5.184096      0.417997
  H      -7.195487      4.408970     -1.280088
  H      -4.759403      4.707574     -0.860423
  H      -3.968784      5.788778      1.216160
  H      -5.945363      1.446229      8.197860
  H      -6.218974      1.716600      6.483861
  H      -6.671564      3.769248      8.711132
  H      -6.780785      4.136990      6.982186
  H      -8.444766      1.966011      8.398185
  H      -9.004363      3.630138      8.125831
  H      -8.581738     -0.205393      4.426618
  H     -10.935979      3.140170      2.348203
  H     -11.711448      5.418414      3.024875
  H     -11.151295      6.309848      5.276516
  H      -9.802929      4.980606      6.853040
  N      -5.375749      3.694001      4.700270
  N      -6.390987      3.612384      4.138221
  H      -6.636629      2.335698      3.032641
98
Coordinates from ORCA-job orca E -6258.390411889363
  N      -2.708307      2.503021      4.444953
  Mo     -3.765752      3.617084      5.713749
  N      -4.525057      2.646095      7.250557
  C      -3.648606      2.468286      8.410598
  C      -2.214988      2.283920      7.928765
  N      -1.892279      3.319837      6.907433
  C      -0.837316      2.876219      5.957523
  C      -1.437742      1.948694      4.916352
  C      -1.542762      4.628585      7.528068
  C      -1.902741      5.742207      6.551340
  N      -3.255348      5.485171      6.058212
  H      -0.725993      1.844907      4.076661
  H      -1.568239      0.933016      5.339787
  H      -0.456331      3.776902      5.456577
  H      -0.000265      2.402280      6.498456
  H      -1.853134      6.714449      7.070110
  H      -1.172117      5.788982      5.723082
  H      -2.158058      4.734818      8.431936
  H      -0.478571      4.644746      7.822349
  H      -3.939536      1.573141      8.988944
  H      -3.714843      3.325308      9.109979
  H      -2.132167      1.304756      7.436162
  H      -1.487701      2.320236      8.757967
  C      -3.156432      1.901793      3.191057
  C      -3.640003      0.441118      3.293467
  C      -5.129097      0.277576      3.695172
  C      -6.058517      0.402113      2.531907
  N      -6.763557      1.530028      2.371137
  C      -7.636018      1.723494      1.330547
  N      -7.839018      0.850287      0.390330
  C      -7.154194     -0.335480      0.478460
  C      -7.363399     -1.311869     -0.517853
  C      -6.700168     -2.521879     -0.447598
  C      -5.811763     -2.800632      0.616979
  C      -5.584227     -1.865035      1.604622
  C      -6.243970     -0.610819      1.555297
  C      -4.177890      6.615991      6.090330
  C      -3.938800      7.615995      4.947812
  C      -4.158825      7.009043      3.565370
  C      -5.595725      6.718912      3.217085
  N      -6.540075      7.103542      4.064110
  C      -7.833130      6.845571      3.729144
  N      -8.281333      6.278680      2.629364
  C      -7.329351      5.866754      1.739279
  C      -7.738594      5.228058      0.542743
  C      -6.795414      4.768723     -0.354630
  C      -5.414539      4.929940     -0.091284
  C      -4.990745      5.560640      1.062977
  C      -5.936377      6.047147      1.999030
  C      -5.904459      2.196659      7.417233
  C      -6.893594      3.320841      7.750573
  C      -8.362553      2.841997      7.770417
  C      -8.863676      2.422415      6.414576
  N      -8.565862      1.183489      6.024960
  C      -8.949159      0.809108      4.779140
  N      -9.599903      1.524012      3.883369
  C      -9.963543      2.785094      4.272291
  C     -10.702852      3.591735      3.375238
  C     -11.093358      4.860038      3.749266
  C     -10.753115      5.369201      5.023532
  C     -10.017798      4.609942      5.910529
  C      -9.608089      3.297859      5.562158
  H      -2.309633      1.927471      2.478393
  H      -3.943416      2.537144      2.757492
  H      -3.029726     -0.091899      4.035403
  H      -3.470245     -0.066675      2.332467
  H      -5.276099     -0.718247      4.138850
  H      -5.393743      1.007051      4.472301
  H      -8.151707      2.683817      1.329372
  H      -8.059732     -1.082685     -1.324603
  H      -6.866951     -3.277408     -1.216937
  H      -5.306646     -3.765701      0.656240
  H      -4.901157     -2.090893      2.423038
  H      -5.208397      6.240506      6.021473
  H      -4.087184      7.139030      7.060754
  H      -2.906216      7.994955      5.008854
  H      -4.610957      8.474408      5.093591
  H      -3.745273      7.672471      2.786882
  H      -3.585020      6.069458      3.483911
  H      -8.577716      7.142796      4.474427
  H      -8.809852      5.107977      0.369239
  H      -7.113826      4.272692     -1.273601
  H      -4.683591      4.558171     -0.810919
  H      -3.924269      5.685707      1.256077
  H      -5.951631      1.421885      8.203405
  H      -6.239918      1.708150      6.491963
  H      -6.652586      3.750937      8.735205
  H      -6.773177      4.124716      7.007512
  H      -8.455044      1.976653      8.443673
  H      -8.989685      3.647456      8.170999
  H      -8.672141     -0.210259      4.488215
  H     -10.957785      3.175049      2.399533
  H     -11.663270      5.481912      3.058027
  H     -11.072771      6.374294      5.301651
  H      -9.755888      5.021398      6.884784
  N      -5.405157      3.698830      4.719504
  N      -6.425326      3.604264      4.168666
  H      -6.672067      2.318441      3.070105
98
Coordinates from ORCA-job orca E -6258.390929754712
  N      -2.725545      2.537496      4.430968
  Mo     -3.785982      3.626916      5.719881
  N      -4.529937      2.629905      7.247939
  C      -3.644969      2.439566      8.399364
  C      -2.213312      2.273057      7.905271
  N      -1.904895      3.328121      6.899236
  C      -0.850049      2.909844      5.937843
  C      -1.445885      1.990801      4.886482
  C      -1.564994      4.629503      7.539959
  C      -1.939305      5.756752      6.585326
  N      -3.289965      5.493605      6.089631
  H      -0.738088      1.907775      4.040904
  H      -1.561603      0.967180      5.295016
  H      -0.481225      3.821808      5.448554
  H      -0.005522      2.437239      6.468119
  H      -1.901348      6.718578      7.124264
  H      -1.210101      5.830223      5.757581
  H      -2.177257      4.715079      8.447814
  H      -0.500070      4.649845      7.829956
  H      -3.926064      1.533331      8.964964
  H      -3.712700      3.284823      9.112714
  H      -2.126865      1.302887      7.395926
  H      -1.480929      2.300881      8.730259
  C      -3.177203      1.945419      3.173595
  C      -3.644686      0.479613      3.265321
  C      -5.125784      0.298622      3.687995
  C      -6.075796      0.414650      2.540461
  N      -6.795556      1.534705      2.392153
  C      -7.688990      1.719374      1.368085
  N      -7.899245      0.844380      0.431370
  C      -7.198663     -0.333451      0.505466
  C      -7.412998     -1.310815     -0.488670
  C      -6.733979     -2.512711     -0.431792
  C      -5.824259     -2.782356      0.616786
  C      -5.591192     -1.845469      1.601939
  C      -6.266848     -0.599292      1.566021
  C      -4.206058      6.629444      6.097794
  C      -3.943054      7.618777      4.951063
  C      -4.144125      6.999788      3.570910
  C      -5.577742      6.717600      3.201233
  N      -6.533176      7.123184      4.025917
  C      -7.822720      6.875267      3.670416
  N      -8.257190      6.302137      2.568387
  C      -7.293608      5.867684      1.701673
  C      -7.688016      5.219596      0.505353
  C      -6.734001      4.732929     -0.365821
  C      -5.356603      4.876590     -0.076109
  C      -4.946824      5.518402      1.077083
  C      -5.903594      6.032172      1.986666
  C      -5.907428      2.176545      7.418909
  C      -6.896382      3.295342      7.769934
  C      -8.363989      2.813327      7.789856
  C      -8.862836      2.394680      6.433316
  N      -8.578273      1.150651      6.049762
  C      -8.957059      0.777629      4.801915
  N      -9.592069      1.498628      3.899254
  C      -9.940561      2.765957      4.281365
  C     -10.661543      3.580306      3.376473
  C     -11.034941      4.855811      3.743527
  C     -10.695920      5.364330      5.018354
  C      -9.978293      4.597302      5.913056
  C      -9.587293      3.277733      5.572249
  H      -2.337927      1.988167      2.452845
  H      -3.975472      2.576694      2.754881
  H      -3.018703     -0.054539      3.993663
  H      -3.482419     -0.016740      2.296917
  H      -5.256082     -0.698876      4.132618
  H      -5.385475      1.024555      4.470486
  H      -8.215858      2.673299      1.378049
  H      -8.125836     -1.088809     -1.282918
  H      -6.904638     -3.268870     -1.199489
  H      -5.306709     -3.741473      0.645770
  H      -4.891189     -2.064157      2.407867
  H      -5.237398      6.258967      6.016270
  H      -4.126756      7.159664      7.065340
  H      -2.910180      7.993934      5.025565
  H      -4.613474      8.481117      5.078221
  H      -3.713675      7.653764      2.793445
  H      -3.575588      6.055482      3.506872
  H      -8.577423      7.188391      4.398901
  H      -8.757355      5.113410      0.311935
  H      -7.041135      4.228528     -1.283893
  H      -4.616671      4.483809     -0.775229
  H      -3.882968      5.629522      1.290544
  H      -5.948437      1.393602      8.197339
  H      -6.247504      1.697095      6.490415
  H      -6.652524      3.714248      8.758785
  H      -6.780590      4.108726      7.036454
  H      -8.454121      1.946552      8.461383
  H      -8.992838      3.617117      8.192272
  H      -8.691545     -0.246867      4.516341
  H     -10.916225      3.164561      2.400264
  H     -11.589806      5.484280      3.045859
  H     -11.002244      6.375515      5.290986
  H      -9.715763      5.008286      6.887606
  N      -5.433706      3.706682      4.737975
  N      -6.456204      3.610035      4.193485
  H      -6.705233      2.323245      3.086586
98
Coordinates from ORCA-job orca E -6258.391459425743
  N      -2.751339      2.580940      4.410382
  Mo     -3.810062      3.642139      5.724479
  N      -4.533995      2.612627      7.240964
  C      -3.638570      2.409955      8.382243
  C      -2.209608      2.263677      7.873986
  N      -1.918942      3.339464      6.884965
  C      -0.867153      2.949361      5.908623
  C      -1.461504      2.041373      4.846289
  C      -1.586602      4.631796      7.548061
  C      -1.977041      5.774549      6.619642
  N      -3.326099      5.505821      6.122197
  H      -0.759518      1.981192      3.993694
  H      -1.560823      1.009083      5.237054
  H      -0.511922      3.873478      5.432894
  H      -0.013760      2.476958      6.424573
  H      -1.950097      6.724168      7.180538
  H      -1.250987      5.877440      5.792354
  H      -2.192859      4.695096      8.461375
  H      -0.520387      4.655353      7.831421
  H      -3.908234      1.492602      8.934675
  H      -3.707540      3.242638      9.109617
  H      -2.118145      1.303715      7.347280
  H      -1.471247      2.283622      8.693755
  C      -3.209267      1.999906      3.149439
  C      -3.660143      0.529002      3.227883
  C      -5.131144      0.329337      3.676665
  C      -6.103661      0.435476      2.546594
  N      -6.840285      1.546310      2.411760
  C      -7.753715      1.719957      1.403707
  N      -7.968538      0.843007      0.469635
  C      -7.251072     -0.325538      0.529773
  C      -7.468698     -1.304545     -0.462106
  C      -6.772666     -2.497171     -0.418103
  C      -5.842438     -2.755862      0.614779
  C      -5.605762     -1.817066      1.597356
  C      -6.298598     -0.580147      1.574468
  C      -4.236771      6.645096      6.109583
  C      -3.952324      7.628268      4.962830
  C      -4.125357      6.999542      3.583375
  C      -5.551266      6.713303      3.186191
  N      -6.524601      7.134179      3.981721
  C      -7.806083      6.881552      3.600895
  N      -8.216320      6.289491      2.499457
  C      -7.233614      5.837117      1.663542
  C      -7.600949      5.164834      0.471984
  C      -6.627700      4.657013     -0.365174
  C      -5.257515      4.804112     -0.045763
  C      -4.873859      5.470585      1.101986
  C      -5.850293      6.005329      1.977419
  C      -5.909571      2.155380      7.418705
  C      -6.897389      3.269810      7.787290
  C      -8.364545      2.786995      7.809987
  C      -8.865432      2.367317      6.455026
  N      -8.592345      1.119546      6.074690
  C      -8.970188      0.748927      4.825624
  N      -9.593561      1.475897      3.919104
  C      -9.928312      2.747598      4.297785
  C     -10.633595      3.570490      3.388430
  C     -10.990226      4.851939      3.751520
  C     -10.650876      5.357543      5.027145
  C      -9.948460      4.582144      5.926354
  C      -9.574695      3.256861      5.589233
  H      -2.379157      2.061237      2.419632
  H      -4.020074      2.626415      2.748144
  H      -3.014512     -0.008361      3.937197
  H      -3.510334      0.047377      2.249655
  H      -5.242146     -0.669786      4.121762
  H      -5.384753      1.051270      4.465107
  H      -8.295559      2.664946      1.425384
  H      -8.197678     -1.091027     -1.244005
  H      -6.945689     -3.254260     -1.184089
  H      -5.311455     -3.708258      0.634060
  H      -4.889608     -2.027564      2.391114
  H      -5.268097      6.277658      6.013961
  H      -4.169991      7.179857      7.075347
  H      -2.922210      8.006413      5.055223
  H      -4.627136      8.489216      5.072058
  H      -3.680409      7.649326      2.810401
  H      -3.555152      6.055048      3.536459
  H      -8.577017      7.206786      4.306925
  H      -8.665509      5.056678      0.255822
  H      -6.913858      4.133064     -1.278728
  H      -4.501645      4.395463     -0.718381
  H      -3.815653      5.584108      1.337825
  H      -5.943911      1.365589      8.190637
  H      -6.255133      1.683642      6.488160
  H      -6.648378      3.678829      8.779191
  H      -6.786341      4.091675      7.062748
  H      -8.451924      1.920146      8.481835
  H      -8.993561      3.591129      8.214391
  H      -8.712834     -0.278432      4.542575
  H     -10.890216      3.157172      2.411794
  H     -11.532298      5.487096      3.050040
  H     -10.945238      6.373100      5.297601
  H      -9.684663      4.990472      6.902022
  N      -5.466003      3.720877      4.755607
  N      -6.490039      3.622607      4.215225
  H      -6.738325      2.338526      3.099092
98
Coordinates from ORCA-job orca E -6258.392013522137
  N      -2.778610      2.628832      4.384844
  Mo     -3.836622      3.658287      5.724842
  N      -4.537128      2.591408      7.226863
  C      -3.631842      2.377266      8.358463
  C      -2.205207      2.256462      7.837731
  N      -1.934914      3.354226      6.867651
  C      -0.886389      2.995896      5.876103
  C      -1.478166      2.099088      4.802286
  C      -1.611942      4.636894      7.554524
  C      -2.019008      5.794330      6.652866
  N      -3.365263      5.518822      6.151960
  H      -0.781493      2.063483      3.943644
  H      -1.559053      1.058098      5.174003
  H      -0.546423      3.933041      5.415442
  H      -0.023339      2.524522      6.376699
  H      -2.004531      6.731314      7.235267
  H      -1.295718      5.927213      5.827460
  H      -2.212016      4.677114      8.473050
  H      -0.544541      4.664421      7.831963
  H      -3.888832      1.447720      8.895796
  H      -3.704985      3.196130      9.100518
  H      -2.104605      1.307728      7.293312
  H      -1.461859      2.270528      8.653071
  C      -3.239616      2.057172      3.120226
  C      -3.673539      0.581394      3.187674
  C      -5.134668      0.364714      3.659397
  C      -6.126082      0.460454      2.544851
  N      -6.877338      1.562693      2.419834
  C      -7.807349      1.724720      1.425189
  N      -8.024646      0.844381      0.494499
  C      -7.292717     -0.315409      0.544490
  C      -7.511842     -1.297282     -0.444420
  C      -6.800880     -2.481348     -0.409327
  C      -5.854203     -2.728510      0.611020
  C      -5.615607     -1.786582      1.590182
  C      -6.323596     -0.558204      1.576360
  C      -4.272911      6.659602      6.119124
  C      -3.969355      7.639581      4.974227
  C      -4.107686      7.000878      3.595729
  C      -5.522723      6.700115      3.170593
  N      -6.516435      7.135158      3.932448
  C      -7.787227      6.867094      3.527055
  N      -8.168693      6.245528      2.431677
  C      -7.164162      5.775978      1.631700
  C      -7.499987      5.068347      0.451573
  C      -6.504823      4.541614     -0.347294
  C      -5.143471      4.705153      0.000179
  C      -4.790226      5.406807      1.136396
  C      -5.789447      5.960668      1.972954
  C      -5.910507      2.128563      7.411262
  C      -6.895066      3.237271      7.803758
  C      -8.363569      2.758734      7.829312
  C      -8.871991      2.348956      6.474697
  N      -8.615949      1.099114      6.088548
  C      -9.004214      0.738318      4.839636
  N      -9.623309      1.476696      3.938900
  C      -9.937290      2.751626      4.323058
  C     -10.631934      3.589560      3.419067
  C     -10.964058      4.876296      3.786730
  C     -10.613311      5.371368      5.063179
  C      -9.922779      4.580712      5.958060
  C      -9.571421      3.250976      5.614719
  H      -2.417215      2.136480      2.383625
  H      -4.062461      2.677456      2.733883
  H      -3.010287      0.043547      3.880910
  H      -3.533414      0.111569      2.202167
  H      -5.229452     -0.634884      4.106124
  H      -5.383100      1.084216      4.451794
  H      -8.361828      2.661845      1.454524
  H      -8.253788     -1.092551     -1.216451
  H      -6.974713     -3.240326     -1.173118
  H      -5.311496     -3.674690      0.623805
  H      -4.886381     -1.988642      2.374111
  H      -5.303006      6.292448      6.007552
  H      -4.221246      7.198050      7.083680
  H      -2.944751      8.026582      5.087009
  H      -4.653651      8.494979      5.064829
  H      -3.652060      7.649294      2.827612
  H      -3.529601      6.060385      3.567089
  H      -8.576654      7.205687      4.205833
  H      -8.558689      4.947989      0.214473
  H      -6.766465      3.989590     -1.251417
  H      -4.369310      4.282076     -0.642173
  H      -3.738639      5.532203      1.393284
  H      -5.937276      1.329085      8.173604
  H      -6.262359      1.667934      6.477384
  H      -6.638597      3.631387      8.799977
  H      -6.787490      4.070831      7.092554
  H      -8.450147      1.887874      8.496366
  H      -8.988053      3.562664      8.243209
  H      -8.761973     -0.291692      4.552621
  H     -10.900494      3.184240      2.442361
  H     -11.496715      5.523001      3.088717
  H     -10.890390      6.390370      5.339138
  H      -9.650396      4.980519      6.935174
  N      -5.500227      3.733746      4.769069
  N      -6.523486      3.633723      4.228364
  H      -6.771854      2.355898      3.100341
98
Coordinates from ORCA-job orca E -6258.392553010751
  N      -2.811866      2.676348      4.361859
  Mo     -3.866041      3.675166      5.727344
  N      -4.544146      2.572370      7.215156
  C      -3.629095      2.346111      8.336531
  C      -2.205419      2.249714      7.804066
  N      -1.954759      3.368132      6.852686
  C      -0.911137      3.040819      5.845665
  C      -1.501524      2.156514      4.760788
  C      -1.638866      4.640595      7.562004
  C      -2.059766      5.811261      6.684935
  N      -3.403107      5.532403      6.179481
  H      -0.810660      2.144891      3.896700
  H      -1.565354      1.107819      5.113856
  H      -0.586254      3.990482      5.399821
  H      -0.038156      2.570090      6.329554
  H      -2.055389      6.736526      7.286348
  H      -1.338446      5.969856      5.862011
  H      -2.232833      4.659085      8.485327
  H      -0.569984      4.671277      7.833759
  H      -3.874288      1.404701      8.858602
  H      -3.705149      3.151015      9.093455
  H      -2.096734      1.311827      7.242692
  H      -1.456841      2.258044      8.614746
  C      -3.273887      2.119336      3.091316
  C      -3.686002      0.636148      3.137030
  C      -5.133572      0.391177      3.635112
  C      -6.143637      0.474888      2.536881
  N      -6.911158      1.567272      2.423422
  C      -7.857566      1.716939      1.441863
  N      -8.075058      0.834278      0.513412
  C      -7.326267     -0.314712      0.551400
  C      -7.544226     -1.297792     -0.436690
  C      -6.815749     -2.471488     -0.413158
  C      -5.852339     -2.706695      0.594334
  C      -5.614554     -1.763205      1.572227
  C      -6.340395     -0.545263      1.570005
  C      -4.308486      6.674599      6.126030
  C      -3.987284      7.649978      4.981371
  C      -4.091389      7.000666      3.605163
  C      -5.494612      6.681114      3.155511
  N      -6.507124      7.129093      3.884074
  C      -7.767019      6.843856      3.457393
  N      -8.121232      6.192599      2.370256
  C      -7.096696      5.708937      1.604868
  C      -7.403192      4.969838      0.436337
  C      -6.388499      4.425560     -0.325296
  C      -5.035915      4.605145      0.047767
  C      -4.710703      5.339683      1.171735
  C      -5.730662      5.910202      1.971204
  C      -5.915154      2.104725      7.407508
  C      -6.893477      3.208518      7.826457
  C      -8.364188      2.736810      7.858265
  C      -8.882719      2.340821      6.503741
  N      -8.646201      1.088802      6.112306
  C      -9.045173      0.737544      4.864118
  N      -9.656814      1.488018      3.968333
  C      -9.947592      2.767130      4.356615
  C     -10.628517      3.619995      3.455877
  C     -10.934625      4.912493      3.826052
  C     -10.571926      5.398077      5.102868
  C      -9.896026      4.592062      5.995463
  C      -9.569954      3.256825      5.648575
  H      -2.457821      2.222754      2.350674
  H      -4.108345      2.733659      2.720717
  H      -3.000910      0.093676      3.804881
  H      -3.559133      0.188170      2.139796
  H      -5.205059     -0.611466      4.079049
  H      -5.380187      1.103185      4.434663
  H      -8.425633      2.645099      1.479565
  H      -8.299157     -1.102159     -1.198447
  H      -6.988532     -3.231386     -1.176355
  H      -5.295843     -3.644817      0.598440
  H      -4.872014     -1.956483      2.345801
  H      -5.336963      6.307353      5.999504
  H      -4.271461      7.217706      7.088712
  H      -2.968614      8.046535      5.113113
  H      -4.681151      8.499626      5.052789
  H      -3.627697      7.647802      2.840678
  H      -3.503618      6.066029      3.595316
  H      -8.573046      7.195875      4.108836
  H      -8.456156      4.839667      0.178598
  H      -6.627760      3.848368     -1.219952
  H      -4.245516      4.168877     -0.565297
  H      -3.665296      5.477317      1.447710
  H      -5.933678      1.295317      8.159484
  H      -6.275998      1.656195      6.471010
  H      -6.626424      3.586795      8.826064
  H      -6.787888      4.052761      7.127805
  H      -8.450898      1.860928      8.518752
  H      -8.981185      3.540130      8.283950
  H      -8.821015     -0.295417      4.574124
  H     -10.908221      3.221914      2.479341
  H     -11.455762      5.570465      3.129865
  H     -10.828969      6.421219      5.382209
  H      -9.615616      4.984520      6.973231
  N      -5.534532      3.749588      4.779623
  N      -6.555365      3.646392      4.235443
  H      -6.803917      2.363402      3.106815
98
Coordinates from ORCA-job orca E -6258.393054931257
  N      -2.837861      2.707099      4.354464
  Mo     -3.890985      3.683117      5.736629
  N      -4.548863      2.556643      7.217484
  C      -3.625203      2.324284      8.329990
  C      -2.204391      2.250184      7.787522
  N      -1.972062      3.382811      6.848147
  C      -0.931885      3.079403      5.829923
  C      -1.518752      2.200225      4.739459
  C      -1.666084      4.649675      7.571322
  C      -2.100611      5.826940      6.710028
  N      -3.440128      5.541077      6.200300
  H      -0.833696      2.206730      3.870925
  H      -1.567595      1.147274      5.082203
  H      -0.622046      4.038261      5.392409
  H      -0.049417      2.613659      6.301528
  H      -2.107588      6.743830      7.324595
  H      -1.379855      6.005107      5.890023
  H      -2.256929      4.650280      8.497074
  H      -0.596269      4.687746      7.839713
  H      -3.858003      1.372792      8.840018
  H      -3.704836      3.117651      9.099190
  H      -2.089547      1.320278      7.213623
  H      -1.450098      2.256539      8.593007
  C      -3.299669      2.160142      3.080643
  C      -3.691522      0.670226      3.111554
  C      -5.131106      0.398893      3.618735
  C      -6.152016      0.482813      2.531886
  N      -6.934762      1.565984      2.442745
  C      -7.895878      1.715744      1.474991
  N      -8.111695      0.843815      0.536660
  C      -7.344770     -0.293623      0.547965
  C      -7.558510     -1.263648     -0.453857
  C      -6.811893     -2.426067     -0.457457
  C      -5.833883     -2.662704      0.536149
  C      -5.600129     -1.731943      1.527032
  C      -6.344391     -0.525541      1.552153
  C      -4.344450      6.683348      6.118152
  C      -4.005307      7.646839      4.967800
  C      -4.082346      6.982976      3.596555
  C      -5.476054      6.649942      3.126987
  N      -6.502595      7.115836      3.824136
  C      -7.754239      6.821302      3.380398
  N      -8.088079      6.145933      2.301505
  C      -7.048986      5.645748      1.567109
  C      -7.333844      4.884879      0.407425
  C      -6.306035      4.321551     -0.322138
  C      -4.960594      4.505507      0.074185
  C      -4.655693      5.263038      1.189022
  C      -5.689897      5.852474      1.956308
  C      -5.917658      2.086055      7.418041
  C      -6.889163      3.188727      7.854094
  C      -8.362402      2.724451      7.896500
  C      -8.894547      2.337505      6.544318
  N      -8.685143      1.080574      6.154204
  C      -9.098395      0.734794      4.908894
  N      -9.699470      1.495909      4.015416
  C      -9.960989      2.782262      4.401364
  C     -10.624681      3.647962      3.499743
  C     -10.899458      4.948516      3.866313
  C     -10.520391      5.429590      5.140473
  C      -9.861023      4.610285      6.033948
  C      -9.567148      3.266697      5.690365
  H      -2.488593      2.282711      2.337298
  H      -4.142247      2.769157      2.720349
  H      -2.993568      0.127216      3.764663
  H      -3.568571      0.238695      2.106958
  H      -5.185957     -0.610124      4.051226
  H      -5.380228      1.098125      4.428636
  H      -8.478596      2.633131      1.535964
  H      -8.324528     -1.067358     -1.204348
  H      -6.981331     -3.176140     -1.231227
  H      -5.262973     -3.591652      0.518572
  H      -4.845816     -1.925966      2.289115
  H      -5.370443      6.314728      5.978525
  H      -4.323480      7.236741      7.075591
  H      -2.990311      8.048373      5.113436
  H      -4.702893      8.495371      5.017367
  H      -3.609495      7.623918      2.832538
  H      -3.488421      6.052550      3.607945
  H      -8.571662      7.189791      4.007729
  H      -8.382015      4.753424      0.130334
  H      -6.529696      3.727339     -1.209951
  H      -4.159462      4.053962     -0.513233
  H      -3.615085      5.404148      1.482800
  H      -5.929635      1.270934      8.163788
  H      -6.286858      1.644309      6.481413
  H      -6.610853      3.558126      8.853745
  H      -6.784962      4.036982      7.159667
  H      -8.450307      1.847304      8.554725
  H      -8.970779      3.529622      8.328443
  H      -8.898847     -0.302901      4.618969
  H     -10.917472      3.253172      2.525606
  H     -11.407296      5.616019      3.169226
  H     -10.752126      6.459225      5.417348
  H      -9.569474      4.999596      7.009399
  N      -5.565659      3.751298      4.798539
  N      -6.588086      3.638060      4.259333
  H      -6.835539      2.350329      3.133264
98
Coordinates from ORCA-job orca E -6258.393512174118
  N      -2.862221      2.725168      4.356360
  Mo     -3.914018      3.687478      5.748925
  N      -4.554121      2.546426      7.227078
  C      -3.623740      2.309791      8.332657
  C      -2.205323      2.254566      7.782530
  N      -1.989053      3.396713      6.851194
  C      -0.952267      3.110817      5.824257
  C      -1.535835      2.230961      4.732433
  C      -1.692910      4.661074      7.582290
  C      -2.137280      5.841281      6.729668
  N      -3.472145      5.548188      6.213926
  H      -0.855008      2.249321      3.860877
  H      -1.572438      1.176124      5.070903
  H      -0.657411      4.075925      5.389990
  H      -0.060764      2.652722      6.286322
  H      -2.155446      6.752666      7.352491
  H      -1.414045      6.033073      5.914606
  H      -2.281969      4.649430      8.509246
  H      -0.622864      4.707214      7.849100
  H      -3.846124      1.350081      8.832020
  H      -3.707153      3.092777      9.112354
  H      -2.084633      1.330986      7.199555
  H      -1.446312      2.261553      8.583537
  C      -3.322021      2.187692      3.079013
  C      -3.701545      0.693689      3.090547
  C      -5.134692      0.401824      3.605789
  C      -6.162477      0.488166      2.525809
  N      -6.955634      1.565047      2.455202
  C      -7.922888      1.718297      1.493591
  N      -8.135318      0.856485      0.545344
  C      -7.357359     -0.273304      0.537834
  C      -7.566643     -1.231764     -0.476161
  C      -6.808532     -2.386458     -0.499414
  C      -5.822757     -2.626495      0.486045
  C      -5.593382     -1.707268      1.488573
  C      -6.349713     -0.509166      1.533923
  C      -4.374802      6.689693      6.100424
  C      -4.019671      7.641928      4.945255
  C      -4.073017      6.969182      3.576858
  C      -5.457361      6.619942      3.090451
  N      -6.496706      7.092141      3.764224
  C      -7.740484      6.784454      3.307935
  N      -8.055762      6.088025      2.236660
  C      -7.003442      5.583429      1.524593
  C      -7.268699      4.805071      0.372156
  C      -6.228475      4.239168     -0.337533
  C      -4.889173      4.439992      0.071366
  C      -4.603147      5.214273      1.179809
  C      -5.650546      5.805232      1.928115
  C      -5.920468      2.070924      7.434148
  C      -6.888895      3.168080      7.888549
  C      -8.361968      2.703382      7.937928
  C      -8.902868      2.331225      6.584855
  N      -8.710831      1.074152      6.187510
  C      -9.133763      0.739505      4.942269
  N      -9.728047      1.512961      4.055204
  C      -9.970144      2.801395      4.447752
  C     -10.623431      3.680981      3.551762
  C     -10.875924      4.984530      3.923565
  C     -10.483090      5.455325      5.197680
  C      -9.835247      4.621614      6.086465
  C      -9.564903      3.274527      5.737242
  H      -2.512815      2.324385      2.335869
  H      -4.168200      2.794195      2.724634
  H      -2.992221      0.144411      3.725447
  H      -3.586891      0.282578      2.076514
  H      -5.176475     -0.612653      4.027230
  H      -5.386563      1.089611      4.424598
  H      -8.514632      2.628759      1.570253
  H      -8.338313     -1.033101     -1.220211
  H      -6.974603     -3.127709     -1.282436
  H      -5.242239     -3.548925      0.452316
  H      -4.832631     -1.903334      2.243744
  H      -5.397839      6.318537      5.947945
  H      -4.370388      7.254882      7.051278
  H      -3.008332      8.048388      5.103030
  H      -4.720260      8.489037      4.976971
  H      -3.596651      7.610597      2.815494
  H      -3.468518      6.045776      3.602049
  H      -8.567763      7.160999      3.916939
  H      -8.312180      4.664271      0.082678
  H      -6.437725      3.631978     -1.220153
  H      -4.077689      3.986238     -0.499833
  H      -3.566800      5.368182      1.482510
  H      -5.924216      1.248803      8.172280
  H      -6.296139      1.635535      6.496983
  H      -6.602517      3.527132      8.889589
  H      -6.790196      4.023021      7.201057
  H      -8.446780      1.820034      8.587936
  H      -8.966964      3.504384      8.381133
  H      -8.949867     -0.299067      4.645908
  H     -10.926752      3.294132      2.577673
  H     -11.375812      5.662025      3.230326
  H     -10.696103      6.487715      5.478733
  H      -9.535341      5.002871      7.062456
  N      -5.590415      3.753667      4.814251
  N      -6.612114      3.637719      4.273619
  H      -6.854930      2.351329      3.151178
98
Coordinates from ORCA-job orca E -6258.393922609983
  N      -2.881459      2.747886      4.352654
  Mo     -3.932716      3.695285      5.756745
  N      -4.560485      2.541193      7.230333
  C      -3.622947      2.298839      8.328300
  C      -2.207076      2.256936      7.769689
  N      -2.002875      3.408833      6.847739
  C      -0.968132      3.139580      5.814245
  C      -1.548755      2.262235      4.718248
  C      -1.714977      4.668597      7.589469
  C      -2.169936      5.854603      6.750729
  N      -3.502047      5.555563      6.230728
  H      -0.872349      2.293284      3.843554
  H      -1.574879      1.204675      5.049003
  H      -0.684290      4.110458      5.385722
  H      -0.070474      2.686761      6.269370
  H      -2.197391      6.757056      7.386262
  H      -1.447359      6.064752      5.939461
  H      -2.302445      4.642983      8.516939
  H      -0.645095      4.720838      7.854500
  H      -3.836509      1.332378      8.818154
  H      -3.706911      3.072300      9.117254
  H      -2.085256      1.339871      7.176974
  H      -1.443198      2.260758      8.565935
  C      -3.344061      2.217426      3.073147
  C      -3.712866      0.721844      3.073295
  C      -5.139225      0.416855      3.600217
  C      -6.178971      0.501618      2.530576
  N      -6.981989      1.572258      2.473111
  C      -7.962377      1.720498      1.524149
  N      -8.178837      0.860492      0.575051
  C      -7.390388     -0.262120      0.553258
  C      -7.602538     -1.218364     -0.462194
  C      -6.834752     -2.366307     -0.498881
  C      -5.836030     -2.601843      0.474256
  C      -5.603377     -1.684618      1.477798
  C      -6.369246     -0.493113      1.536546
  C      -4.397175      6.699383      6.091525
  C      -4.018992      7.638608      4.934426
  C      -4.055917      6.953646      3.571501
  C      -5.434300      6.606206      3.066751
  N      -6.482719      7.086410      3.720714
  C      -7.720256      6.779516      3.246813
  N      -8.020703      6.076902      2.174805
  C      -6.958583      5.565458      1.481992
  C      -7.206407      4.782411      0.328443
  C      -6.156008      4.212115     -0.362380
  C      -4.823419      4.411507      0.067562
  C      -4.554413      5.188424      1.178056
  C      -5.611921      5.785153      1.906561
  C      -5.923794      2.059538      7.441934
  C      -6.895474      3.148253      7.910992
  C      -8.363765      2.670922      7.962620
  C      -8.905176      2.303291      6.608910
  N      -8.723293      1.045212      6.210495
  C      -9.145916      0.716323      4.963363
  N      -9.731125      1.496724      4.076006
  C      -9.961485      2.786890      4.469842
  C     -10.602647      3.674625      3.573499
  C     -10.839529      4.981003      3.945879
  C     -10.442822      5.446497      5.220697
  C      -9.807607      4.604161      6.110277
  C      -9.554244      3.254155      5.760550
  H      -2.540599      2.365976      2.325772
  H      -4.197226      2.819714      2.728497
  H      -2.992775      0.170763      3.694758
  H      -3.607035      0.322591      2.053293
  H      -5.168770     -0.600272      4.016129
  H      -5.388242      1.098115      4.425583
  H      -8.560637      2.625940      1.612103
  H      -8.384466     -1.023738     -1.196455
  H      -7.003249     -3.105848     -1.282900
  H      -5.248021     -3.519212      0.429973
  H      -4.832591     -1.876782      2.223663
  H      -5.419452      6.331427      5.926952
  H      -4.404838      7.273393      7.037116
  H      -3.007998      8.041055      5.103340
  H      -4.714317      8.490227      4.947594
  H      -3.567020      7.588645      2.812596
  H      -3.454352      6.028523      3.611505
  H      -8.555835      7.162580      3.840558
  H      -8.244670      4.643040      0.021668
  H      -6.352245      3.602376     -1.246021
  H      -4.003615      3.953714     -0.488425
  H      -3.523676      5.340100      1.498291
  H      -5.919077      1.231296      8.173225
  H      -6.303532      1.629920      6.503519
  H      -6.606602      3.499740      8.914052
  H      -6.806423      4.009920      7.230729
  H      -8.438529      1.782578      8.606799
  H      -8.975196      3.464578      8.412150
  H      -8.969647     -0.323344      4.665277
  H     -10.908195      3.292354      2.598298
  H     -11.329389      5.665114      3.251959
  H     -10.643178      6.481737      5.501598
  H      -9.503888      4.980862      7.087148
  N      -5.614205      3.760162      4.830254
  N      -6.639087      3.641007      4.297385
  H      -6.876296      2.356736      3.171490
98
Coordinates from ORCA-job orca E -6258.394288708640
  N      -2.888255      2.739390      4.381915
  Mo     -3.942642      3.691759      5.781536
  N      -4.560369      2.541172      7.260617
  C      -3.624238      2.304512      8.360155
  C      -2.207081      2.275767      7.803205
  N      -2.012624      3.424927      6.876582
  C      -0.978052      3.156784      5.842196
  C      -1.552889      2.264605      4.753200
  C      -1.739073      4.690677      7.612006
  C      -2.197482      5.871451      6.766077
  N      -3.520302      5.560474      6.232185
  H      -0.875170      2.292377      3.879823
  H      -1.574626      1.210355      5.094405
  H      -0.706238      4.126871      5.403792
  H      -0.074088      2.717308      6.297963
  H      -2.240454      6.773971      7.401136
  H      -1.464809      6.087040      5.964872
  H      -2.331014      4.664045      8.537026
  H      -0.670891      4.755654      7.881999
  H      -3.829489      1.332542      8.842822
  H      -3.719603      3.071279      9.154361
  H      -2.076905      1.358542      7.212664
  H      -1.443204      2.290082      8.598974
  C      -3.343932      2.212638      3.100541
  C      -3.718152      0.719536      3.091234
  C      -5.152846      0.422098      3.601278
  C      -6.188038      0.528334      2.526947
  N      -6.987438      1.603148      2.482914
  C      -7.969921      1.764682      1.538050
  N      -8.195549      0.912798      0.582917
  C      -7.410552     -0.211797      0.547152
  C      -7.631493     -1.159497     -0.474578
  C      -6.869387     -2.311099     -0.523756
  C      -5.867777     -2.559139      0.443111
  C      -5.626754     -1.650956      1.452869
  C      -6.385846     -0.455561      1.523638
  C      -4.409703      6.702484      6.043878
  C      -4.016499      7.620332      4.876623
  C      -4.046703      6.928075      3.517528
  C      -5.420142      6.568361      3.010277
  N      -6.475123      7.036278      3.663232
  C      -7.708848      6.713945      3.188945
  N      -7.999711      6.002736      2.118914
  C      -6.930492      5.511621      1.422235
  C      -7.166894      4.733042      0.262623
  C      -6.107775      4.197237     -0.441728
  C      -4.777780      4.424316     -0.017566
  C      -4.521029      5.188727      1.104198
  C      -5.586979      5.752608      1.845527
  C      -5.920490      2.047050      7.469910
  C      -6.904868      3.120226      7.948001
  C      -8.363697      2.616492      7.997584
  C      -8.901909      2.267348      6.638126
  N      -8.713080      1.017826      6.218343
  C      -9.132317      0.708174      4.964889
  N      -9.714828      1.502171      4.088106
  C      -9.948840      2.785170      4.502984
  C     -10.583860      3.688304      3.617569
  C     -10.820514      4.988936      4.010002
  C     -10.427692      5.434569      5.293309
  C      -9.801794      4.575823      6.173708
  C      -9.549553      3.231223      5.803427
  H      -2.537825      2.359299      2.354823
  H      -4.193865      2.816102      2.751268
  H      -3.006932      0.160180      3.715844
  H      -3.607745      0.329700      2.068145
  H      -5.193451     -0.600244      4.005039
  H      -5.404139      1.096585      4.431842
  H      -8.564952      2.672321      1.639297
  H      -8.416241     -0.956377     -1.203403
  H      -7.045497     -3.044136     -1.312144
  H      -5.284989     -3.478805      0.388735
  H      -4.854455     -1.851671      2.194889
  H      -5.429718      6.332333      5.872926
  H      -4.432774      7.299479      6.975332
  H      -3.005198      8.021647      5.046992
  H      -4.707095      8.475980      4.874613
  H      -3.566310      7.571149      2.759605
  H      -3.431078      6.012112      3.557019
  H      -8.549273      7.090941      3.779891
  H      -8.201993      4.576540     -0.043759
  H      -6.295290      3.596405     -1.333305
  H      -3.950660      3.992734     -0.583274
  H      -3.492493      5.355685      1.424393
  H      -5.902903      1.214331      8.196459
  H      -6.296440      1.615228      6.530124
  H      -6.619741      3.467312      8.953558
  H      -6.833055      3.988523      7.273911
  H      -8.422490      1.715222      8.625022
  H      -8.988417      3.392033      8.462410
  H      -8.951726     -0.325186      4.648645
  H     -10.884034      3.321920      2.634737
  H     -11.306113      5.683992      3.324050
  H     -10.623253      6.466704      5.587517
  H      -9.502292      4.936581      7.158083
  N      -5.618618      3.760855      4.849292
  N      -6.642122      3.647482      4.310631
  H      -6.863301      2.385812      3.171965
98
Coordinates from ORCA-job orca E -6258.394839648742
  N      -2.918406      2.766883      4.383046
  Mo     -3.967494      3.703281      5.796783
  N      -4.565556      2.536628      7.271896
  C      -3.623213      2.300262      8.365849
  C      -2.209538      2.288118      7.801254
  N      -2.031201      3.444375      6.880212
  C      -1.002442      3.190072      5.836795
  C      -1.577737      2.299957      4.746103
  C      -1.764444      4.708201      7.621826
  C      -2.231361      5.890625      6.783183
  N      -3.549984      5.574596      6.244138
  H      -0.903911      2.338438      3.869820
  H      -1.589243      1.243360      5.080874
  H      -0.740598      4.164698      5.402299
  H      -0.092131      2.754453      6.283652
  H      -2.282454      6.789103      7.423814
  H      -1.498087      6.116952      5.985287
  H      -2.353800      4.673079      8.548253
  H      -0.696186      4.778516      7.889876
  H      -3.817984      1.322321      8.840984
  H      -3.722377      3.059509      9.166734
  H      -2.073978      1.375531      7.204684
  H      -1.440965      2.305295      8.592564
  C      -3.368936      2.255015      3.094631
  C      -3.732289      0.759305      3.065969
  C      -5.159256      0.442950      3.584922
  C      -6.202914      0.550860      2.520011
  N      -7.009677      1.620119      2.491367
  C      -7.996886      1.786518      1.552261
  N      -8.221436      0.943398      0.589389
  C      -7.429166     -0.175227      0.537512
  C      -7.647641     -1.112281     -0.494565
  C      -6.876595     -2.256868     -0.561094
  C      -5.868163     -2.508427      0.397784
  C      -5.629116     -1.610502      1.416916
  C      -6.398161     -0.422562      1.506238
  C      -4.433570      6.715971      6.021733
  C      -4.020707      7.613573      4.845250
  C      -4.028719      6.897812      3.497659
  C      -5.393296      6.524792      2.976257
  N      -6.459119      6.999705      3.606132
  C      -7.684527      6.661488      3.122264
  N      -7.958094      5.928838      2.062611
  C      -6.877387      5.433580      1.387014
  C      -7.095056      4.637207      0.236110
  C      -6.024069      4.097617     -0.447569
  C      -4.700567      4.339050     -0.010835
  C      -4.461799      5.122403      1.101916
  C      -5.540595      5.689659      1.822614
  C      -5.920802      2.029450      7.482724
  C      -6.907835      3.090829      7.979319
  C      -8.364813      2.581093      8.033447
  C      -8.909950      2.247930      6.672667
  N      -8.738064      0.999070      6.243211
  C      -9.166708      0.703589      4.989320
  N      -9.744207      1.510611      4.121035
  C      -9.958100      2.793822      4.544982
  C     -10.583802      3.711316      3.667679
  C     -10.798163      5.013253      4.068314
  C     -10.393170      5.445307      5.352674
  C      -9.777770      4.571613      6.225931
  C      -9.547195      3.225901      5.846575
  H      -2.563037      2.416441      2.351470
  H      -4.222681      2.857105      2.752003
  H      -3.011307      0.195340      3.674918
  H      -3.627824      0.387068      2.035953
  H      -5.188513     -0.583386      3.978589
  H      -5.410216      1.107027      4.423871
  H      -8.596967      2.688718      1.666176
  H      -8.437179     -0.906497     -1.217448
  H      -7.050237     -2.981607     -1.357775
  H      -5.278163     -3.422819      0.329376
  H      -4.851383     -1.813628      2.152504
  H      -5.451717      6.345007      5.842173
  H      -4.469871      7.328508      6.942896
  H      -3.012304      8.018039      5.024723
  H      -4.710920      8.469376      4.816773
  H      -3.539707      7.529413      2.735496
  H      -3.409907      5.985234      3.561891
  H      -8.534369      7.045399      3.694654
  H      -8.125842      4.470501     -0.080959
  H      -6.197160      3.483449     -1.333025
  H      -3.863976      3.905654     -0.561159
  H      -3.437688      5.301829      1.430772
  H      -5.893073      1.188774      8.199696
  H      -6.297942      1.604794      6.540214
  H      -6.616977      3.427859      8.986679
  H      -6.844594      3.967136      7.314904
  H      -8.417053      1.671955      8.649874
  H      -8.988801      3.348300      8.512260
  H      -9.001384     -0.329806      4.665284
  H     -10.894693      3.355498      2.684280
  H     -11.276265      5.719646      3.388241
  H     -10.571054      6.478811      5.653757
  H      -9.469473      4.922390      7.211260
  N      -5.649121      3.768484      4.875279
  N      -6.672204      3.651578      4.337630
  H      -6.889765      2.394991      3.190112
98
Coordinates from ORCA-job orca E -6258.395462450355
  N      -2.955637      2.800163      4.398860
  Mo     -3.996905      3.716642      5.830178
  N      -4.573958      2.535975      7.303660
  C      -3.626896      2.306767      8.394837
  C      -2.217252      2.307927      7.822496
  N      -2.055183      3.466768      6.901345
  C      -1.033623      3.220987      5.849358
  C      -1.612557      2.334797      4.757598
  C      -1.792839      4.731017      7.644257
  C      -2.264306      5.911520      6.807141
  N      -3.578246      5.593231      6.259364
  H      -0.940392      2.381059      3.879600
  H      -1.618105      1.275904      5.085329
  H      -0.777155      4.198287      5.417440
  H      -0.119004      2.786644      6.288669
  H      -2.321238      6.809630      7.448326
  H      -1.529629      6.143217      6.011714
  H      -2.380478      4.692695      8.571503
  H      -0.724626      4.804749      7.910964
  H      -3.811279      1.325398      8.867545
  H      -3.730266      3.063322      9.197473
  H      -2.076700      1.396387      7.225292
  H      -1.443709      2.332186      8.609208
  C      -3.391030      2.316322      3.095493
  C      -3.736931      0.816344      3.033275
  C      -5.152199      0.467839      3.560000
  C      -6.204018      0.576535      2.506275
  N      -7.017492      1.639012      2.495613
  C      -8.008960      1.810956      1.563256
  N      -8.232770      0.979382      0.590624
  C      -7.433597     -0.132546      0.520177
  C      -7.649761     -1.056361     -0.524350
  C      -6.868579     -2.192092     -0.611908
  C      -5.851817     -2.448192      0.337121
  C      -5.614777     -1.563055      1.367445
  C      -6.395584     -0.384386      1.479836
  C      -4.442600      6.738751      5.979650
  C      -3.995669      7.589092      4.779948
  C      -3.993429      6.825548      3.457421
  C      -5.356152      6.451770      2.931313
  N      -6.422683      6.935825      3.552292
  C      -7.646348      6.586557      3.074142
  N      -7.918850      5.839026      2.026018
  C      -6.837740      5.342175      1.352918
  C      -7.055705      4.538818      0.207764
  C      -5.984063      3.996414     -0.473366
  C      -4.659851      4.242618     -0.040045
  C      -4.420172      5.036810      1.065300
  C      -5.501015      5.604655      1.785119
  C      -5.922276      2.006652      7.506349
  C      -6.918024      3.049728      8.021092
  C      -8.373945      2.533566      8.070772
  C      -8.922159      2.228505      6.703833
  N      -8.766869      0.983368      6.255835
  C      -9.204549      0.710345      4.999908
  N      -9.779967      1.535243      4.146959
  C      -9.973881      2.815266      4.588340
  C     -10.591491      3.751761      3.725290
  C     -10.785307      5.051428      4.143276
  C     -10.371016      5.460783      5.432321
  C      -9.764462      4.567534      6.292314
  C      -9.551370      3.224904      5.893909
  H      -2.583364      2.503715      2.360085
  H      -4.250813      2.916772      2.763716
  H      -3.005105      0.247918      3.624427
  H      -3.633142      0.468167      1.995245
  H      -5.163984     -0.563724      3.938003
  H      -5.404972      1.115729      4.410421
  H      -8.612087      2.707684      1.689623
  H      -8.444673     -0.846656     -1.240140
  H      -7.039187     -2.906352     -1.419029
  H      -5.253259     -3.356198      0.251783
  H      -4.830385     -1.769569      2.094731
  H      -5.462398      6.375313      5.797207
  H      -4.486080      7.381568      6.879946
  H      -2.984180      7.984354      4.961677
  H      -4.672135      8.454009      4.708810
  H      -3.486946      7.423973      2.680067
  H      -3.387019      5.907684      3.559739
  H      -8.497169      6.971460      3.643764
  H      -8.088228      4.368073     -0.105751
  H      -6.156896      3.376252     -1.354844
  H      -3.823460      3.810116     -0.591625
  H      -3.395083      5.225184      1.387973
  H      -5.883318      1.155366      8.209530
  H      -6.294391      1.594028      6.557323
  H      -6.626425      3.373605      9.032661
  H      -6.860540      3.936516      7.370854
  H      -8.423620      1.611932      8.668490
  H      -8.996728      3.288514      8.568216
  H      -9.053916     -0.321166      4.662340
  H     -10.912702      3.413529      2.739022
  H     -11.257404      5.773262      3.474510
  H     -10.533946      6.492699      5.747841
  H      -9.448271      4.901258      7.280886
  N      -5.683750      3.777363      4.920284
  N      -6.705991      3.660322      4.381415
  H      -6.916121      2.413740      3.220758
98
Coordinates from ORCA-job orca E -6258.396132535927
  N      -2.986106      2.819006      4.414071
  Mo     -4.022718      3.720706      5.858195
  N      -4.578143      2.530497      7.332126
  C      -3.625913      2.309565      8.419933
  C      -2.219552      2.325352      7.839640
  N      -2.075396      3.486280      6.918022
  C      -1.059262      3.251191      5.858275
  C      -1.637744      2.362774      4.767360
  C      -1.822710      4.752103      7.661309
  C      -2.303638      5.930410      6.826933
  N      -3.611959      5.603297      6.271252
  H      -0.968739      2.416550      3.887208
  H      -1.633241      1.302978      5.092187
  H      -0.813876      4.231460      5.426586
  H      -0.138012      2.824139      6.290847
  H      -2.371507      6.825458      7.471692
  H      -1.567625      6.173392      6.035773
  H      -2.408759      4.707910      8.589307
  H      -0.754930      4.834704      7.926873
  H      -3.798615      1.324948      8.890373
  H      -3.734073      3.062867      9.224700
  H      -2.072921      1.415400      7.241606
  H      -1.441525      2.358149      8.621659
  C      -3.412649      2.351618      3.102880
  C      -3.750896      0.851254      3.023418
  C      -5.161768      0.490605      3.552296
  C      -6.218633      0.606972      2.504711
  N      -7.033537      1.667949      2.506535
  C      -8.026815      1.847897      1.578047
  N      -8.252539      1.025268      0.597943
  C      -7.452416     -0.084608      0.514858
  C      -7.670117     -0.998812     -0.537972
  C      -6.886829     -2.131793     -0.639041
  C      -5.866128     -2.394855      0.303918
  C      -5.627388     -1.519241      1.341761
  C      -6.410999     -0.343767      1.468873
  C      -4.458801      6.749777      5.941160
  C      -3.984571      7.567679      4.729621
  C      -3.970080      6.777412      3.422286
  C      -5.328549      6.402993      2.884416
  N      -6.400605      6.888605      3.494490
  C      -7.619990      6.528631      3.013626
  N      -7.883764      5.770000      1.971394
  C      -6.796945      5.278178      1.303906
  C      -7.005412      4.469271      0.160847
  C      -5.927413      3.933087     -0.515184
  C      -4.606347      4.191532     -0.079123
  C      -4.376066      4.991393      1.024129
  C      -5.463547      5.551525      1.739965
  C      -5.920169      1.983471      7.530905
  C      -6.924583      3.011597      8.058592
  C      -8.376559      2.484254      8.103693
  C      -8.924176      2.195018      6.733232
  N      -8.776119      0.954194      6.270898
  C      -9.214801      0.699190      5.011223
  N      -9.783666      1.538016      4.167418
  C      -9.965799      2.814756      4.622010
  C     -10.570506      3.767319      3.767212
  C     -10.748930      5.065065      4.197957
  C     -10.333465      5.456180      5.492221
  C      -9.740508      4.546629      6.344701
  C      -9.542136      3.205916      5.932638
  H      -2.604764      2.551468      2.370946
  H      -4.276038      2.949989      2.776408
  H      -3.013759      0.278275      3.603600
  H      -3.650701      0.517818      1.980150
  H      -5.167270     -0.544878      3.918905
  H      -5.413246      1.128753      4.410464
  H      -8.630762      2.742459      1.714805
  H      -8.467734     -0.783785     -1.249207
  H      -7.058288     -2.838411     -1.452691
  H      -5.265757     -3.300730      0.207621
  H      -4.839989     -1.730896      2.064329
  H      -5.478502      6.391545      5.751791
  H      -4.511421      7.415341      6.824529
  H      -2.972318      7.957946      4.917560
  H      -4.651062      8.437475      4.628243
  H      -3.450153      7.359031      2.640917
  H      -3.369808      5.858082      3.547722
  H      -8.475618      6.913152      3.576089
  H      -8.035980      4.289422     -0.154941
  H      -6.092601      3.308908     -1.395252
  H      -3.764947      3.765656     -0.628315
  H      -3.353507      5.190732      1.348200
  H      -5.870033      1.125520      8.225155
  H      -6.288871      1.576476      6.577975
  H      -6.633606      3.326405      9.073233
  H      -6.875919      3.906351      7.418719
  H      -8.419964      1.554344      8.688769
  H      -9.003771      3.228118      8.612150
  H      -9.070411     -0.328997      4.661615
  H     -10.893376      3.443594      2.776679
  H     -11.210436      5.799400      3.535246
  H     -10.484261      6.486860      5.817815
  H      -9.422501      4.865903      7.337448
  N      -5.711875      3.778500      4.954820
  N      -6.734197      3.665971      4.414723
  H      -6.930150      2.433506      3.239033
98
Coordinates from ORCA-job orca E -6258.396509666608
  N      -2.991611      2.799513      4.452328
  Mo     -4.031472      3.691983      5.902487
  N      -4.571439      2.513301      7.386111
  C      -3.622761      2.320094      8.481855
  C      -2.214394      2.335188      7.898486
  N      -2.083181      3.483814      6.959681
  C      -1.065745      3.246723      5.901019
  C      -1.640934      2.348969      4.814231
  C      -1.843382      4.760133      7.687623
  C      -2.327427      5.925837      6.839790
  N      -3.631065      5.585736      6.272908
  H      -0.968085      2.398083      3.937112
  H      -1.632439      1.291112      5.143998
  H      -0.824684      4.224771      5.462506
  H      -0.142740      2.828884      6.338541
  H      -2.403791      6.825154      7.477086
  H      -1.591250      6.172016      6.049735
  H      -2.434008      4.722095      8.612754
  H      -0.777785      4.854435      7.957905
  H      -3.789636      1.343755      8.969961
  H      -3.736720      3.088001      9.270230
  H      -2.060606      1.416337      7.317175
  H      -1.436696      2.388662      8.679685
  C      -3.396400      2.336484      3.133906
  C      -3.745561      0.839624      3.071784
  C      -5.165547      0.514116      3.595281
  C      -6.215405      0.639888      2.539766
  N      -7.004036      1.720073      2.514954
  C      -7.987143      1.901971      1.577689
  N      -8.228857      1.064833      0.611640
  C      -7.456437     -0.065050      0.557428
  C      -7.692783     -0.998497     -0.475151
  C      -6.937107     -2.151751     -0.546674
  C      -5.925753     -2.417466      0.406007
  C      -5.669518     -1.523887      1.424277
  C      -6.424790     -0.327772      1.521986
  C      -4.440833      6.745082      5.894248
  C      -3.948460      7.530997      4.671239
  C      -3.964377      6.731221      3.368181
  C      -5.336430      6.404401      2.824910
  N      -6.399293      6.869974      3.465190
  C      -7.626319      6.524735      2.990297
  N      -7.905303      5.802851      1.925150
  C      -6.828319      5.347307      1.215628
  C      -7.050124      4.582627      0.043503
  C      -5.979401      4.084238     -0.670580
  C      -4.653737      4.338643     -0.248630
  C      -4.411936      5.093432      0.882475
  C      -5.489457      5.609692      1.641039
  C      -5.905214      1.936939      7.552728
  C      -6.937348      2.941345      8.078654
  C      -8.380662      2.391332      8.081717
  C      -8.909079      2.122804      6.700879
  N      -8.744734      0.895540      6.207751
  C      -9.167773      0.673307      4.936610
  N      -9.731714      1.531834      4.108856
  C      -9.923613      2.795703      4.592935
  C     -10.515296      3.772481      3.755589
  C     -10.696614      5.059046      4.217870
  C     -10.302580      5.415238      5.527526
  C      -9.722873      4.482833      6.363456
  C      -9.518847      3.152437      5.918159
  H      -2.584486      2.528354      2.406595
  H      -4.261497      2.928526      2.800237
  H      -3.018726      0.266674      3.665873
  H      -3.643218      0.487530      2.033433
  H      -5.191769     -0.516027      3.975404
  H      -5.404290      1.170518      4.443772
  H      -8.573424      2.813174      1.691658
  H      -8.483150     -0.780214     -1.193872
  H      -7.123264     -2.872168     -1.344395
  H      -5.346888     -3.339188      0.333887
  H      -4.889820     -1.738539      2.154880
  H      -5.467038      6.409668      5.712236
  H      -4.476103      7.429334      6.763688
  H      -2.924457      7.894449      4.849408
  H      -4.588305      8.418958      4.560270
  H      -3.422020      7.294302      2.588426
  H      -3.399153      5.788667      3.487334
  H      -8.475394      6.882255      3.581054
  H      -8.083497      4.403644     -0.259472
  H      -6.152666      3.492236     -1.570713
  H      -3.818162      3.947591     -0.831628
  H      -3.388891      5.292636      1.196640
  H      -5.849310      1.070255      8.235207
  H      -6.251398      1.540367      6.586807
  H      -6.672120      3.242459      9.104648
  H      -6.892915      3.850285      7.458932
  H      -8.417113      1.447566      8.644783
  H      -9.026689      3.114068      8.598164
  H      -9.008039     -0.343195      4.561832
  H     -10.823099      3.477151      2.751768
  H     -11.146699      5.811402      3.568778
  H     -10.458388      6.436514      5.877929
  H      -9.416108      4.770851      7.368756
  N      -5.708982      3.760791      4.984585
  N      -6.727434      3.692286      4.423935
  H      -6.878743      2.472232      3.241321
98
Coordinates from ORCA-job orca E -6258.396817106921
  N      -3.025872      2.835200      4.450071
  Mo     -4.054215      3.722214      5.912101
  N      -4.577400      2.532874      7.393708
  C      -3.621991      2.333357      8.480746
  C      -2.218290      2.357523      7.886971
  N      -2.098174      3.512111      6.954830
  C      -1.089572      3.282214      5.885088
  C      -1.671348      2.386923      4.798511
  C      -1.858818      4.784710      7.689194
  C      -2.352523      5.956872      6.854488
  N      -3.655371      5.614979      6.288689
  H      -1.005975      2.440078      3.916782
  H      -1.660294      1.328504      5.126930
  H      -0.856078      4.263452      5.449337
  H      -0.160941      2.864431      6.310779
  H      -2.435069      6.847870      7.503237
  H      -1.616132      6.215802      6.068526
  H      -2.443912      4.736954      8.617862
  H      -0.792096      4.883089      7.954298
  H      -3.782903      1.351881      8.960619
  H      -3.732895      3.092885      9.278290
  H      -2.067014      1.444320      7.296069
  H      -1.434121      2.407718      8.661331
  C      -3.444982      2.389820      3.130248
  C      -3.784360      0.892874      3.037475
  C      -5.196623      0.541760      3.570802
  C      -6.264907      0.680219      2.532914
  N      -7.074943      1.746142      2.551727
  C      -8.080407      1.936459      1.638066
  N      -8.324764      1.119433      0.655546
  C      -7.532118      0.005844      0.556734
  C      -7.772019     -0.905424     -0.494858
  C      -6.998859     -2.043959     -0.609598
  C      -5.965954     -2.316487      0.317702
  C      -5.706010     -1.445058      1.354125
  C      -6.477877     -0.264087      1.494646
  C      -4.453263      6.771110      5.879106
  C      -3.943599      7.533080      4.649416
  C      -3.931176      6.709773      3.362894
  C      -5.287385      6.353050      2.802833
  N      -6.369614      6.820532      3.409515
  C      -7.583058      6.446373      2.920192
  N      -7.830184      5.689671      1.869844
  C      -6.731800      5.230486      1.195476
  C      -6.917501      4.430384      0.040206
  C      -5.825554      3.930822     -0.639874
  C      -4.513317      4.218242     -0.198654
  C      -4.306866      5.002846      0.918815
  C      -5.406049      5.524916      1.640024
  C      -5.906517      1.948012      7.569995
  C      -6.944064      2.938978      8.112241
  C      -8.376512      2.365528      8.121998
  C      -8.899251      2.088011      6.741958
  N      -8.721655      0.862138      6.253321
  C      -9.138262      0.632690      4.980915
  N      -9.701198      1.484882      4.146770
  C      -9.904835      2.748902      4.626305
  C     -10.494865      3.719868      3.781748
  C     -10.684346      5.007438      4.237757
  C     -10.295114      5.371924      5.547236
  C      -9.718750      4.444360      6.390719
  C      -9.510287      3.112296      5.952509
  H      -2.640717      2.597804      2.398313
  H      -4.313719      2.983889      2.811993
  H      -3.043102      0.310664      3.604201
  H      -3.698358      0.571256      1.987779
  H      -5.205858     -0.499062      3.925618
  H      -5.432269      1.174887      4.438745
  H      -8.682922      2.833248      1.790477
  H      -8.579623     -0.683527     -1.192892
  H      -7.188671     -2.747658     -1.420889
  H      -5.373961     -3.225671      0.210898
  H      -4.909667     -1.663902      2.065328
  H      -5.478361      6.435089      5.687384
  H      -4.499174      7.474107      6.733267
  H      -2.924587      7.906193      4.836461
  H      -4.585101      8.415354      4.510747
  H      -3.381619      7.263015      2.580993
  H      -3.355269      5.778694      3.514632
  H      -8.447723      6.814549      3.481279
  H      -7.939988      4.228941     -0.281175
  H      -5.972298      3.314212     -1.528072
  H      -3.659985      3.822835     -0.751828
  H      -3.292905      5.222559      1.251011
  H      -5.835865      1.077105      8.247040
  H      -6.257895      1.550006      6.605032
  H      -6.674186      3.236445      9.137715
  H      -6.918454      3.851530      7.495759
  H      -8.394408      1.421081      8.684736
  H      -9.037276      3.077331      8.637303
  H      -8.967711     -0.381709      4.606823
  H     -10.794664      3.418767      2.777105
  H     -11.132930      5.754811      3.582001
  H     -10.453687      6.394948      5.891296
  H      -9.418661      4.738868      7.396627
  N      -5.738751      3.807632      5.007914
  N      -6.761855      3.747970      4.456086
  H      -6.932710      2.536541      3.276685
98
Coordinates from ORCA-job orca E -6258.394821089930
  N      -2.994559      2.859366      4.460271
  Mo     -4.044836      3.747539      5.901994
  N      -4.593840      2.568938      7.390019
  C      -3.652595      2.372015      8.489701
  C      -2.244497      2.383209      7.916343
  N      -2.103296      3.529457      6.977554
  C      -1.080935      3.279046      5.926864
  C      -1.656746      2.389732      4.836837
  C      -1.859283      4.805503      7.705390
  C      -2.332810      5.969627      6.851075
  N      -3.632487      5.640940      6.270895
  H      -0.974785      2.429643      3.966146
  H      -1.670428      1.332852      5.170193
  H      -0.822259      4.254467      5.490889
  H      -0.166864      2.846640      6.369447
  H      -2.412105      6.872912      7.483767
  H      -1.585744      6.204992      6.067872
  H      -2.456078      4.770811      8.627018
  H      -0.794709      4.894071      7.983027
  H      -3.827256      1.396324      8.978381
  H      -3.765669      3.142184      9.278411
  H      -2.092977      1.464016      7.333074
  H      -1.469048      2.432160      8.700242
  C      -3.388831      2.442854      3.122100
  C      -3.702333      0.938955      2.963500
  C      -5.101288      0.529907      3.489304
  C      -6.168310      0.678217      2.461024
  N      -6.978496      1.737958      2.518144
  C      -8.000971      1.943124      1.628372
  N      -8.255524      1.151351      0.631146
  C      -7.457678      0.045339      0.489891
  C      -7.708974     -0.837594     -0.582679
  C      -6.931737     -1.967587     -0.740482
  C      -5.883899     -2.260109      0.164291
  C      -5.614395     -1.416949      1.221262
  C      -6.389054     -0.243180      1.403976
  C      -4.424216      6.791339      5.833842
  C      -3.881880      7.495081      4.581132
  C      -3.878796      6.609766      3.337696
  C      -5.240925      6.266390      2.799237
  N      -6.300445      6.777993      3.409092
  C      -7.528307      6.425462      2.947254
  N      -7.810248      5.652394      1.920752
  C      -6.735237      5.146704      1.243672
  C      -6.967029      4.333839      0.109706
  C      -5.903526      3.788414     -0.582029
  C      -4.573111      4.040416     -0.170178
  C      -4.318797      4.838804      0.929751
  C      -5.394246      5.409439      1.660978
  C      -5.923960      1.981679      7.563290
  C      -6.958160      2.961087      8.128474
  C      -8.395022      2.392146      8.162446
  C      -8.949981      2.146100      6.785047
  N      -8.796530      0.917348      6.295019
  C      -9.263318      0.676713      5.043235
  N      -9.863696      1.521441      4.229375
  C     -10.050200      2.788974      4.709574
  C     -10.681962      3.746454      3.881190
  C     -10.868510      5.033861      4.337974
  C     -10.431316      5.409758      5.631534
  C      -9.812330      4.493827      6.458473
  C      -9.602729      3.163999      6.018876
  H      -2.571857      2.688981      2.414640
  H      -4.254255      3.045992      2.810376
  H      -2.956302      0.354619      3.518539
  H      -3.596459      0.651677      1.907665
  H      -5.091559     -0.521050      3.811333
  H      -5.346222      1.130338      4.376608
  H      -8.597227      2.834343      1.806938
  H      -8.527207     -0.600585     -1.262258
  H      -7.129366     -2.650530     -1.568595
  H      -5.288613     -3.162631      0.023234
  H      -4.806651     -1.650969      1.913153
  H      -5.452712      6.457585      5.641568
  H      -4.472257      7.521583      6.664647
  H      -2.855801      7.850272      4.763019
  H      -4.502412      8.385274      4.399883
  H      -3.306280      7.095700      2.529127
  H      -3.338590      5.669582      3.550651
  H      -8.373098      6.821583      3.518059
  H      -8.004356      4.161623     -0.187114
  H      -6.087432      3.162600     -1.457630
  H      -3.745152      3.607596     -0.733404
  H      -3.287202      5.035577      1.235032
  H      -5.846846      1.103047      8.228820
  H      -6.282884      1.597764      6.597774
  H      -6.672781      3.249232      9.151993
  H      -6.933013      3.877063      7.518322
  H      -8.410004      1.437756      8.709346
  H      -9.037910      3.097046      8.704670
  H      -9.116464     -0.344558      4.672677
  H     -11.021804      3.435064      2.892148
  H     -11.355059      5.772602      3.697743
  H     -10.587914      6.433555      5.976058
  H      -9.479533      4.800768      7.449943
  N      -5.731292      3.811307      4.994405
  N      -6.752152      3.717778      4.445542
  H      -6.966344      2.462872      3.318055
98
Coordinates from ORCA-job orca E -6258.395981182735
  N      -3.001893      2.829289      4.449040
  Mo     -4.058005      3.700330      5.897399
  N      -4.584198      2.509853      7.379785
  C      -3.634721      2.314211      8.473302
  C      -2.227923      2.349872      7.892708
  N      -2.109494      3.506762      6.962986
  C      -1.087311      3.284417      5.905765
  C      -1.651362      2.386502      4.815296
  C      -1.887240      4.781647      7.699326
  C      -2.382926      5.945735      6.856700
  N      -3.678236      5.599123      6.274982
  H      -0.975347      2.441833      3.940899
  H      -1.640553      1.328595      5.145371
  H      -0.852328      4.267062      5.473360
  H      -0.162119      2.869650      6.341877
  H      -2.477687      6.839848      7.499680
  H      -1.642405      6.205298      6.075187
  H      -2.480321      4.729919      8.622453
  H      -0.823949      4.887106      7.975170
  H      -3.795361      1.333127      8.954856
  H      -3.753472      3.076105      9.268120
  H      -2.064431      1.437812      7.302306
  H      -1.450382      2.405053      8.674143
  C      -3.401671      2.390603      3.120146
  C      -3.740169      0.890331      3.010735
  C      -5.156191      0.531747      3.529902
  C      -6.203935      0.640223      2.472970
  N      -7.025489      1.695005      2.462998
  C      -8.018282      1.856358      1.530938
  N      -8.236862      1.023256      0.558255
  C      -7.429510     -0.081508      0.488681
  C      -7.641004     -1.009551     -0.554057
  C      -6.851751     -2.138833     -0.640690
  C      -5.830349     -2.385099      0.306816
  C      -5.598650     -1.496306      1.335116
  C      -6.387863     -0.323587      1.446813
  C      -4.481912      6.750178      5.858878
  C      -3.953979      7.507616      4.631067
  C      -3.939752      6.678893      3.348586
  C      -5.298245      6.347933      2.786369
  N      -6.367695      6.835967      3.398303
  C      -7.588826      6.493171      2.909992
  N      -7.855539      5.749952      1.857386
  C      -6.769983      5.271750      1.176559
  C      -6.982646      4.491514      0.015462
  C      -5.906987      3.975653     -0.679732
  C      -4.583829      4.226480     -0.245850
  C      -4.349094      4.993026      0.879873
  C      -5.435427      5.530961      1.616509
  C      -5.914487      1.925998      7.554584
  C      -6.935487      2.910131      8.135531
  C      -8.380518      2.362385      8.160802
  C      -8.947107      2.146226      6.783988
  N      -8.839342      0.919889      6.274149
  C      -9.315729      0.719419      5.018647
  N      -9.882181      1.601059      4.218714
  C     -10.014152      2.867809      4.717334
  C     -10.601300      3.867027      3.904337
  C     -10.724557      5.155691      4.378955
  C     -10.270623      5.491726      5.676550
  C      -9.697286      4.535181      6.489743
  C      -9.552099      3.202335      6.031392
  H      -2.583625      2.607170      2.405439
  H      -4.263135      2.991431      2.793537
  H      -3.008225      0.309927      3.589418
  H      -3.633072      0.567359      1.964620
  H      -5.166436     -0.502545      3.900473
  H      -5.408298      1.176031      4.383964
  H      -8.627020      2.749308      1.654024
  H      -8.439414     -0.806774     -1.267905
  H      -7.019088     -2.856274     -1.445722
  H      -5.224358     -3.287922      0.222082
  H      -4.810765     -1.695181      2.060655
  H      -5.505168      6.410174      5.656650
  H      -4.538606      7.455044      6.710713
  H      -2.933740      7.872705      4.826375
  H      -4.587796      8.395276      4.485755
  H      -3.371233      7.210997      2.566484
  H      -3.388354      5.735513      3.514930
  H      -8.443176      6.873538      3.477651
  H      -8.014516      4.319895     -0.298890
  H      -6.075042      3.374917     -1.575574
  H      -3.745080      3.818594     -0.812173
  H      -3.324525      5.188046      1.203185
  H      -5.841451      1.040118      8.210852
  H      -6.279905      1.555073      6.586288
  H      -6.645351      3.177543      9.163628
  H      -6.901240      3.837390      7.542861
  H      -8.407769      1.400367      8.693156
  H      -9.010188      3.069317      8.716659
  H      -9.209375     -0.300303      4.631669
  H     -10.956542      3.586797      2.911568
  H     -11.174546      5.925899      3.749782
  H     -10.377828      6.516511      6.035779
  H      -9.349701      4.809832      7.485597
  N      -5.737490      3.738000      4.978745
  N      -6.750499      3.640113      4.416224
  H      -6.870050      2.394962      3.257681
98
Coordinates from ORCA-job orca E -6258.384390639998
  N      -3.041034      2.797374      4.447684
  Mo     -4.075017      3.670162      5.913941
  N      -4.572689      2.478905      7.394471
  C      -3.612644      2.286075      8.480322
  C      -2.209538      2.320293      7.878983
  N      -2.109725      3.478880      6.949547
  C      -1.101237      3.265952      5.876546
  C      -1.679744      2.362726      4.793942
  C      -1.882193      4.751599      7.687651
  C      -2.387774      5.917312      6.856055
  N      -3.691681      5.567284      6.290913
  H      -1.016837      2.415993      3.909866
  H      -1.656178      1.305579      5.125226
  H      -0.876471      4.249583      5.443098
  H      -0.168894      2.855262      6.300744
  H      -2.472385      6.809289      7.501965
  H      -1.663065      6.183394      6.062731
  H      -2.462765      4.697378      8.618312
  H      -0.816148      4.857910      7.950462
  H      -3.768110      1.307480      8.965434
  H      -3.723230      3.049214      9.272117
  H      -2.050671      1.408261      7.289505
  H      -1.423013      2.378123      8.651165
  C      -3.453287      2.335629      3.134644
  C      -3.775169      0.832590      3.097428
  C      -5.163838      0.507567      3.699875
  C      -6.262615      0.631124      2.695177
  N      -7.041491      1.719505      2.701925
  C      -8.045187      1.924747      1.789193
  N      -8.328394      1.090243      0.830626
  C      -7.579586     -0.054349      0.756014
  C      -7.862369     -0.982921     -0.269883
  C      -7.123988     -2.144879     -0.367672
  C      -6.082657     -2.424040      0.548613
  C      -5.780001     -1.535092      1.558481
  C      -6.518595     -0.332568      1.684685
  C      -4.483325      6.737778      5.906463
  C      -3.987438      7.535810      4.693439
  C      -3.997234      6.764199      3.371903
  C      -5.357377      6.458564      2.774491
  N      -6.451041      6.897662      3.380882
  C      -7.654405      6.570540      2.832149
  N      -7.881139      5.897397      1.721626
  C      -6.768340      5.474795      1.043960
  C      -6.921627      4.772477     -0.179867
  C      -5.811350      4.310996     -0.856674
  C      -4.513858      4.540061     -0.347877
  C      -4.339930      5.235155      0.830563
  C      -5.455290      5.715515      1.551220
  C      -5.896845      1.889782      7.553952
  C      -6.934187      2.875327      8.101526
  C      -8.361497      2.294991      8.069251
  C      -8.842042      2.016520      6.677122
  N      -8.654699      0.786370      6.197827
  C      -9.030031      0.557918      4.914506
  N      -9.568729      1.411633      4.063019
  C      -9.778895      2.678158      4.533493
  C     -10.339814      3.655144      3.674417
  C     -10.528404      4.945472      4.123220
  C     -10.174767      5.308071      5.441142
  C      -9.632869      4.376188      6.300922
  C      -9.421583      3.041082      5.869147
  H      -2.662380      2.544078      2.391727
  H      -4.340915      2.902249      2.817887
  H      -3.008697      0.271668      3.653700
  H      -3.721839      0.475400      2.055976
  H      -5.172981     -0.517067      4.093730
  H      -5.354777      1.176419      4.551772
  H      -8.599180      2.860894      1.898513
  H      -8.672980     -0.751298     -0.962205
  H      -7.346693     -2.860616     -1.159677
  H      -5.516160     -3.351885      0.455630
  H      -4.976499     -1.760225      2.260581
  H      -5.510054      6.413111      5.718595
  H      -4.511071      7.417923      6.779037
  H      -2.962336      7.890901      4.882526
  H      -4.619680      8.430818      4.594540
  H      -3.427589      7.335767      2.618440
  H      -3.448511      5.810065      3.480666
  H      -8.533800      6.904913      3.393283
  H      -7.932179      4.613975     -0.555990
  H      -5.930262      3.769170     -1.796082
  H      -3.644359      4.177712     -0.899648
  H      -3.341304      5.415502      1.212952
  H      -5.835473      1.005240      8.213081
  H      -6.241555      1.517102      6.578195
  H      -6.683567      3.161535      9.135848
  H      -6.899419      3.797396      7.500206
  H      -8.379335      1.344125      8.620300
  H      -9.039183      2.995346      8.577167
  H      -8.850232     -0.459910      4.555205
  H     -10.618126      3.357239      2.663023
  H     -10.954906      5.695928      3.457038
  H     -10.334433      6.332108      5.780016
  H      -9.359479      4.664323      7.315813
  N      -5.754727      3.779440      5.001606
  N      -6.764198      3.783586      4.415670
  H      -6.940968      2.606487      3.182914
98
Coordinates from ORCA-job orca E -6258.396327122467
  N      -3.009937      2.811474      4.435800
  Mo     -4.071221      3.685262      5.881833
  N      -4.597899      2.491114      7.358359
  C      -3.651355      2.290499      8.452520
  C      -2.241683      2.327712      7.873272
  N      -2.123854      3.489310      6.949750
  C      -1.097561      3.275263      5.893670
  C      -1.657255      2.374293      4.801569
  C      -1.908781      4.760180      7.693087
  C      -2.401851      5.930831      6.857200
  N      -3.694508      5.582343      6.269514
  H      -0.981592      2.427779      3.927955
  H      -1.644598      1.317763      5.135242
  H      -0.866691      4.259733      5.463942
  H      -0.171472      2.863656      6.330766
  H      -2.501774      6.817795      7.508866
  H      -1.657591      6.200428      6.082290
  H      -2.506592      4.700671      8.612979
  H      -0.847367      4.868961      7.974649
  H      -3.813953      1.308285      8.929824
  H      -3.771131      3.048571      9.250247
  H      -2.076862      1.419408      7.278585
  H      -1.465991      2.380226      8.655833
  C      -3.410643      2.355829      3.114849
  C      -3.727179      0.854514      3.035634
  C      -5.137866      0.506294      3.574182
  C      -6.195206      0.611851      2.521633
  N      -6.993534      1.687100      2.483906
  C      -7.965808      1.856669      1.528584
  N      -8.194459      1.006509      0.570473
  C      -7.418905     -0.122415      0.538834
  C      -7.642078     -1.069431     -0.484581
  C      -6.878887     -2.219250     -0.537671
  C      -5.871587     -2.466533      0.424203
  C      -5.628240     -1.559435      1.433968
  C      -6.392379     -0.367908      1.512858
  C      -4.488605      6.741722      5.859009
  C      -3.975025      7.524067      4.641776
  C      -3.961608      6.728380      3.338858
  C      -5.318052      6.396112      2.766075
  N      -6.398750      6.843313      3.390769
  C      -7.614153      6.481097      2.897292
  N      -7.864580      5.747866      1.831417
  C      -6.768278      5.314562      1.136756
  C      -6.961025      4.544706     -0.036767
  C      -5.873225      4.078904     -0.746320
  C      -4.558093      4.371081     -0.316054
  C      -4.344273      5.123464      0.822207
  C      -5.440101      5.608302      1.575470
  C      -5.927401      1.905913      7.527764
  C      -6.946478      2.881515      8.131066
  C      -8.384029      2.322482      8.147653
  C      -8.944460      2.119013      6.769387
  N      -8.818138      0.908223      6.230200
  C      -9.276899      0.739789      4.963097
  N      -9.836846      1.639749      4.178492
  C      -9.981667      2.892265      4.708110
  C     -10.556605      3.915038      3.914871
  C     -10.684412      5.191309      4.422013
  C     -10.248639      5.492569      5.733190
  C      -9.688430      4.513300      6.527528
  C      -9.540264      3.192036      6.035396
  H      -2.602240      2.570681      2.389378
  H      -4.285776      2.932993      2.784940
  H      -2.979165      0.290261      3.612157
  H      -3.637700      0.517544      1.991124
  H      -5.145588     -0.524555      3.957722
  H      -5.378437      1.164735      4.421853
  H      -8.544834      2.778036      1.614429
  H      -8.428116     -0.864141     -1.211711
  H      -7.055627     -2.950399     -1.327281
  H      -5.286092     -3.384130      0.365471
  H      -4.851474     -1.758950      2.172143
  H      -5.511286      6.405880      5.655971
  H      -4.540943      7.437054      6.718796
  H      -2.956443      7.894318      4.836929
  H      -4.615664      8.409455      4.519817
  H      -3.397355      7.286562      2.571615
  H      -3.400101      5.786191      3.479288
  H      -8.476996      6.837811      3.468230
  H      -7.985915      4.340772     -0.347885
  H      -6.025326      3.487461     -1.650499
  H      -3.708366      4.004117     -0.893755
  H      -3.327166      5.348306      1.143209
  H      -5.851425      1.008857      8.169600
  H      -6.296734      1.549319      6.553448
  H      -6.653498      3.131708      9.162776
  H      -6.922430      3.819831      7.554132
  H      -8.400201      1.352135      8.663775
  H      -9.024281      3.015691      8.713392
  H      -9.148691     -0.264325      4.547228
  H     -10.896468      3.661868      2.909868
  H     -11.123612      5.977907      3.807317
  H     -10.359229      6.507404      6.117360
  H      -9.352969      4.758157      7.535749
  N      -5.738887      3.769061      4.944153
  N      -6.748082      3.722500      4.364135
  H      -6.879342      2.536367      3.144885
98
Coordinates from ORCA-job orca E -6258.393840510504
  N      -3.032041      2.920881      4.424859
  Mo     -4.074480      3.749427      5.906684
  N      -4.571939      2.530158      7.376789
  C      -3.612255      2.331650      8.460450
  C      -2.212611      2.385131      7.864470
  N      -2.111938      3.552865      6.946061
  C      -1.102695      3.351039      5.871754
  C      -1.676418      2.473898      4.768866
  C      -1.885544      4.820300      7.695710
  C      -2.396243      5.990029      6.871241
  N      -3.698080      5.644677      6.302097
  H      -1.009466      2.548829      3.888875
  H      -1.659847      1.409410      5.076372
  H      -0.874643      4.342030      5.454861
  H      -0.171305      2.930847      6.289269
  H      -2.484147      6.880292      7.520534
  H      -1.668738      6.255806      6.079943
  H      -2.466662      4.755140      8.625403
  H      -0.819236      4.926634      7.960051
  H      -3.760554      1.344345      8.933442
  H      -3.728964      3.085378      9.263781
  H      -2.050186      1.480583      7.262147
  H      -1.426178      2.436633      8.637387
  C      -3.446704      2.514984      3.086554
  C      -3.781464      1.015855      2.935962
  C      -5.179306      0.638883      3.490143
  C      -6.268136      0.757575      2.476326
  N      -7.092211      1.810297      2.503875
  C      -8.132996      1.961279      1.624282
  N      -8.399949      1.124192      0.668607
  C      -7.588801      0.025329      0.557040
  C      -7.849355     -0.906076     -0.471400
  C      -7.059371     -2.030929     -0.596930
  C      -5.989736     -2.270043      0.297815
  C      -5.711170     -1.378394      1.311939
  C      -6.498444     -0.208511      1.460848
  C      -4.514484      6.785618      5.891366
  C      -3.980824      7.518151      4.652907
  C      -3.927042      6.638176      3.405074
  C      -5.257465      6.255665      2.812384
  N      -6.359902      6.735968      3.368070
  C      -7.551953      6.347693      2.843828
  N      -7.760032      5.566720      1.805280
  C      -6.638054      5.093813      1.181470
  C      -6.785231      4.277378      0.034857
  C      -5.671158      3.763340     -0.598626
  C      -4.372802      4.051985     -0.116554
  C      -4.200956      4.858089      0.992952
  C      -5.329096      5.396916      1.666258
  C      -5.889892      1.914305      7.541706
  C      -6.934619      2.863082      8.136485
  C      -8.371252      2.289602      8.135669
  C      -8.918793      2.074777      6.748208
  N      -8.799139      0.848586      6.239014
  C      -9.255263      0.645117      4.975774
  N      -9.810050      1.525177      4.166247
  C      -9.953696      2.791788      4.663363
  C     -10.535594      3.787106      3.842826
  C     -10.672851      5.074879      4.315961
  C     -10.241061      5.413421      5.621052
  C      -9.676060      4.459585      6.442963
  C      -9.516132      3.128087      5.986001
  H      -2.639001      2.759854      2.369242
  H      -4.316449      3.120411      2.791116
  H      -3.031297      0.426508      3.479849
  H      -3.701141      0.718116      1.880340
  H      -5.175630     -0.402217      3.840461
  H      -5.398949      1.264516      4.365796
  H      -8.746205      2.842842      1.785390
  H      -8.685018     -0.709068     -1.142694
  H      -7.264091     -2.751172     -1.391076
  H      -5.384423     -3.170013      0.184243
  H      -4.886806     -1.572871      1.996467
  H      -5.533847      6.431615      5.689759
  H      -4.579901      7.500029      6.734188
  H      -2.967867      7.901120      4.851787
  H      -4.623349      8.392791      4.472118
  H      -3.338760      7.139436      2.617862
  H      -3.371582      5.709108      3.629431
  H      -8.436579      6.721663      3.367332
  H      -7.798235      4.078791     -0.321001
  H      -5.789221      3.134237     -1.483142
  H      -3.503389      3.644688     -0.634801
  H      -3.194837      5.082406      1.352430
  H      -5.799489      1.014906      8.176928
  H      -6.247120      1.561476      6.564883
  H      -6.658269      3.116749      9.171854
  H      -6.910725      3.800761      7.560451
  H      -8.390169      1.321923      8.658516
  H      -9.018870      2.981173      8.689495
  H      -9.154195     -0.379484      4.595533
  H     -10.872425      3.505710      2.844056
  H     -11.119518      5.842686      3.680976
  H     -10.360158      6.437483      5.978749
  H      -9.347405      4.734864      7.444595
  N      -5.775042      3.797499      5.028425
  N      -6.797978      3.705678      4.485771
  H      -6.921618      2.468946      3.347672
98
Coordinates from ORCA-job orca E -6258.397987511025
  N      -3.005505      2.834560      4.459350
  Mo     -4.065929      3.707496      5.905725
  N      -4.588612      2.519674      7.389607
  C      -3.645023      2.331993      8.488171
  C      -2.235745      2.365890      7.910048
  N      -2.117686      3.517273      6.974059
  C      -1.093246      3.289631      5.919053
  C      -1.656985      2.388430      4.829389
  C      -1.898250      4.795341      7.704499
  C      -2.391406      5.957426      6.857728
  N      -3.686485      5.607259      6.276029
  H      -0.979182      2.436742      3.956785
  H      -1.651646      1.332308      5.164909
  H      -0.855556      4.270376      5.484363
  H      -0.169753      2.874685      6.358493
  H      -2.487359      6.852488      7.499014
  H      -1.649292      6.215702      6.077063
  H      -2.493927      4.746359      8.626329
  H      -0.835952      4.904383      7.982844
  H      -3.806353      1.353464      8.973904
  H      -3.767912      3.097405      9.278670
  H      -2.070547      1.451407      7.324566
  H      -1.459905      2.426297      8.692188
  C      -3.400578      2.402089      3.128114
  C      -3.738630      0.905356      3.015586
  C      -5.151492      0.562557      3.552291
  C      -6.214287      0.690769      2.509975
  N      -7.010622      1.766868      2.505005
  C      -8.016142      1.943154      1.587216
  N      -8.274131      1.103228      0.628480
  C      -7.495533     -0.022459      0.557250
  C      -7.750526     -0.958477     -0.468729
  C      -6.990699     -2.108176     -0.556537
  C      -5.956684     -2.367459      0.373461
  C      -5.683408     -1.472180      1.385962
  C      -6.441446     -0.279332      1.498192
  C      -4.476347      6.760914      5.842061
  C      -3.948163      7.508843      4.609277
  C      -3.928810      6.677126      3.328568
  C      -5.281175      6.344495      2.748603
  N      -6.363754      6.811342      3.354354
  C      -7.576161      6.454263      2.851185
  N      -7.821943      5.710258      1.792002
  C      -6.722440      5.256017      1.115866
  C      -6.908642      4.476592     -0.052658
  C      -5.817057      3.987925     -0.741110
  C      -4.504280      4.265013     -0.294072
  C      -4.296734      5.028124      0.838309
  C      -5.397005      5.538851      1.568903
  C      -5.909987      1.914152      7.550616
  C      -6.951952      2.869224      8.144841
  C      -8.378611      2.281377      8.142944
  C      -8.918574      2.066895      6.757214
  N      -8.774135      0.853381      6.228219
  C      -9.223931      0.668032      4.960106
  N      -9.791148      1.554166      4.165194
  C      -9.958841      2.807834      4.685725
  C     -10.554504      3.812387      3.885430
  C     -10.713177      5.087911      4.385279
  C     -10.287142      5.406799      5.695927
  C      -9.707822      4.444759      6.497574
  C      -9.528886      3.124652      6.013230
  H      -2.583686      2.621060      2.413504
  H      -4.264135      2.998986      2.802754
  H      -2.999872      0.319809      3.581596
  H      -3.651251      0.587117      1.965557
  H      -5.169094     -0.472280      3.922984
  H      -5.380047      1.211415      4.410112
  H      -8.602859      2.853745      1.712052
  H      -8.558120     -0.745117     -1.169253
  H      -7.191782     -2.831058     -1.348283
  H      -5.374659     -3.285401      0.288093
  H      -4.886022     -1.681115      2.098645
  H      -5.500380      6.425420      5.640613
  H      -4.529494      7.474897      6.686460
  H      -2.928723      7.877248      4.803157
  H      -4.582063      8.395158      4.459356
  H      -3.348204      7.205375      2.552647
  H      -3.381925      5.731809      3.502571
  H      -8.441506      6.821650      3.411002
  H      -7.931656      4.286200     -0.380334
  H      -5.964209      3.389978     -1.642081
  H      -3.651647      3.878405     -0.854420
  H      -3.281550      5.239473      1.174120
  H      -5.824075      1.016877      8.190676
  H      -6.266492      1.554783      6.573280
  H      -6.675800      3.123305      9.180154
  H      -6.936383      3.807798      7.568408
  H      -8.382096      1.310602      8.659004
  H      -9.039542      2.960771      8.699819
  H      -9.088862     -0.340783      4.556164
  H     -10.884522      3.546468      2.880326
  H     -11.169863      5.860918      3.765232
  H     -10.421729      6.421300      6.073915
  H      -9.383192      4.702160      7.505996
  N      -5.739965      3.790663      4.980003
  N      -6.750968      3.746852      4.404475
  H      -6.910751      2.520265      3.252698
98
Coordinates from ORCA-job orca E -6258.397948422430
  N      -3.039674      2.863830      4.451841
  Mo     -4.086270      3.725504      5.911564
  N      -4.593822      2.530288      7.395476
  C      -3.644255      2.345596      8.490264
  C      -2.239829      2.379854      7.903159
  N      -2.129859      3.531147      6.965982
  C      -1.115132      3.300151      5.902936
  C      -1.693423      2.405175      4.816091
  C      -1.902002      4.809501      7.695561
  C      -2.397811      5.969506      6.849529
  N      -3.698280      5.626232      6.275586
  H      -1.019022      2.449973      3.939781
  H      -1.693498      1.348027      5.148618
  H      -0.871244      4.279857      5.469186
  H      -0.192506      2.876107      6.335617
  H      -2.482867      6.870199      7.484605
  H      -1.663236      6.218656      6.059288
  H      -2.490697      4.763308      8.621752
  H      -0.837532      4.914093      7.966846
  H      -3.802952      1.368587      8.980105
  H      -3.762359      3.114438      9.277915
  H      -2.077574      1.464193      7.318268
  H      -1.458246      2.441269      8.680283
  C      -3.439398      2.452178      3.114758
  C      -3.775783      0.952416      2.983663
  C      -5.171162      0.582253      3.550374
  C      -6.253284      0.694899      2.529848
  N      -7.067529      1.754639      2.545091
  C      -8.076197      1.932275      1.632142
  N      -8.322833      1.105609      0.660484
  C      -7.530867     -0.008941      0.572111
  C      -7.774484     -0.930959     -0.469190
  C      -6.994713     -2.064315     -0.580262
  C      -5.950376     -2.320527      0.339429
  C      -5.687416     -1.437973      1.365460
  C      -6.468673     -0.263098      1.504260
  C      -4.486792      6.781301      5.840890
  C      -3.950751      7.512821      4.600554
  C      -3.913896      6.652700      3.338269
  C      -5.255752      6.306152      2.742870
  N      -6.350232      6.766900      3.330633
  C      -7.550776      6.393286      2.813376
  N      -7.775203      5.643228      1.755392
  C      -6.662597      5.196279      1.095802
  C      -6.825972      4.413960     -0.072992
  C      -5.720083      3.929965     -0.743141
  C      -4.415323      4.216398     -0.278179
  C      -4.229140      4.988701      0.851970
  C      -5.346417      5.491955      1.565763
  C      -5.907989      1.909530      7.551717
  C      -6.951760      2.843680      8.171263
  C      -8.377965      2.250196      8.163872
  C      -8.917428      2.056375      6.773641
  N      -8.783301      0.842107      6.240773
  C      -9.235059      0.661782      4.973706
  N      -9.803395      1.551955      4.183643
  C      -9.963513      2.805317      4.707478
  C     -10.558791      3.812762      3.910543
  C     -10.709430      5.088304      4.412198
  C     -10.280491      5.402692      5.723318
  C      -9.703550      4.437216      6.522769
  C      -9.527345      3.118233      6.035126
  H      -2.625558      2.685679      2.401556
  H      -4.306274      3.053545      2.804060
  H      -3.021982      0.364783      3.526213
  H      -3.701441      0.646932      1.929346
  H      -5.167470     -0.453187      3.916114
  H      -5.390919      1.223100      4.415866
  H      -8.664768      2.839512      1.760420
  H      -8.587690     -0.718093     -1.163316
  H      -7.185753     -2.776151     -1.384962
  H      -5.350943     -3.225885      0.234924
  H      -4.881303     -1.644559      2.068662
  H      -5.511819      6.446774      5.642192
  H      -4.536282      7.500725      6.680766
  H      -2.933701      7.885430      4.798167
  H      -4.585891      8.395028      4.429034
  H      -3.317017      7.156454      2.558903
  H      -3.376334      5.708619      3.545160
  H      -8.427963      6.751192      3.360578
  H      -7.843773      4.215982     -0.415562
  H      -5.849244      3.328729     -1.645034
  H      -3.552058      3.836630     -0.827195
  H      -3.219329      5.214904      1.197003
  H      -5.812644      0.999171      8.170544
  H      -6.267277      1.572461      6.569323
  H      -6.672621      3.080948      9.209887
  H      -6.939850      3.792610      7.613215
  H      -8.376684      1.270039      8.662438
  H      -9.037983      2.915195      8.735845
  H      -9.106165     -0.348609      4.569822
  H     -10.895781      3.550161      2.906735
  H     -11.167842      5.864156      3.796074
  H     -10.410995      6.416920      6.103910
  H      -9.376962      4.692100      7.530698
  N      -5.765999      3.805155      4.996300
  N      -6.773398      3.763018      4.415163
  H      -6.905313      2.551406      3.231120
98
Coordinates from ORCA-job orca E -6258.398377950498
  N      -3.065748      2.856100      4.472907
  Mo     -4.112743      3.717572      5.933728
  N      -4.596182      2.525425      7.427652
  C      -3.639214      2.355959      8.517344
  C      -2.238155      2.404007      7.920547
  N      -2.148002      3.551389      6.976403
  C      -1.137461      3.325987      5.907167
  C      -1.712034      2.415033      4.829802
  C      -1.934385      4.835962      7.697825
  C      -2.451146      5.989783      6.853597
  N      -3.747559      5.624603      6.285148
  H      -1.044511      2.459928      3.949087
  H      -1.700609      1.361368      5.172546
  H      -0.911530      4.306038      5.464573
  H      -0.205346      2.917992      6.334901
  H      -2.550685      6.885972      7.493037
  H      -1.719562      6.253489      6.064719
  H      -2.517344      4.783390      8.627627
  H      -0.870184      4.959133      7.962483
  H      -3.783218      1.378326      9.010216
  H      -3.762241      3.124084      9.305042
  H      -2.070151      1.488417      7.337542
  H      -1.451660      2.478385      8.690875
  C      -3.468303      2.451772      3.135392
  C      -3.796786      0.955279      2.987625
  C      -5.198079      0.577317      3.536714
  C      -6.275067      0.712637      2.509782
  N      -7.078625      1.781888      2.531492
  C      -8.077674      1.984502      1.612757
  N      -8.326114      1.171085      0.629222
  C      -7.544155      0.049636      0.532265
  C      -7.789494     -0.857475     -0.521737
  C      -7.021353     -1.998680     -0.640829
  C      -5.986928     -2.277254      0.283265
  C      -5.722338     -1.410140      1.322114
  C      -6.491344     -0.228141      1.468789
  C      -4.536807      6.767049      5.820700
  C      -3.998988      7.488721      4.576532
  C      -3.942701      6.623721      3.319326
  C      -5.273309      6.261727      2.707150
  N      -6.382549      6.711533      3.276953
  C      -7.572196      6.321302      2.744222
  N      -7.771555      5.561447      1.686220
  C      -6.643473      5.127440      1.044066
  C      -6.777948      4.336980     -0.124300
  C      -5.655874      3.869454     -0.777970
  C      -4.363098      4.178914     -0.295386
  C      -4.206014      4.953768      0.836887
  C      -5.338401      5.443316      1.532428
  C      -5.905593      1.899275      7.598332
  C      -6.948742      2.829782      8.226426
  C      -8.368859      2.227276      8.216001
  C      -8.897992      2.036298      6.822442
  N      -8.766405      0.824864      6.284729
  C      -9.200580      0.657135      5.008969
  N      -9.739113      1.560019      4.212856
  C      -9.890874      2.812671      4.741126
  C     -10.449755      3.835753      3.938000
  C     -10.584067      5.112418      4.442455
  C     -10.172025      5.413561      5.761845
  C      -9.631634      4.432431      6.567685
  C      -9.476269      3.111442      6.077814
  H      -2.658028      2.692559      2.419973
  H      -4.337900      3.050214      2.828127
  H      -3.042521      0.360496      3.523237
  H      -3.722510      0.670553      1.927039
  H      -5.194961     -0.465650      3.884023
  H      -5.425751      1.204340      4.411011
  H      -8.659398      2.897177      1.752352
  H      -8.595711     -0.628606     -1.218952
  H      -7.214917     -2.699337     -1.454174
  H      -5.397301     -3.187556      0.171664
  H      -4.924647     -1.633397      2.030192
  H      -5.557202      6.422925      5.617549
  H      -4.598831      7.500747      6.647393
  H      -2.987520      7.874580      4.777998
  H      -4.640629      8.363196      4.393143
  H      -3.342452      7.132827      2.545888
  H      -3.394735      5.687914      3.536971
  H      -8.461253      6.676607      3.274555
  H      -7.785321      4.123477     -0.483865
  H      -5.763500      3.264741     -1.680030
  H      -3.485995      3.808581     -0.828346
  H      -3.206020      5.190788      1.200236
  H      -5.799206      0.987611      8.214642
  H      -6.273209      1.560127      6.618007
  H      -6.667594      3.064703      9.264895
  H      -6.944803      3.779885      7.669077
  H      -8.364415      1.245607      8.710791
  H      -9.037898      2.888535      8.785388
  H      -9.073947     -0.350181      4.597886
  H     -10.769324      3.583922      2.925804
  H     -11.012927      5.899512      3.820210
  H     -10.286387      6.429259      6.142932
  H      -9.317396      4.676279      7.582667
  N      -5.798178      3.794325      5.029395
  N      -6.812374      3.754208      4.459198
  H      -6.959269      2.548577      3.279642
98
Coordinates from ORCA-job orca E -6258.397957616736
  N      -3.006577      2.850357      4.458445
  Mo     -4.079144      3.711113      5.903148
  N      -4.584107      2.522645      7.392103
  C      -3.638696      2.350446      8.491334
  C      -2.229063      2.398629      7.911793
  N      -2.125316      3.547074      6.970115
  C      -1.098490      3.330403      5.914512
  C      -1.652407      2.420731      4.826703
  C      -1.921238      4.829935      7.695346
  C      -2.430087      5.983827      6.846912
  N      -3.722722      5.616023      6.269210
  H      -0.976487      2.472660      3.953410
  H      -1.637811      1.366515      5.166745
  H      -0.874813      4.313502      5.477687
  H      -0.168811      2.928195      6.352784
  H      -2.536469      6.878087      7.487319
  H      -1.691920      6.249757      6.064899
  H      -2.515032      4.775149      8.618116
  H      -0.860099      4.954453      7.972080
  H      -3.789025      1.372681      8.981840
  H      -3.769501      3.117740      9.278830
  H      -2.054363      1.483890      7.329615
  H      -1.452976      2.471460      8.692367
  C      -3.399802      2.420252      3.125170
  C      -3.739458      0.926737      3.001771
  C      -5.155276      0.591043      3.534255
  C      -6.219453      0.729078      2.493430
  N      -7.001518      1.815574      2.488204
  C      -8.018915      1.996628      1.586781
  N      -8.302577      1.150707      0.640473
  C      -7.532360      0.018902      0.561519
  C      -7.811708     -0.921056     -0.454422
  C      -7.065310     -2.079645     -0.545854
  C      -6.021759     -2.344439      0.371730
  C      -5.725608     -1.446104      1.375426
  C      -6.467278     -0.243308      1.488562
  C      -4.518582      6.759051      5.822813
  C      -3.975656      7.505891      4.596451
  C      -3.916911      6.666462      3.323414
  C      -5.249027      6.328003      2.704459
  N      -6.350719      6.800330      3.270091
  C      -7.546498      6.434720      2.733506
  N      -7.757268      5.671047      1.679585
  C      -6.635972      5.210558      1.043622
  C      -6.782951      4.407883     -0.115220
  C      -5.668957      3.914802     -0.762770
  C      -4.371762      4.208627     -0.282792
  C      -4.202754      4.989589      0.843456
  C      -5.326128      5.507828      1.531439
  C      -5.895112      1.892059      7.545124
  C      -6.952968      2.812636      8.167576
  C      -8.370040      2.199197      8.154661
  C      -8.927300      2.016086      6.769231
  N      -8.802132      0.812906      6.211393
  C      -9.275747      0.658152      4.946662
  N      -9.844662      1.566920      4.179498
  C      -9.992466      2.810219      4.730207
  C     -10.596478      3.835573      3.964148
  C     -10.736847      5.101102      4.494541
  C     -10.282228      5.389575      5.802655
  C      -9.695546      4.406070      6.571979
  C      -9.537201      3.095130      6.056184
  H      -2.581701      2.641210      2.412679
  H      -4.261800      3.019004      2.798975
  H      -3.002019      0.332633      3.561246
  H      -3.657393      0.620850      1.947353
  H      -5.179012     -0.444127      3.905418
  H      -5.379081      1.242325      4.391554
  H      -8.603306      2.906222      1.727431
  H      -8.628266     -0.704651     -1.143428
  H      -7.286335     -2.806094     -1.328810
  H      -5.451642     -3.269128      0.284491
  H      -4.922320     -1.659772      2.080095
  H      -5.536781      6.413999      5.606632
  H      -4.588978      7.477397      6.661796
  H      -2.965760      7.889999      4.809534
  H      -4.617717      8.382750      4.428910
  H      -3.311343      7.187982      2.562773
  H      -3.376876      5.722242      3.523872
  H      -8.429444      6.811851      3.258781
  H      -7.792497      4.206567     -0.473018
  H      -5.786427      3.300533     -1.656989
  H      -3.500864      3.814905     -0.808657
  H      -3.200352      5.205725      1.210455
  H      -5.791224      0.977846      8.158811
  H      -6.251482      1.555581      6.559354
  H      -6.678026      3.042597      9.208712
  H      -6.954223      3.766594      7.616053
  H      -8.353865      1.214344      8.642792
  H      -9.038670      2.852089      8.736089
  H      -9.165383     -0.344677      4.518773
  H     -10.946213      3.593342      2.959717
  H     -11.201142      5.889727      3.900889
  H     -10.402304      6.396490      6.204208
  H      -9.351947      4.637877      7.580392
  N      -5.763230      3.780904      4.995022
  N      -6.781826      3.731728      4.433884
  H      -6.927244      2.531690      3.263580
98
Coordinates from ORCA-job orca E -6258.398863919292
  N      -3.058469      2.866306      4.464192
  Mo     -4.105006      3.737532      5.919227
  N      -4.596249      2.552553      7.416215
  C      -3.642137      2.383183      8.508382
  C      -2.239316      2.421260      7.914209
  N      -2.141043      3.563822      6.965345
  C      -1.129464      3.330615      5.898929
  C      -1.707159      2.419828      4.823667
  C      -1.920500      4.849258      7.682664
  C      -2.429036      6.001921      6.833316
  N      -3.728473      5.643349      6.265871
  H      -1.038536      2.456957      3.943481
  H      -1.702407      1.367558      5.170634
  H      -0.898014      4.308281      5.453928
  H      -0.200159      2.919290      6.329512
  H      -2.521950      6.901947      7.468153
  H      -1.696563      6.256646      6.042577
  H      -2.504736      4.803733      8.611921
  H      -0.855815      4.966898      7.948080
  H      -3.791948      1.408513      9.005340
  H      -3.762558      3.155461      9.292303
  H      -2.075131      1.502014      7.335882
  H      -1.454174      2.494623      8.686109
  C      -3.464573      2.451514      3.130598
  C      -3.813221      0.957662      3.000322
  C      -5.221514      0.607387      3.549494
  C      -6.292822      0.748355      2.517817
  N      -7.082038      1.828300      2.528009
  C      -8.079127      2.033090      1.608270
  N      -8.338977      1.212413      0.633745
  C      -7.571580      0.080053      0.548446
  C      -7.829930     -0.835427     -0.495120
  C      -7.076927     -1.987760     -0.602265
  C      -6.045379     -2.269675      0.324085
  C      -5.768697     -1.394717      1.353268
  C      -6.521522     -0.200998      1.487096
  C      -4.506766      6.791431      5.798279
  C      -3.949153      7.511240      4.561428
  C      -3.879031      6.643294      3.307319
  C      -5.203484      6.288671      2.679837
  N      -6.315347      6.751106      3.233374
  C      -7.501406      6.361638      2.692808
  N      -7.694484      5.583969      1.646765
  C      -6.562670      5.135512      1.020953
  C      -6.690272      4.323315     -0.133044
  C      -5.564213      3.844227     -0.771271
  C      -4.274185      4.163682     -0.287943
  C      -4.123822      4.957870      0.831683
  C      -5.260637      5.458193      1.512640
  C      -5.897898      1.906777      7.573472
  C      -6.960013      2.805206      8.217393
  C      -8.365204      2.166507      8.201695
  C      -8.904681      1.983514      6.810318
  N      -8.740744      0.787089      6.248162
  C      -9.185188      0.629256      4.974584
  N      -9.766144      1.527722      4.203540
  C      -9.956223      2.763230      4.759020
  C     -10.569520      3.778838      3.986813
  C     -10.748172      5.037910      4.520791
  C     -10.326686      5.328616      5.839456
  C      -9.732542      4.354409      6.615071
  C      -9.531437      3.051237      6.094758
  H      -2.650933      2.674391      2.413600
  H      -4.326663      3.057253      2.816222
  H      -3.068989      0.358734      3.544847
  H      -3.740666      0.658878      1.943364
  H      -5.235564     -0.431184      3.908688
  H      -5.441050      1.247741      4.415967
  H      -8.647564      2.955222      1.737175
  H      -8.633933     -0.603697     -1.193945
  H      -7.280565     -2.694797     -1.407655
  H      -5.467672     -3.188750      0.222225
  H      -4.973448     -1.620682      2.063170
  H      -5.527735      6.454676      5.583962
  H      -4.571441      7.523986      6.625671
  H      -2.939448      7.894397      4.776405
  H      -4.585991      8.387385      4.369118
  H      -3.262876      7.144369      2.541377
  H      -3.344090      5.702562      3.536197
  H      -8.393679      6.732012      3.206509
  H      -7.695328      4.101841     -0.494399
  H      -5.666440      3.222470     -1.662348
  H      -3.394008      3.784704     -0.809628
  H      -3.126059      5.201321      1.196839
  H      -5.778515      0.986103      8.173763
  H      -6.258767      1.579829      6.586931
  H      -6.682066      3.028103      9.259372
  H      -6.977999      3.764386      7.676374
  H      -8.329115      1.176893      8.679186
  H      -9.048329      2.797388      8.788305
  H      -9.031781     -0.365646      4.542745
  H     -10.896085      3.534776      2.974960
  H     -11.221203      5.818946      3.923322
  H     -10.477752      6.330223      6.244282
  H      -9.413742      4.588621      7.630776
  N      -5.789314      3.823840      5.013963
  N      -6.803820      3.793582      4.443429
  H      -6.957079      2.582535      3.271268
98
Coordinates from ORCA-job orca E -6258.398612600583
  N      -3.096203      2.873005      4.452727
  Mo     -4.147968      3.716195      5.918464
  N      -4.605007      2.509530      7.410330
  C      -3.639500      2.345090      8.493730
  C      -2.243363      2.416998      7.890951
  N      -2.175279      3.571663      6.953669
  C      -1.167750      3.368883      5.878570
  C      -1.734038      2.453369      4.802528
  C      -1.976266      4.855112      7.682213
  C      -2.509390      6.004158      6.843437
  N      -3.801344      5.627952      6.272794
  H      -1.071473      2.510734      3.918090
  H      -1.703717      1.398955      5.142437
  H      -0.959873      4.354460      5.439135
  H      -0.227013      2.973299      6.299135
  H      -2.619473      6.898030      7.484766
  H      -1.782863      6.278744      6.054054
  H      -2.554889      4.791393      8.613795
  H      -0.912905      4.989346      7.944668
  H      -3.769023      1.362723      8.981711
  H      -3.768062      3.107353      9.286180
  H      -2.064592      1.506740      7.302289
  H      -1.453897      2.498339      8.658227
  C      -3.498430      2.454743      3.119191
  C      -3.824369      0.953729      2.984769
  C      -5.221486      0.575191      3.541740
  C      -6.294755      0.695393      2.513334
  N      -7.095954      1.764422      2.520553
  C      -8.092874      1.957808      1.598672
  N      -8.341958      1.133115      0.626199
  C      -7.562058      0.009487      0.543556
  C      -7.807478     -0.908636     -0.500618
  C      -7.039346     -2.050550     -0.606886
  C      -6.005192     -2.319229      0.320592
  C      -5.740657     -1.440897      1.349822
  C      -6.510025     -0.257540      1.483411
  C      -4.607942      6.761573      5.813463
  C      -4.056975      7.511634      4.589696
  C      -3.945915      6.659916      3.326938
  C      -5.251113      6.279553      2.675972
  N      -6.381148      6.717420      3.212284
  C      -7.548557      6.314403      2.643827
  N      -7.708415      5.547452      1.586061
  C      -6.557435      5.127747      0.975955
  C      -6.650873      4.338411     -0.195477
  C      -5.505097      3.889586     -0.822200
  C      -4.228609      4.220563     -0.310201
  C      -4.110798      4.998354      0.825268
  C      -5.270317      5.464565      1.496244
  C      -5.901425      1.857529      7.580177
  C      -6.943243      2.750334      8.258755
  C      -8.363432      2.142020      8.245860
  C      -8.915927      2.005492      6.852823
  N      -8.839567      0.799433      6.290631
  C      -9.297549      0.671126      5.018972
  N      -9.812108      1.608212      4.246740
  C      -9.903681      2.856968      4.797360
  C     -10.428974      3.914946      4.017030
  C     -10.500376      5.188223      4.541947
  C     -10.061862      5.449699      5.861895
  C      -9.556111      4.433426      6.646712
  C      -9.460799      3.115683      6.134397
  H      -2.687116      2.692193      2.403934
  H      -4.368086      3.050620      2.805924
  H      -3.068025      0.365229      3.522753
  H      -3.750008      0.660277      1.927156
  H      -5.218486     -0.461993      3.902274
  H      -5.449856      1.212429      4.407486
  H      -8.667208      2.875018      1.721719
  H      -8.612977     -0.686631     -1.200773
  H      -7.232167     -2.759824     -1.413489
  H      -5.415058     -3.231142      0.219281
  H      -4.943310     -1.656681      2.060115
  H      -5.618498      6.400597      5.586299
  H      -4.699718      7.481933      6.649262
  H      -3.061664      7.921292      4.821443
  H      -4.716817      8.372016      4.400084
  H      -3.331787      7.183374      2.574603
  H      -3.390953      5.730462      3.554045
  H      -8.457196      6.667035      3.140656
  H      -7.646610      4.111126     -0.582069
  H      -5.581306      3.285391     -1.728201
  H      -3.333167      3.868091     -0.824772
  H      -3.122065      5.254063      1.210419
  H      -5.774476      0.925446      8.160566
  H      -6.280244      1.551972      6.594797
  H      -6.649523      2.945032      9.302040
  H      -6.948357      3.721930      7.740748
  H      -8.350070      1.141590      8.702025
  H      -9.023175      2.775998      8.853248
  H      -9.223163     -0.335299      4.591409
  H     -10.773270      3.693160      3.005750
  H     -10.904229      6.003324      3.938025
  H     -10.128548      6.463208      6.260525
  H      -9.221885      4.648184      7.661596
  N      -5.843152      3.768271      5.029874
  N      -6.858091      3.712024      4.464201
  H      -6.977804      2.525516      3.251327
98
Coordinates from ORCA-job orca E -6258.399128076676
  N      -3.092185      2.879241      4.459695
  Mo     -4.136816      3.740096      5.921484
  N      -4.604481      2.545537      7.418777
  C      -3.644061      2.385380      8.506607
  C      -2.245005      2.439674      7.905341
  N      -2.165242      3.584088      6.956801
  C      -1.158917      3.361707      5.883418
  C      -1.735156      2.444836      4.812488
  C      -1.954552      4.871151      7.674494
  C      -2.477589      6.020341      6.829382
  N      -3.773877      5.650316      6.262923
  H      -1.071594      2.486731      3.928618
  H      -1.719146      1.392983      5.160578
  H      -0.940389      4.341663      5.436868
  H      -0.222581      2.959456      6.307388
  H      -2.578999      6.917793      7.466855
  H      -1.749035      6.285224      6.038248
  H      -2.533938      4.818643      8.606425
  H      -0.890046      4.999142      7.935701
  H      -3.781513      1.408580      9.003013
  H      -3.769431      3.155358      9.291833
  H      -2.073443      1.522590      7.325735
  H      -1.456432      2.521608      8.672985
  C      -3.497953      2.465160      3.126172
  C      -3.840102      0.970165      2.992844
  C      -5.243933      0.611893      3.547106
  C      -6.318184      0.751152      2.518714
  N      -7.108481      1.829861      2.530861
  C      -8.106806      2.035761      1.613019
  N      -8.370353      1.213446      0.640937
  C      -7.603516      0.080866      0.554448
  C      -7.865565     -0.835745     -0.487245
  C      -7.112076     -1.987495     -0.596414
  C      -6.076736     -2.267995      0.326102
  C      -5.796580     -1.392104      1.353473
  C      -6.549790     -0.198810      1.489269
  C      -4.559026      6.790698      5.785972
  C      -3.997567      7.520154      4.555945
  C      -3.887471      6.654216      3.303104
  C      -5.191314      6.272499      2.648421
  N      -6.325039      6.706879      3.180237
  C      -7.490094      6.290607      2.614394
  N      -7.643249      5.507591      1.565836
  C      -6.488490      5.091004      0.959920
  C      -6.573105      4.281863     -0.199983
  C      -5.422882      3.838209     -0.820718
  C      -4.150864      4.192827     -0.314631
  C      -4.042408      4.985851      0.810598
  C      -5.204856      5.448073      1.475487
  C      -5.894873      1.878315      7.575886
  C      -6.957721      2.749585      8.253806
  C      -8.359205      2.101871      8.235795
  C      -8.908776      1.948844      6.844284
  N      -8.782283      0.753871      6.268928
  C      -9.238979      0.621659      4.996645
  N      -9.796428      1.544677      4.237289
  C      -9.943730      2.780360      4.804732
  C     -10.523352      3.823333      4.042995
  C     -10.654188      5.083869      4.587374
  C     -10.220833      5.347823      5.907930
  C      -9.661341      4.346121      6.674311
  C      -9.506091      3.041687      6.141870
  H      -2.685881      2.692312      2.408979
  H      -4.362384      3.067816      2.812599
  H      -3.090429      0.372192      3.530948
  H      -3.771454      0.676798      1.934137
  H      -5.252615     -0.427016      3.904998
  H      -5.463453      1.250404      4.414773
  H      -8.673914      2.958710      1.742532
  H      -8.672365     -0.605049     -1.183191
  H      -7.318170     -2.695249     -1.400582
  H      -5.498804     -3.186881      0.222755
  H      -4.998595     -1.616922      2.060656
  H      -5.573774      6.442520      5.560866
  H      -4.641163      7.522168      6.612987
  H      -3.000172      7.925635      4.786470
  H      -4.649989      8.382551      4.353260
  H      -3.265893      7.167095      2.549465
  H      -3.339221      5.723634      3.542186
  H      -8.401786      6.643789      3.105770
  H      -7.564625      4.035727     -0.582396
  H      -5.492126      3.219292     -1.716941
  H      -3.251399      3.843716     -0.824143
  H      -3.058186      5.257395      1.192839
  H      -5.757640      0.944323      8.151675
  H      -6.263376      1.572273      6.585558
  H      -6.670925      2.948328      9.298250
  H      -6.987053      3.722058      7.737493
  H      -8.314289      1.101543      8.689540
  H      -9.040645      2.714191      8.844069
  H      -9.119136     -0.373557      4.554851
  H     -10.860971      3.599557      3.030059
  H     -11.100531      5.886466      3.997801
  H     -10.335056      6.350734      6.321573
  H      -9.332682      4.560178      7.691417
  N      -5.826496      3.819376      5.026138
  N      -6.841771      3.788813      4.457437
  H      -6.989147      2.582909      3.277443
98
Coordinates from ORCA-job orca E -6258.399040045871
  N      -3.080515      2.856241      4.467153
  Mo     -4.126079      3.744652      5.911100
  N      -4.601249      2.575703      7.426269
  C      -3.641065      2.428781      8.516495
  C      -2.240527      2.463539      7.915593
  N      -2.151598      3.591500      6.948421
  C      -1.145034      3.345268      5.880424
  C      -1.727525      2.415318      4.824865
  C      -1.929897      4.887573      7.645832
  C      -2.451987      6.026871      6.787178
  N      -3.756832      5.655450      6.239221
  H      -1.065181      2.435147      3.939664
  H      -1.722457      1.370002      5.191765
  H      -0.920031      4.316472      5.418139
  H      -0.211659      2.943685      6.311412
  H      -2.541090      6.934624      7.411237
  H      -1.730238      6.273740      5.984341
  H      -2.504926      4.851088      8.581120
  H      -0.863232      5.013808      7.899606
  H      -3.784456      1.462650      9.031641
  H      -3.760648      3.214246      9.287269
  H      -2.075751      1.535776      7.351176
  H      -1.452142      2.551511      8.682731
  C      -3.497233      2.421926      3.142118
  C      -3.871274      0.932148      3.032845
  C      -5.295997      0.617664      3.562536
  C      -6.343680      0.774886      2.509052
  N      -7.101499      1.876815      2.492493
  C      -8.068158      2.104951      1.547101
  N      -8.331184      1.282475      0.574958
  C      -7.600798      0.123609      0.520763
  C      -7.867756     -0.796374     -0.516538
  C      -7.150091     -1.973437     -0.594947
  C      -6.146367     -2.276034      0.355057
  C      -5.862721     -1.397560      1.379581
  C      -6.579486     -0.179094      1.483995
  C      -4.556727      6.794680      5.788821
  C      -4.012907      7.539566      4.560306
  C      -3.895810      6.682056      3.303254
  C      -5.195029      6.290519      2.647566
  N      -6.332955      6.712245      3.180196
  C      -7.493649      6.283566      2.614321
  N      -7.637755      5.488581      1.572864
  C      -6.478519      5.078854      0.970055
  C      -6.553641      4.251073     -0.177557
  C      -5.398562      3.819421     -0.797172
  C      -4.130752      4.203791     -0.302503
  C      -4.031338      5.010719      0.813538
  C      -5.199075      5.461218      1.477773
  C      -5.882953      1.893606      7.582497
  C      -6.957949      2.742364      8.270443
  C      -8.347920      2.072078      8.231427
  C      -8.882688      1.927375      6.832543
  N      -8.715406      0.745767      6.240715
  C      -9.147355      0.620987      4.959231
  N      -9.715268      1.541332      4.204532
  C      -9.909441      2.762596      4.790546
  C     -10.508909      3.800401      4.037462
  C     -10.690172      5.045999      4.601792
  C     -10.288416      5.299552      5.934220
  C      -9.709029      4.302809      6.691961
  C      -9.502009      3.013875      6.139131
  H      -2.681266      2.620620      2.421308
  H      -4.348488      3.037233      2.817425
  H      -3.147507      0.328727      3.599420
  H      -3.788137      0.614589      1.982035
  H      -5.338940     -0.416512      3.932108
  H      -5.515725      1.272233      4.417906
  H      -8.600156      3.052740      1.645985
  H      -8.649754     -0.547903     -1.234212
  H      -7.360532     -2.683937     -1.395567
  H      -5.596225     -3.213823      0.275658
  H      -5.089673     -1.639710      2.108322
  H      -5.571799      6.441379      5.570893
  H      -4.633234      7.517541      6.623549
  H      -3.020164      7.957726      4.788567
  H      -4.679508      8.393284      4.368353
  H      -3.276186      7.201822      2.553219
  H      -3.344256      5.752956      3.539627
  H      -8.409478      6.631036      3.102580
  H      -7.541036      3.983453     -0.554697
  H      -5.461009      3.186972     -1.684382
  H      -3.227751      3.862805     -0.810975
  H      -3.050192      5.302709      1.188679
  H      -5.733603      0.953904      8.146145
  H      -6.252694      1.597224      6.589939
  H      -6.680129      2.928187      9.319607
  H      -6.995377      3.721468      7.767487
  H      -8.288111      1.066066      8.671030
  H      -9.046186      2.662813      8.842652
  H      -8.993102     -0.364144      4.504257
  H     -10.820622      3.583722      3.014665
  H     -11.152514      5.844478      4.019464
  H     -10.443559      6.290176      6.363358
  H      -9.406225      4.507483      7.718823
  N      -5.817514      3.823716      5.017525
  N      -6.837451      3.796327      4.455829
  H      -6.982080      2.620597      3.247430
98
Coordinates from ORCA-job orca E -6258.399261378161
  N      -3.097016      2.871610      4.450351
  Mo     -4.138078      3.751983      5.901847
  N      -4.608252      2.569270      7.408242
  C      -3.647753      2.417926      8.497523
  C      -2.248326      2.457980      7.896205
  N      -2.162258      3.592082      6.935938
  C      -1.158634      3.352111      5.864145
  C      -1.743939      2.428309      4.805027
  C      -1.939746      4.884025      7.641579
  C      -2.461267      6.028138      6.789325
  N      -3.765500      5.661166      6.238742
  H      -1.082437      2.452373      3.919012
  H      -1.737946      1.380812      5.166206
  H      -0.933666      4.325844      5.407161
  H      -0.224776      2.946968      6.290815
  H      -2.549933      6.933405      7.417317
  H      -1.738862      6.278242      5.987969
  H      -2.514232      4.842896      8.577046
  H      -0.872972      5.007502      7.895833
  H      -3.790245      1.448893      9.007521
  H      -3.768483      3.199438      9.271971
  H      -2.081896      1.533591      7.326627
  H      -1.459566      2.542946      8.663450
  C      -3.513571      2.437725      3.125526
  C      -3.878903      0.945164      3.019382
  C      -5.293007      0.618361      3.568413
  C      -6.352561      0.756180      2.525346
  N      -7.120776      1.850600      2.506078
  C      -8.095466      2.063273      1.564642
  N      -8.357310      1.230714      0.600961
  C      -7.617040      0.078239      0.550744
  C      -7.881651     -0.851374     -0.478535
  C      -7.151820     -2.020954     -0.554147
  C      -6.137815     -2.306182      0.390309
  C      -5.855782     -1.417645      1.406371
  C      -6.586051     -0.206963      1.508673
  C      -4.565714      6.801944      5.790854
  C      -4.014474      7.558019      4.571931
  C      -3.881866      6.707093      3.312028
  C      -5.174197      6.319193      2.640549
  N      -6.316946      6.744448      3.159805
  C      -7.471817      6.321417      2.578687
  N      -7.606237      5.531852      1.532318
  C      -6.441129      5.119445      0.942566
  C      -6.505312      4.298248     -0.210213
  C      -5.344086      3.859998     -0.814069
  C      -4.080915      4.232088     -0.298522
  C      -3.992095      5.036484      0.820315
  C      -5.166638      5.492717      1.468871
  C      -5.885111      1.877456      7.558771
  C      -6.957950      2.714105      8.263803
  C      -8.348416      2.043744      8.229700
  C      -8.894754      1.909869      6.834560
  N      -8.752445      0.726330      6.239739
  C      -9.201797      0.610173      4.963449
  N      -9.765504      1.539852      4.216768
  C      -9.931725      2.763530      4.805487
  C     -10.523291      3.811698      4.060350
  C     -10.677391      5.059485      4.627635
  C     -10.257475      5.304261      5.956197
  C      -9.685911      4.297204      6.706355
  C      -9.504643      3.006382      6.149420
  H      -2.698735      2.639957      2.404254
  H      -4.367953      3.049442      2.801852
  H      -3.143476      0.347371      3.576844
  H      -3.804811      0.627934      1.968065
  H      -5.321724     -0.413164      3.945756
  H      -5.510491      1.276434      4.421468
  H      -8.633348      3.008133      1.657261
  H      -8.670935     -0.615702     -1.192603
  H      -7.359695     -2.738715     -1.349012
  H      -5.577882     -3.238670      0.313174
  H      -5.074487     -1.646368      2.130670
  H      -5.578465      6.448004      5.563396
  H      -4.650306      7.517746      6.631108
  H      -3.026101      7.979741      4.812006
  H      -4.683921      8.409479      4.378314
  H      -3.253951      7.229835      2.570890
  H      -3.333373      5.776592      3.550575
  H      -8.392324      6.671044      3.056127
  H      -7.489255      4.039650     -0.603867
  H      -5.397919      3.231727     -1.704859
  H      -3.172876      3.887582     -0.795748
  H      -3.014192      5.322144      1.209253
  H      -5.729841      0.930860      8.109157
  H      -6.256516      1.593002      6.563387
  H      -6.672256      2.888388      9.312874
  H      -6.999983      3.699267      7.773264
  H      -8.285182      1.034487      8.661027
  H      -9.041456      2.628850      8.851513
  H      -9.069571     -0.376802      4.506547
  H     -10.851076      3.601365      3.041240
  H     -11.133135      5.866448      4.051331
  H     -10.392263      6.296543      6.388820
  H      -9.369645      4.495788      7.730503
  N      -5.830317      3.832346      5.009991
  N      -6.847708      3.804406      4.444868
  H      -7.004234      2.601787      3.253229
98
Coordinates from ORCA-job orca E -6258.399232775234
  N      -3.116575      2.885436      4.457304
  Mo     -4.161122      3.751055      5.915579
  N      -4.617192      2.560916      7.419530
  C      -3.656789      2.420076      8.509916
  C      -2.257630      2.473676      7.907114
  N      -2.184693      3.609406      6.947269
  C      -1.181257      3.381366      5.872347
  C      -1.758916      2.453831      4.811273
  C      -1.976743      4.903190      7.653810
  C      -2.508318      6.044800      6.803664
  N      -3.805058      5.664874      6.244325
  H      -1.097287      2.485680      3.925653
  H      -1.743044      1.405747      5.170531
  H      -0.968523      4.358329      5.416375
  H      -0.241790      2.986482      6.296257
  H      -2.611391      6.945274      7.436650
  H      -1.784154      6.309207      6.008065
  H      -2.552074      4.854652      8.588455
  H      -0.911819      5.038295      7.909718
  H      -3.790330      1.449902      9.020024
  H      -3.785588      3.200421      9.283805
  H      -2.082644      1.551169      7.337288
  H      -1.468866      2.567139      8.673310
  C      -3.522566      2.463479      3.126078
  C      -3.876531      0.970229      3.006005
  C      -5.288147      0.627632      3.551234
  C      -6.353142      0.776287      2.514393
  N      -7.131736      1.863499      2.518190
  C      -8.119773      2.078304      1.591576
  N      -8.388503      1.253311      0.622670
  C      -7.637863      0.109201      0.548821
  C      -7.909865     -0.813069     -0.485340
  C      -7.172350     -1.976247     -0.581996
  C      -6.143717     -2.262895      0.346089
  C      -5.854718     -1.382090      1.366751
  C      -6.591616     -0.177306      1.489788
  C      -4.597805      6.798716      5.765280
  C      -4.038807      7.540192      4.541854
  C      -3.887810      6.674543      3.293438
  C      -5.169832      6.259864      2.616097
  N      -6.325006      6.654790      3.132071
  C      -7.466912      6.200661      2.548140
  N      -7.577408      5.410848      1.498692
  C      -6.400276      5.036772      0.907041
  C      -6.438568      4.226117     -0.254825
  C      -5.264039      3.825924     -0.859151
  C      -4.013242      4.226721     -0.335437
  C      -3.950087      5.021372      0.791860
  C      -5.137844      5.439955      1.440309
  C      -5.889095      1.859151      7.564777
  C      -6.959314      2.682909      8.289664
  C      -8.348980      2.011951      8.259650
  C      -8.906999      1.890735      6.868333
  N      -8.800373      0.705306      6.270080
  C      -9.267787      0.603557      4.998589
  N      -9.810950      1.550091      4.257994
  C      -9.933037      2.777924      4.848126
  C     -10.490116      3.847086      4.106080
  C     -10.595002      5.099762      4.673992
  C     -10.159597      5.329170      6.000253
  C      -9.621333      4.301745      6.747400
  C      -9.489641      3.005464      6.189034
  H      -2.707695      2.677526      2.408229
  H      -4.380810      3.070974      2.804999
  H      -3.136661      0.371787      3.557184
  H      -3.801431      0.665754      1.950830
  H      -5.308506     -0.409786      3.912591
  H      -5.507244      1.271424      4.414577
  H      -8.673030      3.012139      1.709650
  H      -8.711467     -0.577437     -1.185628
  H      -7.386159     -2.688436     -1.380181
  H      -5.578368     -3.190631      0.252729
  H      -5.062518     -1.611871      2.078845
  H      -5.607221      6.440362      5.533508
  H      -4.692444      7.526310      6.594562
  H      -3.056338      7.973700      4.784945
  H      -4.712663      8.383581      4.329498
  H      -3.262642      7.199271      2.551154
  H      -3.326611      5.754306      3.543514
  H      -8.397959      6.524284      3.023702
  H      -7.413257      3.946363     -0.656535
  H      -5.298004      3.205826     -1.756524
  H      -3.094549      3.911572     -0.832563
  H      -2.982266      5.327742      1.188547
  H      -5.725355      0.904022      8.097976
  H      -6.265274      1.590150      6.566567
  H      -6.664760      2.845334      9.338160
  H      -7.008230      3.674027      7.811703
  H      -8.284112      0.998923      8.681542
  H      -9.037160      2.592468      8.891880
  H      -9.167511     -0.385689      4.539042
  H     -10.829115      3.649226      3.088227
  H     -11.022705      5.923141      4.099409
  H     -10.254968      6.325917      6.433059
  H      -9.290719      4.488025      7.769383
  N      -5.848704      3.834384      5.017865
  N      -6.862399      3.818364      4.445239
  H      -7.003733      2.622978      3.254090
98
Coordinates from ORCA-job orca E -6258.399410748807
  N      -3.123051      2.884011      4.449820
  Mo     -4.164740      3.758553      5.904126
  N      -4.617657      2.572903      7.413265
  C      -3.653844      2.433846      8.501115
  C      -2.256189      2.484870      7.895332
  N      -2.184364      3.617656      6.932242
  C      -1.183714      3.385032      5.855982
  C      -1.765004      2.452799      4.801563
  C      -1.972115      4.912780      7.634734
  C      -2.505570      6.051890      6.782827
  N      -3.805629      5.672459      6.230968
  H      -1.106412      2.478713      3.913542
  H      -1.749831      1.406832      5.166879
  H      -0.971862      4.359966      5.395155
  H      -0.243294      2.991182      6.278770
  H      -2.604022      6.955232      7.412331
  H      -1.784759      6.311037      5.982668
  H      -2.543971      4.867578      8.571632
  H      -0.905981      5.047015      7.886259
  H      -3.786895      1.465381      9.014655
  H      -3.779663      3.216688      9.273128
  H      -2.083314      1.560668      7.327478
  H      -1.465619      2.579360      8.659601
  C      -3.537692      2.449980      3.124571
  C      -3.903537      0.957869      3.018600
  C      -5.320245      0.631908      3.561860
  C      -6.377344      0.777913      2.517112
  N      -7.142371      1.874546      2.501719
  C      -8.115090      2.094184      1.560118
  N      -8.380231      1.265067      0.594151
  C      -7.644439      0.109944      0.540854
  C      -7.914423     -0.817273     -0.489267
  C      -7.190034     -1.990104     -0.567094
  C      -6.176280     -2.281081      0.375908
  C      -5.889396     -1.395311      1.392958
  C      -6.614043     -0.181419      1.497534
  C      -4.604198      6.806182      5.762379
  C      -4.040500      7.559863      4.547898
  C      -3.874303      6.702414      3.296286
  C      -5.148308      6.291314      2.603608
  N      -6.307392      6.697647      3.101299
  C      -7.444217      6.246796      2.505607
  N      -7.545877      5.444076      1.465255
  C      -6.363504      5.053926      0.894623
  C      -6.392079      4.223830     -0.253397
  C      -5.212420      3.812883     -0.840548
  C      -3.965795      4.220799     -0.312139
  C      -3.911781      5.031235      0.804450
  C      -5.105472      5.460626      1.435711
  C      -5.882260      1.858954      7.559786
  C      -6.957557      2.661149      8.300522
  C      -8.339639      1.975134      8.259244
  C      -8.895190      1.870091      6.865012
  N      -8.772927      0.694703      6.250248
  C      -9.234233      0.604994      4.975654
  N      -9.787055      1.555135      4.246920
  C      -9.929035      2.772322      4.855305
  C     -10.504440      3.842627      4.129131
  C     -10.633197      5.084093      4.716352
  C     -10.204043      5.300428      6.046955
  C      -9.648606      4.271336      6.779046
  C      -9.492087      2.986590      6.200744
  H      -2.722723      2.651332      2.403235
  H      -4.391318      3.061899      2.799426
  H      -3.170614      0.359360      3.578639
  H      -3.826970      0.641638      1.967066
  H      -5.351312     -0.401152      3.934734
  H      -5.538452      1.287264      4.416702
  H      -8.651326      3.039691      1.657462
  H      -8.703738     -0.577482     -1.201920
  H      -7.402337     -2.706240     -1.362224
  H      -5.620730     -3.215979      0.296906
  H      -5.108692     -1.628423      2.116463
  H      -5.611524      6.445512      5.523018
  H      -4.704939      7.526423      6.597249
  H      -3.062509      7.997131      4.802114
  H      -4.717809      8.400739      4.336579
  H      -3.239950      7.229372      2.563698
  H      -3.318019      5.780378      3.549884
  H      -8.379204      6.581999      2.964871
  H      -7.363117      3.938962     -0.660429
  H      -5.239171      3.178931     -1.728498
  H      -3.043084      3.896645     -0.795799
  H      -2.946600      5.342024      1.205310
  H      -5.706494      0.898443      8.079384
  H      -6.262415      1.599432      6.560798
  H      -6.663369      2.808217      9.351370
  H      -7.015170      3.659354      7.838932
  H      -8.262237      0.955922      8.663963
  H      -9.035485      2.535908      8.900786
  H      -9.122933     -0.377477      4.503398
  H     -10.839308      3.653950      3.108084
  H     -11.075864      5.908335      4.154467
  H     -10.319188      6.288104      6.495388
  H      -9.325731      4.447345      7.805232
  N      -5.857370      3.836613      5.014139
  N      -6.874555      3.815345      4.448123
  H      -7.021781      2.627276      3.246047
98
Coordinates from ORCA-job orca E -6258.399419980416
  N      -3.137095      2.891496      4.436648
  Mo     -4.174434      3.771839      5.889689
  N      -4.626168      2.585064      7.398432
  C      -3.662996      2.449182      8.487382
  C      -2.265032      2.496790      7.881901
  N      -2.191806      3.627057      6.915806
  C      -1.193992      3.388990      5.838254
  C      -1.780663      2.455456      4.788330
  C      -1.973904      4.922943      7.615322
  C      -2.506252      6.061677      6.762709
  N      -3.809268      5.685225      6.216191
  H      -1.123288      2.474076      3.899190
  H      -1.769749      1.410980      5.158131
  H      -0.980131      4.361989      5.374212
  H      -0.253996      2.993241      6.260235
  H      -2.599058      6.967214      7.389918
  H      -1.787818      6.316119      5.958927
  H      -2.543380      4.881357      8.553790
  H      -0.906720      5.054289      7.863800
  H      -3.797548      1.483123      9.005024
  H      -3.788402      3.235602      9.255595
  H      -2.093054      1.570608      7.316994
  H      -1.474578      2.592220      8.646279
  C      -3.557650      2.445277      3.117248
  C      -3.932881      0.954106      3.031146
  C      -5.350981      0.643728      3.579317
  C      -6.404889      0.779876      2.530523
  N      -7.160206      1.882683      2.493245
  C      -8.125085      2.095371      1.541880
  N      -8.392914      1.252183      0.588909
  C      -7.669295      0.088641      0.560580
  C      -7.943499     -0.854073     -0.454199
  C      -7.229471     -2.034524     -0.508172
  C      -6.222014     -2.317660      0.443913
  C      -5.931111     -1.416531      1.446204
  C      -6.645785     -0.194917      1.526744
  C      -4.611819      6.821346      5.759724
  C      -4.050897      7.592191      4.553950
  C      -3.860505      6.744847      3.299123
  C      -5.122788      6.315571      2.596541
  N      -6.291467      6.696619      3.091688
  C      -7.416656      6.224117      2.491146
  N      -7.498088      5.419310      1.450981
  C      -6.306144      5.054418      0.883320
  C      -6.314205      4.222130     -0.263031
  C      -5.124389      3.838732     -0.848622
  C      -3.888013      4.277444     -0.320445
  C      -3.853873      5.090354      0.795217
  C      -5.058415      5.490285      1.425745
  C      -5.877740      1.847217      7.531869
  C      -6.961286      2.610542      8.301117
  C      -8.334569      1.907997      8.240508
  C      -8.890284      1.834553      6.843860
  N      -8.767476      0.673137      6.203093
  C      -9.228033      0.611715      4.926510
  N      -9.779757      1.577924      4.218377
  C      -9.922754      2.781072      4.853708
  C     -10.497335      3.867283      4.150680
  C     -10.629438      5.094573      4.766171
  C     -10.206890      5.279476      6.103627
  C      -9.651466      4.234596      6.813041
  C      -9.488914      2.964596      6.204732
  H      -2.742859      2.633048      2.392401
  H      -4.407947      3.059268      2.787043
  H      -3.203652      0.359354      3.599991
  H      -3.857709      0.622136      1.984404
  H      -5.387956     -0.383005      3.968290
  H      -5.566103      1.313644      4.423333
  H      -8.648430      3.049932      1.615657
  H      -8.727287     -0.619500     -1.174672
  H      -7.444746     -2.762591     -1.291607
  H      -5.674408     -3.258728      0.383767
  H      -5.155194     -1.643663      2.176756
  H      -5.617381      6.458762      5.515661
  H      -4.716758      7.531506      6.602787
  H      -3.082574      8.044259      4.818651
  H      -4.741376      8.422444      4.342900
  H      -3.227954      7.284344      2.574145
  H      -3.293895      5.829112      3.552886
  H      -8.360246      6.542101      2.944949
  H      -7.277763      3.913002     -0.670799
  H      -5.135397      3.203045     -1.735659
  H      -2.957676      3.976282     -0.804408
  H      -2.896259      5.425760      1.195240
  H      -5.684009      0.874338      8.021545
  H      -6.259864      1.612361      6.527742
  H      -6.666399      2.727246      9.355595
  H      -7.031380      3.622434      7.872441
  H      -8.243288      0.878680      8.615496
  H      -9.037400      2.439795      8.899106
  H      -9.116330     -0.360119      4.433100
  H     -10.828910      3.701619      3.124551
  H     -11.071412      5.931416      4.222639
  H     -10.326711      6.255740      6.575316
  H      -9.333814      4.386554      7.844761
  N      -5.866717      3.854886      4.999280
  N      -6.883413      3.840219      4.431904
  H      -7.043254      2.640193      3.235722
98
Coordinates from ORCA-job orca E -6258.399460706866
  N      -3.146389      2.894585      4.436390
  Mo     -4.183607      3.775111      5.889577
  N      -4.628386      2.589565      7.401123
  C      -3.662086      2.457510      8.487713
  C      -2.265576      2.508206      7.879041
  N      -2.198242      3.638059      6.912196
  C      -1.202241      3.402664      5.832332
  C      -1.787130      2.464893      4.784958
  C      -1.983573      4.935321      7.610229
  C      -2.522076      6.071822      6.757810
  N      -3.824345      5.689403      6.213852
  H      -1.132184      2.485209      3.894226
  H      -1.771114      1.421007      5.156329
  H      -0.994887      4.376050      5.366126
  H      -0.258939      3.012394      6.252034
  H      -2.617812      6.977090      7.384988
  H      -1.805536      6.328922      5.953143
  H      -2.550825      4.892293      8.550009
  H      -0.916316      5.071135      7.856142
  H      -3.793187      1.492013      9.007189
  H      -3.787548      3.244704      9.255061
  H      -2.092441      1.582266      7.314151
  H      -1.473590      2.606377      8.641408
  C      -3.568968      2.447222      3.117794
  C      -3.945268      0.956525      3.030579
  C      -5.367209      0.648195      3.570494
  C      -6.416085      0.793077      2.517393
  N      -7.168148      1.898468      2.483020
  C      -8.130652      2.117841      1.530497
  N      -8.397915      1.279582      0.572906
  C      -7.677264      0.114073      0.541192
  C      -7.952244     -0.824013     -0.477651
  C      -7.242580     -2.007080     -0.533836
  C      -6.238948     -2.297446      0.420106
  C      -5.947562     -1.401077      1.426543
  C      -6.657429     -0.176849      1.509045
  C      -4.631013      6.819896      5.752659
  C      -4.067381      7.589959      4.548485
  C      -3.865913      6.739362      3.297422
  C      -5.119778      6.305205      2.581967
  N      -6.295234      6.696086      3.053031
  C      -7.412131      6.225356      2.435181
  N      -7.478720      5.413236      1.398942
  C      -6.278377      5.036890      0.856467
  C      -6.268148      4.196471     -0.284591
  C      -5.069203      3.804853     -0.845506
  C      -3.841429      4.241438     -0.296608
  C      -3.825210      5.059929      0.815130
  C      -5.038921      5.470299      1.419369
  C      -5.876114      1.847170      7.540435
  C      -6.956007      2.602233      8.323486
  C      -8.326128      1.894401      8.267991
  C      -8.888382      1.818337      6.874484
  N      -8.771848      0.655450      6.235843
  C      -9.237466      0.593485      4.960974
  N      -9.784871      1.561407      4.251869
  C      -9.920232      2.766580      4.885243
  C     -10.488137      3.855355      4.180953
  C     -10.612019      5.084503      4.794344
  C     -10.186949      5.269034      6.131002
  C      -9.637350      4.221905      6.841445
  C      -9.483383      2.949894      6.234983
  H      -2.754809      2.634563      2.392165
  H      -4.418640      3.062220      2.787980
  H      -3.219704      0.360766      3.603096
  H      -3.865803      0.625008      1.983932
  H      -5.408872     -0.380223      3.954944
  H      -5.584302      1.315124      4.416258
  H      -8.652884      3.073083      1.608290
  H      -8.733433     -0.584178     -1.199225
  H      -7.458804     -2.731743     -1.320084
  H      -5.694909     -3.240343      0.358079
  H      -5.174639     -1.633706      2.158564
  H      -5.633366      6.451635      5.504217
  H      -4.743873      7.531421      6.593572
  H      -3.102480      8.046815      4.817408
  H      -4.759980      8.416773      4.331665
  H      -3.227664      7.278635      2.577235
  H      -3.300077      5.825310      3.558742
  H      -8.362185      6.553156      2.868536
  H      -7.224142      3.889625     -0.710585
  H      -5.066296      3.164155     -1.728965
  H      -2.903321      3.932412     -0.760107
  H      -2.874484      5.391239      1.232955
  H      -5.675059      0.871284      8.021505
  H      -6.266053      1.617748      6.537965
  H      -6.653644      2.712951      9.376486
  H      -7.033301      3.616510      7.901643
  H      -8.228110      0.865229      8.641604
  H      -9.029224      2.422695      8.929455
  H      -9.130803     -0.379308      4.468577
  H     -10.820650      3.689882      3.155098
  H     -11.048387      5.923337      4.249516
  H     -10.299978      6.246853      6.601054
  H      -9.317614      4.373712      7.872583
  N      -5.876841      3.855634      5.000790
  N      -6.894173      3.841466      4.434728
  H      -7.047630      2.655023      3.224860
98
Coordinates from ORCA-job orca E -6258.399455663936
  N      -3.131626      2.892328      4.444777
  Mo     -4.170058      3.774223      5.896524
  N      -4.626403      2.589798      7.405313
  C      -3.665756      2.454882      8.496551
  C      -2.266642      2.499143      7.893767
  N      -2.190367      3.628568      6.927007
  C      -1.191304      3.389009      5.850879
  C      -1.775747      2.456169      4.798977
  C      -1.972299      4.924965      7.625567
  C      -2.501800      6.063372      6.770072
  N      -3.803333      5.686991      6.220523
  H      -1.116388      2.476582      3.911338
  H      -1.765051      1.411025      5.167123
  H      -0.976988      4.361910      5.386807
  H      -0.251714      2.993817      6.274261
  H      -2.595680      6.969630      7.396145
  H      -1.780826      6.316755      5.968074
  H      -2.543838      4.885319      8.562874
  H      -0.905441      5.055528      7.875838
  H      -3.803156      1.490266      9.016108
  H      -3.791558      3.243449      9.262413
  H      -2.094943      1.572252      7.329956
  H      -1.477526      2.594239      8.659525
  C      -3.547918      2.450165      3.122576
  C      -3.920515      0.958830      3.029402
  C      -5.340827      0.644071      3.568701
  C      -6.391581      0.787680      2.517684
  N      -7.149240      1.889289      2.488365
  C      -8.118497      2.103373      1.541469
  N      -8.384813      1.265876      0.582993
  C      -7.655385      0.106222      0.543880
  C      -7.927219     -0.830130     -0.477405
  C      -7.209356     -2.007838     -0.540175
  C      -6.200537     -2.294551      0.409430
  C      -5.912014     -1.399715      1.417949
  C      -6.630291     -0.180783      1.507281
  C      -4.602138      6.821173      5.753882
  C      -4.034629      7.580549      4.544605
  C      -3.860365      6.724234      3.293110
  C      -5.131388      6.313595      2.594070
  N      -6.291750      6.728988      3.080919
  C      -7.426477      6.280618      2.479725
  N      -7.524410      5.471651      1.443826
  C      -6.340083      5.069951      0.885189
  C      -6.363701      4.229377     -0.255404
  C      -5.181096      3.810808     -0.831542
  C      -3.936704      4.218744     -0.297915
  C      -3.887580      5.037232      0.813036
  C      -5.083937      5.475221      1.432120
  C      -5.878310      1.852918      7.539289
  C      -6.960598      2.619244      8.308354
  C      -8.335392      1.920285      8.252285
  C      -8.893457      1.830351      6.857959
  N      -8.783443      0.658892      6.233976
  C      -9.251337      0.583287      4.960569
  N      -9.797634      1.544099      4.241061
  C      -9.926781      2.757548      4.859345
  C     -10.494848      3.838684      4.143449
  C     -10.615702      5.074977      4.742642
  C     -10.186923      5.274566      6.075963
  C      -9.636539      4.235288      6.797374
  C      -9.485978      2.955992      6.205750
  H      -2.731569      2.642019      2.400462
  H      -4.397890      3.065086      2.793290
  H      -3.193966      0.363818      3.601396
  H      -3.838608      0.629634      1.982325
  H      -5.378683     -0.385519      3.950031
  H      -5.559395      1.307453      4.416781
  H      -8.650970      3.051657      1.627564
  H      -8.712481     -0.593242     -1.195520
  H      -7.422879     -2.731133     -1.328463
  H      -5.650082     -3.233457      0.342228
  H      -5.134700     -1.629458      2.146188
  H      -5.608004      6.460002      5.509742
  H      -4.707835      7.536903      6.592230
  H      -3.059745      8.021121      4.804475
  H      -4.714756      8.418618      4.331308
  H      -3.221652      7.251609      2.564476
  H      -3.307460      5.800689      3.548976
  H      -8.363093      6.623377      2.929995
  H      -7.332573      3.942286     -0.666758
  H      -5.203821      3.169959     -1.714624
  H      -3.011943      3.888724     -0.773665
  H      -2.924444      5.347428      1.218545
  H      -5.685150      0.880197      8.029698
  H      -6.261230      1.617242      6.535632
  H      -6.663803      2.736756      9.362241
  H      -7.030484      3.630673      7.878574
  H      -8.246942      0.895316      8.639592
  H      -9.037853      2.462200      8.902730
  H      -9.152669     -0.396794      4.481290
  H     -10.830879      3.661545      3.120724
  H     -11.052335      5.907980      4.189012
  H     -10.297924      6.257901      6.535068
  H      -9.314234      4.399052      7.825878
  N      -5.858596      3.857083      4.999843
  N      -6.873217      3.843529      4.429194
  H      -7.025078      2.647382      3.226981
98
Coordinates from ORCA-job orca E -6258.399476165288
  N      -3.147796      2.896999      4.443116
  Mo     -4.182104      3.779723      5.896931
  N      -4.629409      2.595648      7.408703
  C      -3.665073      2.464791      8.497320
  C      -2.268116      2.511778      7.889764
  N      -2.198450      3.639893      6.921036
  C      -1.203269      3.401090      5.841234
  C      -1.789733      2.464492      4.793750
  C      -1.980983      4.937633      7.617187
  C      -2.515328      6.073769      6.762020
  N      -3.816914      5.694155      6.214849
  H      -1.133411      2.483897      3.903776
  H      -1.775640      1.420340      5.164552
  H      -0.993492      4.373643      5.374304
  H      -0.260893      3.009177      6.261475
  H      -2.610174      6.980355      7.387541
  H      -1.796641      6.328370      5.958414
  H      -2.549441      4.897982      8.556340
  H      -0.913656      5.070837      7.864028
  H      -3.798460      1.500608      9.018735
  H      -3.790492      3.254212      9.262290
  H      -2.095929      1.584393      7.326875
  H      -1.476516      2.610215      8.652626
  C      -3.567273      2.452076      3.122899
  C      -3.945203      0.961491      3.035288
  C      -5.367536      0.654749      3.574176
  C      -6.415954      0.800817      2.521447
  N      -7.164597      1.908112      2.485746
  C      -8.127620      2.127869      1.534024
  N      -8.397467      1.289401      0.577554
  C      -7.678360      0.123163      0.545592
  C      -7.954219     -0.814144     -0.473728
  C      -7.245559     -1.997660     -0.530372
  C      -6.242028     -2.289301      0.423358
  C      -5.949636     -1.393599      1.429969
  C      -6.658783     -0.168909      1.513308
  C      -4.615490      6.826678      5.742971
  C      -4.042397      7.588002      4.537319
  C      -3.849245      6.732088      3.288360
  C      -5.109514      6.307905      2.578419
  N      -6.278893      6.706224      3.057736
  C      -7.402735      6.241744      2.448514
  N      -7.482050      5.430740      1.412806
  C      -6.288438      5.047302      0.861315
  C      -6.292266      4.207393     -0.279794
  C      -5.099826      3.807708     -0.849221
  C      -3.864963      4.235911     -0.309244
  C      -3.835066      5.054722      0.802181
  C      -5.042022      5.471954      1.415633
  C      -5.874194      1.847139      7.541918
  C      -6.959002      2.595519      8.324342
  C      -8.328070      1.885761      8.263080
  C      -8.886160      1.805957      6.867841
  N      -8.771228      0.640017      6.234315
  C      -9.236584      0.573070      4.959499
  N      -9.785028      1.537805      4.246901
  C      -9.919336      2.745839      4.874806
  C     -10.490484      3.830604      4.166794
  C     -10.615887      5.061837      4.775378
  C     -10.189639      5.252331      6.110889
  C      -9.637084      4.209168      6.825049
  C      -9.481199      2.935068      6.223589
  H      -2.751537      2.639418      2.398995
  H      -4.415866      3.068532      2.792952
  H      -3.221701      0.365849      3.610351
  H      -3.863468      0.627969      1.989603
  H      -5.411101     -0.373296      3.958658
  H      -5.583777      1.322038      4.419792
  H      -8.649574      3.082657      1.612418
  H      -8.734977     -0.573144     -1.195356
  H      -7.462151     -2.721704     -1.317195
  H      -5.698700     -3.232725      0.360830
  H      -5.176498     -1.627152      2.161372
  H      -5.619136      6.462903      5.493028
  H      -4.728083      7.542420      6.580454
  H      -3.073351      8.036326      4.805546
  H      -4.726801      8.420763      4.316693
  H      -3.209299      7.264784      2.564778
  H      -3.289861      5.814121      3.549953
  H      -8.347314      6.572317      2.890986
  H      -7.254019      3.905382     -0.697330
  H      -5.107461      3.167127     -1.732797
  H      -2.932487      3.921803     -0.780719
  H      -2.879065      5.381600      1.212304
  H      -5.670606      0.870628      8.020424
  H      -6.260516      1.619802      6.537748
  H      -6.659828      2.702222      9.378685
  H      -7.037666      3.611536      7.907195
  H      -8.230591      0.857346      8.639122
  H      -9.034406      2.414210      8.920366
  H      -9.134445     -0.403275      4.472991
  H     -10.825084      3.660244      3.142419
  H     -11.054803      5.897741      4.227824
  H     -10.304766      6.231595      6.577628
  H      -9.317533      4.365765      7.855454
  N      -5.873559      3.862069      5.005838
  N      -6.889476      3.851497      4.437306
  H      -7.042320      2.662692      3.227800
98
Coordinates from ORCA-job orca E -6258.399475707677
  N      -3.144425      2.895404      4.439341
  Mo     -4.176149      3.782966      5.892064
  N      -4.626042      2.600228      7.403785
  C      -3.660831      2.466857      8.491539
  C      -2.263896      2.509934      7.883437
  N      -2.191450      3.638062      6.914942
  C      -1.197515      3.396483      5.834541
  C      -1.786904      2.460264      4.788279
  C      -1.969497      4.935238      7.611120
  C      -2.503186      6.072800      6.757118
  N      -3.807427      5.695240      6.215019
  H      -1.131852      2.477417      3.897455
  H      -1.774839      1.416445      5.160044
  H      -0.986097      4.368333      5.366936
  H      -0.255658      3.002583      6.254110
  H      -2.593888      6.979961      7.382296
  H      -1.786310      6.324698      5.951174
  H      -2.536240      4.896689      8.551365
  H      -0.901356      5.065902      7.855862
  H      -3.796523      1.503492      9.013727
  H      -3.783416      3.257101      9.256115
  H      -2.094617      1.582288      7.320114
  H      -1.471735      2.605666      8.646001
  C      -3.570199      2.445115      3.122619
  C      -3.952975      0.955536      3.041684
  C      -5.377717      0.657308      3.579478
  C      -6.424026      0.804917      2.524348
  N      -7.165997      1.916864      2.482270
  C      -8.127687      2.137505      1.529190
  N      -8.401936      1.295669      0.576947
  C      -7.689671      0.124889      0.551317
  C      -7.970609     -0.815950     -0.463297
  C      -7.269421     -2.004314     -0.513153
  C      -6.268781     -2.297402      0.443119
  C      -5.971664     -1.398385      1.445480
  C      -6.672598     -0.168563      1.521341
  C      -4.613302      6.827460      5.756403
  C      -4.050223      7.597458      4.552018
  C      -3.855546      6.747963      3.299030
  C      -5.113719      6.316535      2.589300
  N      -6.286099      6.708024      3.067232
  C      -7.406580      6.241249      2.452944
  N      -7.479666      5.435334      1.412407
  C      -6.282782      5.057225      0.864030
  C      -6.278915      4.221419     -0.280460
  C      -5.082873      3.825371     -0.844654
  C      -3.851798      4.253280     -0.296308
  C      -3.829471      5.068643      0.817664
  C      -5.039963      5.483011      1.425334
  C      -5.870814      1.852559      7.538354
  C      -6.955838      2.603713      8.317882
  C      -8.323922      1.892614      8.258122
  C      -8.879251      1.801542      6.862741
  N      -8.757373      0.632591      6.236317
  C      -9.219441      0.556181      4.960867
  N      -9.769435      1.514670      4.241005
  C      -9.911894      2.725386      4.862256
  C     -10.487224      3.803482      4.147523
  C     -10.621091      5.037149      4.749376
  C     -10.198955      5.236890      6.084718
  C      -9.642010      4.200595      6.805284
  C      -9.477991      2.924131      6.210884
  H      -2.755955      2.627185      2.395812
  H      -4.417676      3.062819      2.792292
  H      -3.232342      0.360186      3.620775
  H      -3.871218      0.616474      1.997710
  H      -5.426678     -0.369343      3.967537
  H      -5.592337      1.328385      4.422589
  H      -8.643264      3.096700      1.601645
  H      -8.749298     -0.573847     -1.186807
  H      -7.490058     -2.731073     -1.296262
  H      -5.731571     -3.244569      0.386069
  H      -5.200862     -1.633179      2.179019
  H      -5.616616      6.460666      5.509125
  H      -4.724662      7.538028      6.598370
  H      -3.082875      8.050378      4.818634
  H      -4.740591      8.426897      4.337976
  H      -3.221086      7.288136      2.576148
  H      -3.289208      5.833228      3.556192
  H      -8.353827      6.566911      2.893918
  H      -7.237256      3.919423     -0.704976
  H      -5.084752      3.187685     -1.730317
  H      -2.916195      3.941260     -0.762897
  H      -2.876608      5.394738      1.234846
  H      -5.668602      0.876857      8.019271
  H      -6.256888      1.623113      6.534427
  H      -6.657511      2.713933      9.372097
  H      -7.034845      3.618286      7.897054
  H      -8.225688      0.867057      8.641705
  H      -9.032705      2.425199      8.909666
  H      -9.109680     -0.421819      4.479516
  H     -10.818496      3.625773      3.123300
  H     -11.063192      5.867693      4.196501
  H     -10.320547      6.217832      6.546138
  H      -9.325470      4.364466      7.835528
  N      -5.868666      3.868376      5.002689
  N      -6.885735      3.859389      4.436262
  H      -7.042506      2.673657      3.224087
98
Coordinates from ORCA-job orca E -6258.399486759376
  N      -3.147537      2.897272      4.442697
  Mo     -4.179169      3.785028      5.895372
  N      -4.628348      2.602566      7.407481
  C      -3.663522      2.470512      8.495794
  C      -2.266462      2.514305      7.887830
  N      -2.194944      3.641985      6.918748
  C      -1.201082      3.400804      5.838180
  C      -1.789606      2.463656      4.792260
  C      -1.974128      4.939536      7.614228
  C      -2.507433      6.076482      6.759244
  N      -3.810358      5.698178      6.214636
  H      -1.134203      2.481230      3.901666
  H      -1.776508      1.419961      5.164320
  H      -0.990840      4.372660      5.370022
  H      -0.258657      3.008189      6.257685
  H      -2.599916      6.983508      7.384418
  H      -1.789267      6.329241      5.954623
  H      -2.541631      4.901207      8.554015
  H      -0.906256      5.070880      7.859742
  H      -3.798729      1.507292      9.018340
  H      -3.787025      3.261050      9.259859
  H      -2.096417      1.586487      7.325041
  H      -1.474390      2.611213      8.650351
  C      -3.571244      2.447864      3.125165
  C      -3.953071      0.958043      3.043555
  C      -5.378036      0.658086      3.579686
  C      -6.424023      0.807389      2.524574
  N      -7.167006      1.918617      2.485238
  C      -8.128745      2.140477      1.532655
  N      -8.402094      1.300831      0.578182
  C      -7.688704      0.130905      0.549699
  C      -7.968782     -0.807852     -0.467105
  C      -7.266470     -1.995409     -0.519710
  C      -6.265564     -2.289796      0.435906
  C      -5.969350     -1.392886      1.440383
  C      -6.671510     -0.163910      1.519162
  C      -4.611043      6.830853      5.747338
  C      -4.040851      7.595263      4.542683
  C      -3.847560      6.741952      3.292073
  C      -5.107352      6.315987      2.582080
  N      -6.277511      6.715711      3.058631
  C      -7.400587      6.252671      2.446500
  N      -7.478247      5.442883      1.409469
  C      -6.283656      5.056970      0.861674
  C      -6.285054      4.216622     -0.279292
  C      -5.091470      3.813489     -0.843721
  C      -3.857715      4.238348     -0.298822
  C      -3.830232      5.057311      0.812462
  C      -5.038242      5.478819      1.420369
  C      -5.871115      1.850812      7.539271
  C      -6.958302      2.595508      8.322037
  C      -8.324589      1.881067      8.259793
  C      -8.880008      1.793385      6.864068
  N      -8.759723      0.625517      6.235288
  C      -9.222811      0.551921      4.959964
  N      -9.771987      1.512335      4.242140
  C      -9.911966      2.722279      4.865370
  C     -10.484763      3.802773      4.152133
  C     -10.615540      5.035899      4.755818
  C     -10.192734      5.232728      6.091412
  C      -9.638188      4.194066      6.810478
  C      -9.477147      2.918128      6.214200
  H      -2.756470      2.630670      2.399090
  H      -4.418739      3.065315      2.794391
  H      -3.232759      0.363098      3.623459
  H      -3.869869      0.619332      1.999582
  H      -5.426629     -0.369362      3.965603
  H      -5.593429      1.327392      4.423935
  H      -8.645886      3.098576      1.608082
  H      -8.747703     -0.564825     -1.190044
  H      -7.486369     -2.720560     -1.304526
  H      -5.727458     -3.236323      0.376613
  H      -5.198359     -1.628661      2.173394
  H      -5.614394      6.466232      5.497563
  H      -4.723803      7.544658      6.586421
  H      -3.072082      8.044337      4.810646
  H      -4.726587      8.427473      4.324468
  H      -3.209775      7.277730      2.568823
  H      -3.285762      5.825094      3.551800
  H      -8.345904      6.584736      2.886671
  H      -7.245473      3.916964     -0.700970
  H      -5.097319      3.172511     -1.726982
  H      -2.924178      3.920660     -0.765709
  H      -2.875342      5.380892      1.227225
  H      -5.665795      0.873919      8.016363
  H      -6.256733      1.624081      6.534545
  H      -6.660022      2.701733      9.376672
  H      -7.040239      3.611785      7.905965
  H      -8.224327      0.854504      8.640103
  H      -9.034658      2.409916      8.913046
  H      -9.114445     -0.425308      4.476746
  H     -10.816847      3.627281      3.127791
  H     -11.055815      5.868270      4.204198
  H     -10.311759      6.213333      6.554212
  H      -9.320808      4.355802      7.840781
  N      -5.870572      3.870221      5.004298
  N      -6.886872      3.862792      4.436302
  H      -7.042178      2.675446      3.225725
98
Coordinates from ORCA-job orca E -6258.399493089327
  N      -3.153464      2.899612      4.446999
  Mo     -4.179609      3.792440      5.900242
  N      -4.628416      2.612782      7.414598
  C      -3.662693      2.481648      8.502349
  C      -2.266503      2.520908      7.892430
  N      -2.194284      3.646487      6.921052
  C      -1.203433      3.400904      5.838796
  C      -1.796093      2.463350      4.795652
  C      -1.968860      4.944595      7.614014
  C      -2.500274      6.081280      6.757724
  N      -3.804117      5.705283      6.213949
  H      -1.141719      2.478060      3.904143
  H      -1.784717      1.420148      5.169212
  H      -0.991881      4.371401      5.368377
  H      -0.261022      3.006860      6.257014
  H      -2.590398      6.989593      7.381437
  H      -1.782013      6.331278      5.952319
  H      -2.535124      4.909457      8.554653
  H      -0.900298      5.073385      7.857827
  H      -3.799416      1.520125      9.027588
  H      -3.783722      3.274675      9.264153
  H      -2.099266      1.591490      7.331399
  H      -1.473044      2.617752      8.653585
  C      -3.578760      2.450214      3.130043
  C      -3.966251      0.961432      3.050735
  C      -5.392994      0.667684      3.585064
  C      -6.436747      0.822248      2.528900
  N      -7.173365      1.937463      2.488822
  C      -8.131997      2.165072      1.534649
  N      -8.408008      1.327792      0.578982
  C      -7.700934      0.154123      0.550948
  C      -7.983650     -0.781982     -0.467565
  C      -7.286994     -1.972794     -0.520252
  C      -6.289223     -2.273141      0.436830
  C      -5.990471     -1.378890      1.442876
  C      -6.687148     -0.146789      1.522082
  C      -4.600670      6.838834      5.741178
  C      -4.024788      7.598522      4.536214
  C      -3.832432      6.742021      3.287505
  C      -5.092783      6.318492      2.577224
  N      -6.262080      6.721366      3.053094
  C      -7.385869      6.259684      2.441471
  N      -7.465090      5.449146      1.405286
  C      -6.271309      5.060347      0.857814
  C      -6.274293      4.219262     -0.282518
  C      -5.081359      3.813238     -0.846405
  C      -3.846717      4.236102     -0.301873
  C      -3.817679      5.056251      0.808534
  C      -5.025122      5.480078      1.416292
  C      -5.867848      1.855315      7.544689
  C      -6.958891      2.594722      8.326938
  C      -8.321762      1.873397      8.266478
  C      -8.875114      1.772464      6.870712
  N      -8.752338      0.599015      6.252844
  C      -9.215659      0.512301      4.978414
  N      -9.768832      1.464152      4.252301
  C      -9.911161      2.679641      4.864091
  C     -10.488032      3.751588      4.141290
  C     -10.621828      4.989975      4.733382
  C     -10.198615      5.200547      6.066752
  C      -9.640423      4.170335      6.795126
  C      -9.475599      2.889499      6.210636
  H      -2.763314      2.629372      2.403825
  H      -4.423898      3.070691      2.798800
  H      -3.249633      0.365251      3.633809
  H      -3.881900      0.619500      2.007970
  H      -5.447125     -0.359474      3.970662
  H      -5.606260      1.337782      4.429125
  H      -8.643821      3.125871      1.609499
  H      -8.759848     -0.534194     -1.191803
  H      -7.508735     -2.695866     -1.306519
  H      -5.755483     -3.222191      0.377312
  H      -5.221865     -1.619257      2.176856
  H      -5.604406      6.476275      5.489900
  H      -4.713951      7.555036      6.578196
  H      -3.054712      8.044165      4.805134
  H      -4.706597      8.433173      4.314734
  H      -3.192907      7.274906      2.563622
  H      -3.273304      5.824133      3.549342
  H      -8.330508      6.592982      2.882026
  H      -7.235404      3.920743     -0.703845
  H      -5.088364      3.171561     -1.729182
  H      -2.913842      3.916581     -0.768861
  H      -2.862219      5.379445      1.222590
  H      -5.658900      0.879043      8.021360
  H      -6.251670      1.627695      6.539596
  H      -6.660848      2.703023      9.381441
  H      -7.046022      3.610294      7.910408
  H      -8.217381      0.850096      8.654381
  H      -9.035587      2.403395      8.914470
  H      -9.106301     -0.469609      4.505008
  H     -10.821263      3.565337      3.119212
  H     -11.065352      5.815778      4.174401
  H     -10.320332      6.185050      6.520581
  H      -9.322989      4.342740      7.823648
  N      -5.871959      3.880157      5.011557
  N      -6.888673      3.876312      4.444272
  H      -7.046204      2.690578      3.231014
98
Coordinates from ORCA-job orca E -6258.399502146726
  N      -3.159079      2.903739      4.451093
  Mo     -4.179900      3.802679      5.904164
  N      -4.628582      2.625239      7.420071
  C      -3.662200      2.494909      8.507570
  C      -2.266481      2.530004      7.896072
  N      -2.193466      3.653857      6.922794
  C      -1.205584      3.404288      5.838733
  C      -1.802083      2.465477      4.798870
  C      -1.963698      4.952251      7.613577
  C      -2.493263      6.089119      6.756455
  N      -3.797876      5.715054      6.213440
  H      -1.148850      2.476737      3.906454
  H      -1.792279      1.423120      5.174797
  H      -0.993681      4.373458      5.365724
  H      -0.262775      3.009560      6.255441
  H      -2.581407      6.998224      7.379318
  H      -1.774706      6.337008      5.950624
  H      -2.528867      4.919720      8.554950
  H      -0.894508      5.078687      7.855835
  H      -3.800448      1.535149      9.035453
  H      -3.781104      3.290347      9.267047
  H      -2.101935      1.599271      7.336448
  H      -1.471819      2.626546      8.656027
  C      -3.587129      2.451332      3.136074
  C      -3.981231      0.963914      3.063176
  C      -5.411212      0.679496      3.593546
  C      -6.451234      0.840119      2.534594
  N      -7.177847      1.961696      2.490076
  C      -8.132869      2.194746      1.533876
  N      -8.415172      1.357066      0.580386
  C      -7.718203      0.177348      0.556625
  C      -8.007679     -0.759256     -0.459531
  C      -7.321223     -1.956153     -0.507811
  C      -6.327434     -2.262337      0.451581
  C      -6.022384     -1.367859      1.455523
  C      -6.708355     -0.129458      1.530063
  C      -4.589577      6.849900      5.735202
  C      -4.007487      7.604968      4.530506
  C      -3.815294      6.745309      3.283897
  C      -5.075824      6.325435      2.571733
  N      -6.244374      6.735036      3.043822
  C      -7.368863      6.277899      2.430101
  N      -7.449375      5.466738      1.394566
  C      -6.256162      5.070909      0.850899
  C      -6.260463      4.228199     -0.288149
  C      -5.068101      3.814512     -0.847626
  C      -3.832705      4.231189     -0.299974
  C      -3.802411      5.052914      0.809230
  C      -5.009332      5.484540      1.412517
  C      -5.862591      1.858321      7.545028
  C      -6.960090      2.586333      8.328706
  C      -8.316399      1.853330      8.265969
  C      -8.865367      1.742876      6.869080
  N      -8.734553      0.567282      6.257002
  C      -9.195875      0.471376      4.982423
  N      -9.754252      1.416060      4.250990
  C      -9.904062      2.633885      4.856521
  C     -10.486805      3.698809      4.127937
  C     -10.628107      4.939500      4.713566
  C     -10.207529      5.159269      6.046217
  C      -9.644222      4.135951      6.780336
  C      -9.471114      2.853238      6.202421
  H      -2.771491      2.624360      2.408634
  H      -4.429657      3.074407      2.803063
  H      -3.269846      0.367802      3.652732
  H      -3.894513      0.615599      2.022712
  H      -5.472933     -0.346912      3.980051
  H      -5.622602      1.351851      4.436203
  H      -8.636868      3.160048      1.605688
  H      -8.780799     -0.506955     -1.185495
  H      -7.548115     -2.679609     -1.292243
  H      -5.801912     -3.216165      0.395567
  H      -5.257100     -1.612860      2.191446
  H      -5.593517      6.489837      5.481558
  H      -4.703601      7.568312      6.570259
  H      -3.036269      8.047070      4.801138
  H      -4.684953      8.442145      4.305320
  H      -3.172873      7.275093      2.560253
  H      -3.259637      5.826123      3.548405
  H      -8.312983      6.616438      2.867821
  H      -7.221913      3.934438     -0.712019
  H      -5.076027      3.171455     -1.729378
  H      -2.900288      3.905407     -0.763511
  H      -2.846591      5.371519      1.225954
  H      -5.647657      0.881363      8.017580
  H      -6.243681      1.632698      6.538395
  H      -6.663510      2.693657      9.383724
  H      -7.055639      3.602457      7.915464
  H      -8.204924      0.832220      8.657561
  H      -9.036781      2.379601      8.909911
  H      -9.080245     -0.512296      4.514256
  H     -10.819199      3.505158      3.106952
  H     -11.076056      5.759780      4.150033
  H     -10.335333      6.145306      6.494977
  H      -9.328866      4.315303      7.808279
  N      -5.872854      3.893974      5.017285
  N      -6.890210      3.895508      4.450837
  H      -7.047839      2.715605      3.232175
98
Coordinates from ORCA-job orca E -6258.399523681985
  N      -3.168928      2.908199      4.455761
  Mo     -4.180883      3.819653      5.906978
  N      -4.629759      2.647368      7.426567
  C      -3.661443      2.517642      8.512793
  C      -2.266725      2.544484      7.898093
  N      -2.191965      3.665494      6.921725
  C      -1.209136      3.409098      5.834708
  C      -1.812209      2.467331      4.801403
  C      -1.954418      4.964191      7.608901
  C      -2.480804      6.101570      6.750582
  N      -3.787158      5.730940      6.209671
  H      -1.161612      2.471876      3.907044
  H      -1.804772      1.426851      5.182470
  H      -0.997247      4.375879      5.356813
  H      -0.265414      3.013652      6.248724
  H      -2.565198      7.011961      7.372071
  H      -1.762014      6.345610      5.943777
  H      -2.517525      4.936018      8.551627
  H      -0.884102      5.086389      7.848347
  H      -3.802846      1.561350      9.045773
  H      -3.775392      3.317588      9.268038
  H      -2.107739      1.611449      7.340757
  H      -1.469713      2.639847      8.655734
  C      -3.603298      2.447847      3.145451
  C      -4.009980      0.963167      3.086502
  C      -5.446308      0.696609      3.608678
  C      -6.478269      0.868368      2.543437
  N      -7.187469      2.000888      2.490867
  C      -8.133795      2.244132      1.529018
  N      -8.424747      1.406837      0.577730
  C      -7.745668      0.216690      0.562085
  C      -8.044797     -0.719824     -0.451346
  C      -7.375999     -1.926984     -0.491667
  C      -6.391061     -2.243823      0.473400
  C      -6.077208     -1.349900      1.475137
  C      -6.744832     -0.101049      1.541384
  C      -4.572016      6.868146      5.725646
  C      -3.980970      7.618245      4.522593
  C      -3.785748      6.754994      3.279045
  C      -5.044752      6.338103      2.562643
  N      -6.213415      6.755986      3.027455
  C      -7.337438      6.305071      2.408296
  N      -7.417106      5.493313      1.373162
  C      -6.223365      5.087843      0.837635
  C      -6.226956      4.242435     -0.299300
  C      -5.034279      3.817922     -0.849766
  C      -3.799223      4.226164     -0.294980
  C      -3.769649      5.050336      0.812382
  C      -4.977065      5.493351      1.406338
  C      -5.855395      1.866677      7.545248
  C      -6.961335      2.577304      8.332579
  C      -8.306057      1.824108      8.270239
  C      -8.849873      1.695774      6.872758
  N      -8.701779      0.517458      6.270082
  C      -9.159868      0.404878      4.995589
  N      -9.729788      1.335780      4.255502
  C      -9.896071      2.556675      4.851020
  C     -10.492217      3.608002      4.113420
  C     -10.649480      4.851892      4.688412
  C     -10.233418      5.088179      6.019501
  C      -9.658336      4.078112      6.762707
  C      -9.467855      2.793062      6.195538
  H      -2.787536      2.607931      2.415306
  H      -4.440700      3.075421      2.808029
  H      -3.308501      0.367934      3.688768
  H      -3.918910      0.601964      2.050755
  H      -5.522315     -0.328299      3.996823
  H      -5.654944      1.373161      4.448498
  H      -8.623381      3.217501      1.594647
  H      -8.810982     -0.459193     -1.181700
  H      -7.610185     -2.650338     -1.273999
  H      -5.879570     -3.205530      0.423589
  H      -5.319139     -1.603268      2.215707
  H      -5.576078      6.511773      5.467563
  H      -4.687379      7.588651      6.558725
  H      -3.009313      8.056919      4.797213
  H      -4.653340      8.457923      4.291848
  H      -3.139150      7.281700      2.556825
  H      -3.233869      5.834943      3.547995
  H      -8.281878      6.651273      2.839531
  H      -7.187761      3.955571     -0.728987
  H      -5.041504      3.172639     -1.729867
  H      -2.866467      3.891138     -0.751120
  H      -2.814265      5.362212      1.235082
  H      -5.631041      0.888631      8.011167
  H      -6.233991      1.644260      6.536865
  H      -6.664696      2.684997      9.387547
  H      -7.071947      3.593347      7.923028
  H      -8.181128      0.807360      8.668865
  H      -9.036343      2.344280      8.908398
  H      -9.029246     -0.580575      4.535269
  H     -10.823409      3.400975      3.094648
  H     -11.107411      5.661475      4.117612
  H     -10.374077      6.076204      6.459839
  H      -9.346727      4.269600      7.789554
  N      -5.875412      3.916870      5.023737
  N      -6.894601      3.926884      4.460014
  H      -7.053696      2.755066      3.233093
98
Coordinates from ORCA-job orca E -6258.399461236530
  N      -3.171700      2.923961      4.458756
  Mo     -4.173046      3.830697      5.919291
  N      -4.621272      2.656841      7.438661
  C      -3.653767      2.526145      8.524537
  C      -2.261571      2.543800      7.906573
  N      -2.182882      3.662310      6.927874
  C      -1.205164      3.397413      5.838585
  C      -1.820110      2.465766      4.802916
  C      -1.934332      4.960044      7.614301
  C      -2.455526      6.099257      6.756416
  N      -3.765918      5.740081      6.216912
  H      -1.170000      2.466464      3.907691
  H      -1.823263      1.423358      5.179366
  H      -0.982151      4.362750      5.362731
  H      -0.265673      2.990680      6.251238
  H      -2.530910      7.011991      7.375865
  H      -1.738366      6.336702      5.946287
  H      -2.494420      4.937204      8.558824
  H      -0.862506      5.074230      7.850644
  H      -3.798605      1.570647      9.058727
  H      -3.763122      3.328028      9.278656
  H      -2.109057      1.608285      7.351385
  H      -1.462170      2.636200      8.662428
  C      -3.607518      2.479511      3.143775
  C      -4.028740      0.998243      3.075813
  C      -5.462066      0.742078      3.609900
  C      -6.496649      0.915148      2.549799
  N      -7.192864      2.054216      2.491467
  C      -8.139115      2.302171      1.530522
  N      -8.445481      1.459850      0.588898
  C      -7.781069      0.261585      0.580536
  C      -8.095328     -0.678961     -0.424575
  C      -7.439357     -1.892871     -0.459430
  C      -6.452214     -2.212955      0.502476
  C      -6.123064     -1.314863      1.495211
  C      -6.778015     -0.058894      1.556472
  C      -4.539564      6.881974      5.723777
  C      -3.937765      7.615901      4.514564
  C      -3.752942      6.740135      3.276998
  C      -5.014436      6.337039      2.556221
  N      -6.181136      6.759699      3.019827
  C      -7.305328      6.311861      2.399598
  N      -7.387601      5.499161      1.365580
  C      -6.195277      5.090689      0.829742
  C      -6.199876      4.245694     -0.307972
  C      -5.007133      3.821077     -0.859250
  C      -3.771656      4.228927     -0.305175
  C      -3.741358      5.054988      0.800842
  C      -4.948724      5.494737      1.397891
  C      -5.847374      1.876802      7.556897
  C      -6.961724      2.596147      8.324740
  C      -8.302609      1.831734      8.275491
  C      -8.838130      1.667703      6.878753
  N      -8.657693      0.483328      6.296362
  C      -9.101719      0.340944      5.020393
  N      -9.698549      1.242458      4.265512
  C      -9.903348      2.465997      4.841208
  C     -10.524053      3.487359      4.083116
  C     -10.721521      4.734305      4.637659
  C     -10.320824      5.003009      5.967797
  C      -9.719603      4.022330      6.729955
  C      -9.487476      2.735266      6.183635
  H      -2.789619      2.638095      2.415485
  H      -4.440329      3.116798      2.812412
  H      -3.329465      0.393074      3.670016
  H      -3.946086      0.640643      2.038572
  H      -5.543315     -0.279829      4.002601
  H      -5.661124      1.423470      4.448398
  H      -8.612753      3.282790      1.586245
  H      -8.861959     -0.415066     -1.153277
  H      -7.684860     -2.619331     -1.235766
  H      -5.950735     -3.180679      0.457271
  H      -5.363054     -1.570716      2.232664
  H      -5.547916      6.534766      5.469589
  H      -4.646267      7.609291      6.552234
  H      -2.960695      8.044038      4.786282
  H      -4.599746      8.462490      4.276815
  H      -3.093836      7.249203      2.553600
  H      -3.218582      5.811741      3.554298
  H      -8.249007      6.653720      2.834956
  H      -7.162261      3.955394     -0.734511
  H      -5.014408      3.175851     -1.739613
  H      -2.839063      3.897050     -0.764370
  H      -2.785399      5.370809      1.219633
  H      -5.626028      0.905841      8.038255
  H      -6.215093      1.639704      6.549090
  H      -6.668591      2.731705      9.377504
  H      -7.078584      3.601069      7.890796
  H      -8.167454      0.824768      8.695581
  H      -9.038509      2.355949      8.900734
  H      -8.943525     -0.647818      4.576637
  H     -10.840584      3.255362      3.065101
  H     -11.199288      5.521791      4.051406
  H     -10.493474      5.993316      6.392102
  H      -9.419799      4.238704      7.755346
  N      -5.869925      3.939588      5.042952
  N      -6.888811      3.955419      4.480387
  H      -7.050203      2.793238      3.240529
98
Coordinates from ORCA-job orca E -6258.399600567550
  N      -3.178346      2.926926      4.463475
  Mo     -4.170555      3.850078      5.919593
  N      -4.621857      2.683674      7.443706
  C      -3.652874      2.552012      8.528383
  C      -2.261555      2.557815      7.907607
  N      -2.178344      3.673208      6.925708
  C      -1.205425      3.399835      5.834298
  C      -1.827618      2.465052      4.805983
  C      -1.920286      4.970724      7.608552
  C      -2.435756      6.111175      6.748951
  N      -3.748266      5.757664      6.210797
  H      -1.180356      2.456863      3.908826
  H      -1.834582      1.425090      5.189055
  H      -0.981566      4.362248      5.352967
  H      -0.265570      2.991758      6.244847
  H      -2.506408      7.025266      7.366896
  H      -1.717492      6.343419      5.938341
  H      -2.478930      4.953212      8.554007
  H      -0.847375      5.078833      7.842872
  H      -3.803121      1.601016      9.068713
  H      -3.755331      3.359402      9.277325
  H      -2.116889      1.619571      7.355017
  H      -1.459833      2.647271      8.661337
  C      -3.622239      2.471088      3.154816
  C      -4.059912      0.993870      3.105862
  C      -5.501470      0.760803      3.628074
  C      -6.524378      0.948074      2.558901
  N      -7.199089      2.099852      2.490819
  C      -8.133940      2.360020      1.522521
  N      -8.451263      1.518464      0.583698
  C      -7.808718      0.308388      0.585107
  C      -8.134847     -0.631680     -0.416643
  C      -7.500480     -1.857272     -0.442015
  C      -6.524117     -2.189879      0.526647
  C      -6.184224     -1.292879      1.516763
  C      -6.816690     -0.025003      1.568095
  C      -4.512314      6.903705      5.712265
  C      -3.900391      7.629901      4.503712
  C      -3.714517      6.748192      3.270666
  C      -4.975328      6.350660      2.545811
  N      -6.140752      6.786487      3.000743
  C      -7.265628      6.350012      2.373765
  N      -7.349350      5.536830      1.340203
  C      -6.157837      5.112485      0.814916
  C      -6.164811      4.264111     -0.320127
  C      -4.973544      3.821879     -0.860390
  C      -3.737317      4.215085     -0.297392
  C      -3.704709      5.044468      0.806030
  C      -4.910820      5.502790      1.391577
  C      -5.840670      1.891990      7.555065
  C      -6.964421      2.595801      8.323078
  C      -8.290250      1.806144      8.278281
  C      -8.818748      1.621366      6.881426
  N      -8.600795      0.441192      6.303475
  C      -9.035214      0.281503      5.026235
  N      -9.656651      1.161481      4.266133
  C      -9.899131      2.380595      4.836997
  C     -10.546976      3.380515      4.073163
  C     -10.780582      4.624124      4.621532
  C     -10.391339      4.910135      5.951356
  C      -9.765167      3.949968      6.719526
  C      -9.495191      2.667665      6.179405
  H      -2.804027      2.611619      2.423268
  H      -4.447892      3.113863      2.816335
  H      -3.373845      0.390624      3.717252
  H      -3.971450      0.618911      2.075179
  H      -5.600888     -0.259051      4.022115
  H      -5.698175      1.446947      4.463143
  H      -8.590539      3.349179      1.571812
  H      -8.893008     -0.358010     -1.150581
  H      -7.754939     -2.583326     -1.215788
  H      -6.039728     -3.166521      0.488857
  H      -5.433010     -1.558502      2.259775
  H      -5.521840      6.562885      5.454044
  H      -4.617496      7.633840      6.538385
  H      -2.922220      8.053300      4.778905
  H      -4.555518      8.479781      4.259290
  H      -3.049166      7.250618      2.548322
  H      -3.186960      5.817901      3.554221
  H      -8.208599      6.704550      2.800757
  H      -7.127713      3.985971     -0.753141
  H      -4.982268      3.173732     -1.738564
  H      -2.805608      3.868216     -0.747150
  H      -2.747933      5.348090      1.231920
  H      -5.611859      0.920591      8.032129
  H      -6.204339      1.656399      6.545449
  H      -6.671481      2.738509      9.374952
  H      -7.099482      3.597503      7.887078
  H      -8.136792      0.805084      8.705935
  H      -9.037307      2.321111      8.898340
  H      -8.842547     -0.701964      4.584611
  H     -10.856682      3.134102      3.056429
  H     -11.278606      5.395060      4.030300
  H     -10.592508      5.897206      6.370456
  H      -9.474519      4.178376      7.744902
  N      -5.869116      3.966918      5.047004
  N      -6.890886      3.992015      4.489174
  H      -7.053682      2.838046      3.241176
98
Coordinates from ORCA-job orca E -6258.399751604687
  N      -3.185877      2.925883      4.468579
  Mo     -4.170102      3.868164      5.917655
  N      -4.624386      2.710864      7.447646
  C      -3.653113      2.578456      8.530608
  C      -2.262579      2.572868      7.906916
  N      -2.175544      3.685273      6.921890
  C      -1.207035      3.404306      5.828541
  C      -1.834898      2.463683      4.809294
  C      -1.909385      4.982769      7.600834
  C      -2.419951      6.124070      6.739290
  N      -3.733997      5.774189      6.202451
  H      -1.190971      2.446262      3.910083
  H      -1.843690      1.426987      5.200913
  H      -0.984869      4.363728      5.340545
  H      -0.265734      2.997276      6.236893
  H      -2.487370      7.039157      7.355993
  H      -1.700288      6.352044      5.928758
  H      -2.466909      4.969928      8.547013
  H      -0.835594      5.086021      7.833428
  H      -3.808412      1.632522      9.077814
  H      -3.748438      3.391687      9.273825
  H      -2.125538      1.632102      7.356822
  H      -1.458536      2.659709      8.658381
  C      -3.638483      2.454480      3.168055
  C      -4.091262      0.981554      3.141409
  C      -5.542447      0.771582      3.646488
  C      -6.550130      0.974995      2.565194
  N      -7.203142      2.139348      2.487919
  C      -8.123467      2.412973      1.510199
  N      -8.449123      1.574211      0.571480
  C      -7.828395      0.352898      0.581857
  C      -8.163624     -0.584733     -0.419143
  C      -7.551038     -1.821616     -0.435632
  C      -6.588531     -2.168230      0.541945
  C      -6.240846     -1.274346      1.532259
  C      -6.850448      0.004984      1.574100
  C      -4.489726      6.923739      5.699664
  C      -3.868953      7.643946      4.492621
  C      -3.679740      6.757274      3.264004
  C      -4.939199      6.362758      2.535473
  N      -6.103539      6.812173      2.980746
  C      -7.228830      6.388205      2.345888
  N      -7.313321      5.575346      1.312075
  C      -6.122611      5.133949      0.798981
  C      -6.132044      4.282514     -0.333458
  C      -4.942833      3.820428     -0.860946
  C      -3.706258      4.196397     -0.286913
  C      -3.671203      5.028569      0.814276
  C      -4.875523      5.508512      1.386023
  C      -5.835733      1.907873      7.553183
  C      -6.966450      2.595042      8.325229
  C      -8.276573      1.781172      8.284239
  C      -8.798955      1.579899      6.887298
  N      -8.544521      0.406658      6.310509
  C      -8.970430      0.233096      5.032131
  N      -9.615033      1.093348      4.269106
  C      -9.893075      2.306079      4.838326
  C     -10.566992      3.286571      4.071864
  C     -10.833601      4.525331      4.616899
  C     -10.454356      4.824915      5.946403
  C      -9.805032      3.882993      6.717853
  C      -9.500135      2.607165      6.180887
  H      -2.820452      2.575473      2.432947
  H      -4.457144      3.101103      2.820305
  H      -3.419881      0.383046      3.773627
  H      -3.994237      0.586765      2.118762
  H      -5.661184     -0.246663      4.040015
  H      -5.739428      1.461463      4.478282
  H      -8.564349      3.409820      1.555122
  H      -8.911216     -0.300294     -1.159801
  H      -7.812368     -2.545756     -1.208769
  H      -6.121388     -3.153305      0.511036
  H      -5.500970     -1.550891      2.282698
  H      -5.499686      6.588098      5.436430
  H      -4.594711      7.655987      6.523853
  H      -2.890683      8.064439      4.772000
  H      -4.518496      8.495935      4.241715
  H      -3.009721      7.255309      2.542886
  H      -3.156283      5.826708      3.553530
  H      -8.171012      6.757510      2.762637
  H      -7.094932      4.019382     -0.774828
  H      -4.953156      3.169503     -1.736970
  H      -2.775866      3.831950     -0.725203
  H      -2.713956      5.317043      1.249486
  H      -5.598877      0.934923      8.023327
  H      -6.198347      1.676343      6.542023
  H      -6.672200      2.741184      9.376267
  H      -7.119375      3.594767      7.890650
  H      -8.105798      0.785177      8.716781
  H      -9.034059      2.286144      8.900961
  H      -8.743378     -0.742483      4.589633
  H     -10.872120      3.028206      3.056706
  H     -11.350720      5.281149      4.022888
  H     -10.681580      5.807469      6.362455
  H      -9.522437      4.120183      7.743420
  N      -5.870555      3.990481      5.048530
  N      -6.895990      4.023912      4.496517
  H      -7.059408      2.878527      3.241063
98
Coordinates from ORCA-job orca E -6258.399796785339
  N      -3.176614      2.927118      4.464316
  Mo     -4.156553      3.879866      5.909458
  N      -4.623361      2.723093      7.435338
  C      -3.655961      2.582388      8.521251
  C      -2.262601      2.569179      7.901896
  N      -2.165329      3.682276      6.918616
  C      -1.196417      3.397435      5.826338
  C      -1.827235      2.460431      4.805398
  C      -1.891646      4.976824      7.599696
  C      -2.392584      6.123261      6.739220
  N      -3.708237      5.782084      6.201705
  H      -1.182931      2.440538      3.906786
  H      -1.840376      1.423833      5.196953
  H      -0.969081      4.356299      5.339724
  H      -0.257629      2.985188      6.235221
  H      -2.455121      7.037407      7.357721
  H      -1.669799      6.347741      5.930494
  H      -2.450958      4.966233      8.544910
  H      -0.817579      5.072506      7.834358
  H      -3.818795      1.636656      9.066179
  H      -3.748685      3.394654      9.265667
  H      -2.129852      1.628586      7.350556
  H      -1.460194      2.649754      8.655634
  C      -3.636429      2.447462      3.168737
  C      -4.095694      0.976331      3.154924
  C      -5.545836      0.774187      3.667939
  C      -6.563084      0.972741      2.593219
  N      -7.216699      2.137219      2.513845
  C      -8.150042      2.403220      1.545685
  N      -8.481299      1.559243      0.613428
  C      -7.859130      0.338437      0.625147
  C      -8.204060     -0.606148     -0.365940
  C      -7.591653     -1.843360     -0.379793
  C      -6.619574     -2.183041      0.590590
  C      -6.262711     -1.282403      1.571663
  C      -6.872554     -0.003200      1.610922
  C      -4.458551      6.938017      5.706976
  C      -3.838135      7.665845      4.505000
  C      -3.654594      6.790706      3.268566
  C      -4.919119      6.402521      2.547055
  N      -6.078808      6.853622      3.002770
  C      -7.210457      6.431493      2.377886
  N      -7.305422      5.617054      1.345790
  C      -6.119718      5.172508      0.823238
  C      -6.140017      4.316557     -0.305824
  C      -4.956264      3.851174     -0.842242
  C      -3.714385      4.228201     -0.280752
  C      -3.668783      5.061972      0.818683
  C      -4.866955      5.546599      1.398588
  C      -5.834749      1.917841      7.528911
  C      -6.978144      2.602170      8.284926
  C      -8.279403      1.773560      8.245482
  C      -8.796032      1.557301      6.848876
  N      -8.527576      0.384465      6.277110
  C      -8.950603      0.200546      4.998939
  N      -9.596559      1.053636      4.228733
  C      -9.888545      2.265884      4.792502
  C     -10.574483      3.236082      4.022786
  C     -10.858604      4.472536      4.564483
  C     -10.482418      4.781470      5.892581
  C      -9.821650      3.850367      6.667171
  C      -9.504143      2.575025      6.135921
  H      -2.820452      2.558298      2.429997
  H      -4.452585      3.095010      2.817688
  H      -3.422621      0.379378      3.787194
  H      -4.006667      0.574887      2.133844
  H      -5.664439     -0.241709      4.068523
  H      -5.736011      1.468541      4.497167
  H      -8.588688      3.402300      1.586082
  H      -8.958971     -0.326946     -1.101164
  H      -7.860436     -2.572699     -1.145235
  H      -6.152436     -3.167852      0.561568
  H      -5.515141     -1.553369      2.316668
  H      -5.470300      6.608283      5.442176
  H      -4.559451      7.665289      6.535796
  H      -2.858411      8.082536      4.785142
  H      -4.487052      8.520632      4.263086
  H      -2.989761      7.295690      2.547485
  H      -3.128960      5.858499      3.547299
  H      -8.147852      6.806147      2.800407
  H      -7.106212      4.054781     -0.738827
  H      -4.975131      3.197789     -1.716152
  H      -2.788292      3.860073     -0.724803
  H      -2.707501      5.348915      1.245791
  H      -5.600607      0.947031      8.005050
  H      -6.183947      1.679761      6.513953
  H      -6.692436      2.761734      9.336285
  H      -7.141230      3.595665      7.838913
  H      -8.098810      0.783021      8.686583
  H      -9.043825      2.276290      8.856025
  H      -8.712427     -0.774284      4.559679
  H     -10.873367      2.971802      3.007190
  H     -11.384743      5.219691      3.968092
  H     -10.721478      5.762433      6.305243
  H      -9.541576      4.095447      7.691838
  N      -5.853654      4.015717      5.035816
  N      -6.878060      4.057334      4.482372
  H      -7.050831      2.891303      3.244914
98
Coordinates from ORCA-job orca E -6258.399835890933
  N      -3.178397      2.928578      4.467271
  Mo     -4.158156      3.876538      5.915763
  N      -4.619215      2.718349      7.442989
  C      -3.649876      2.580050      8.527254
  C      -2.258065      2.570126      7.905221
  N      -2.165297      3.683031      6.921427
  C      -1.197551      3.399457      5.827928
  C      -1.828543      2.462582      4.806999
  C      -1.893582      4.978544      7.601640
  C      -2.398055      6.123431      6.741227
  N      -3.713548      5.780241      6.204758
  H      -1.184989      2.444818      3.907699
  H      -1.840046      1.425389      5.197190
  H      -0.971137      4.358675      5.341525
  H      -0.258092      2.987719      6.235762
  H      -2.461613      7.037901      7.359292
  H      -1.676497      6.348826      5.931612
  H      -2.451498      4.967196      8.547672
  H      -0.819416      5.076603      7.834815
  H      -3.809124      1.633403      9.071825
  H      -3.743356      3.391506      9.272576
  H      -2.124191      1.629660      7.353814
  H      -1.454221      2.652878      8.657225
  C      -3.635421      2.455809      3.168390
  C      -4.090605      0.983449      3.142774
  C      -5.538923      0.773497      3.656924
  C      -6.558375      0.974932      2.585339
  N      -7.214918      2.137875      2.514758
  C      -8.150392      2.408529      1.550197
  N      -8.482741      1.569296      0.614272
  C      -7.856744      0.350376      0.615976
  C      -8.201414     -0.588321     -0.380740
  C      -7.585107     -1.823387     -0.404871
  C      -6.609106     -2.166687      0.560316
  C      -6.252369     -1.271760      1.546613
  C      -6.866437      0.005045      1.596594
  C      -4.463715      6.933762      5.703640
  C      -3.840839      7.655814      4.499063
  C      -3.655077      6.775270      3.266474
  C      -4.917653      6.383407      2.543423
  N      -6.079130      6.832552      2.996449
  C      -7.208661      6.405884      2.370996
  N      -7.300226      5.589565      1.340237
  C      -6.112668      5.149547      0.818372
  C      -6.129104      4.294471     -0.311355
  C      -4.943251      3.834537     -0.848030
  C      -3.702994      4.216053     -0.285824
  C      -3.661103      5.049235      0.814302
  C      -4.861612      5.528146      1.394539
  C      -5.833783      1.918115      7.543249
  C      -6.976411      2.613439      8.289803
  C      -8.280309      1.787977      8.257392
  C      -8.798399      1.569222      6.861767
  N      -8.530872      0.394958      6.292442
  C      -8.957704      0.207030      5.016243
  N      -9.609067      1.056370      4.246515
  C      -9.901682      2.269366      4.808006
  C     -10.594126      3.235016      4.038414
  C     -10.879851      4.472029      4.577881
  C     -10.497938      4.786131      5.903302
  C      -9.830565      3.859483      6.677722
  C      -9.511597      2.583568      6.148876
  H      -2.818919      2.573680      2.431175
  H      -4.452875      3.103654      2.820901
  H      -3.414930      0.382461      3.768287
  H      -4.002277      0.591247      2.118155
  H      -5.654323     -0.244598      4.052621
  H      -5.729646      1.463150      4.489901
  H      -8.594676      3.404147      1.601216
  H      -8.959231     -0.306438     -1.111926
  H      -7.853788     -2.548314     -1.174592
  H      -6.138924     -3.149852      0.523109
  H      -5.501794     -1.545403      2.287561
  H      -5.475160      6.602843      5.439564
  H      -4.565573      7.665091      6.528878
  H      -2.861550      8.073571      4.779024
  H      -4.489143      8.509829      4.252244
  H      -2.988658      7.277024      2.544574
  H      -3.129541      5.844416      3.550324
  H      -8.147559      6.777984      2.792254
  H      -7.094446      4.028882     -0.744712
  H      -4.959235      3.181933     -1.722618
  H      -2.775254      3.852719     -0.730433
  H      -2.700965      5.340228      1.241490
  H      -5.603084      0.951854      8.030019
  H      -6.181686      1.669824      6.530378
  H      -6.691657      2.784691      9.339548
  H      -7.137207      3.601793      7.831818
  H      -8.101468      0.798716      8.702132
  H      -9.041826      2.295260      8.867383
  H      -8.720296     -0.768686      4.578825
  H     -10.896623      2.966851      3.024947
  H     -11.412253      5.215447      3.982201
  H     -10.738220      5.767599      6.314236
  H      -9.546317      4.109276      7.700085
  N      -5.858657      4.009065      5.048327
  N      -6.885416      4.045029      4.498928
  H      -7.056249      2.888539      3.253894
98
Coordinates from ORCA-job orca E -6258.399845662778
  N      -3.182775      2.930151      4.467889
  Mo     -4.161055      3.879975      5.916072
  N      -4.620787      2.722639      7.444539
  C      -3.650191      2.585186      8.527861
  C      -2.258921      2.573853      7.904435
  N      -2.166975      3.686126      6.919954
  C      -1.200470      3.401616      5.825688
  C      -1.832849      2.463837      4.806606
  C      -1.894352      4.981902      7.599116
  C      -2.398743      6.126546      6.738260
  N      -3.714832      5.783713      6.202891
  H      -1.190282      2.444833      3.906657
  H      -1.844466      1.427115      5.197953
  H      -0.974653      4.360364      5.338064
  H      -0.260517      2.990138      6.232677
  H      -2.461124      7.041473      7.355772
  H      -1.677508      6.350920      5.928000
  H      -2.451754      4.971105      8.545447
  H      -0.820001      5.079792      7.831537
  H      -3.809352      1.639531      9.074066
  H      -3.742287      3.397790      9.272006
  H      -2.126160      1.632895      7.353625
  H      -1.454200      2.656854      8.655446
  C      -3.640596      2.457649      3.169477
  C      -4.096476      0.985994      3.143814
  C      -5.545191      0.777988      3.657005
  C      -6.562972      0.981836      2.584291
  N      -7.218630      2.145360      2.514586
  C      -8.151622      2.417789      1.548367
  N      -8.484183      1.579688      0.611427
  C      -7.860221      0.359858      0.613340
  C      -8.205528     -0.578073     -0.383857
  C      -7.591239     -1.814184     -0.407596
  C      -6.616679     -2.159195      0.558431
  C      -6.259487     -1.264997      1.545278
  C      -6.871267      0.012884      1.594626
  C      -4.462922      6.937477      5.699357
  C      -3.837638      7.657385      4.494886
  C      -3.648276      6.773973      3.264787
  C      -4.909022      6.381109      2.538669
  N      -6.071264      6.835034      2.985315
  C      -7.199548      6.409769      2.356574
  N      -7.289102      5.589541      1.328747
  C      -6.100667      5.144764      0.812888
  C      -6.115074      4.285386     -0.313507
  C      -4.928369      3.821996     -0.845112
  C      -3.689186      4.203351     -0.280419
  C      -3.649287      5.039744      0.817327
  C      -4.850679      5.522919      1.391954
  C      -5.832959      1.919031      7.544551
  C      -6.977227      2.609509      8.292847
  C      -8.277144      1.778130      8.259806
  C      -8.794972      1.561369      6.863949
  N      -8.519466      0.391597      6.289548
  C      -8.944509      0.206573      5.012411
  N      -9.602190      1.054447      4.246539
  C      -9.902694      2.263089      4.813142
  C     -10.600526      3.227790      4.047165
  C     -10.892657      4.461390      4.591155
  C     -10.512262      4.772532      5.917656
  C      -9.839555      3.846780      6.688489
  C      -9.513300      2.574754      6.154783
  H      -2.824448      2.574876      2.431809
  H      -4.457846      3.106070      2.822484
  H      -3.421623      0.384369      3.769719
  H      -4.008153      0.593829      2.119132
  H      -5.662564     -0.240006      4.052720
  H      -5.735471      1.468254      4.489632
  H      -8.595150      3.413399      1.600249
  H      -8.962309     -0.294920     -1.115629
  H      -7.860593     -2.538682     -1.177452
  H      -6.148110     -3.143113      0.521488
  H      -5.510226     -1.539911      2.287136
  H      -5.474162      6.607536      5.434325
  H      -4.565075      7.669967      6.523618
  H      -2.859441      8.076486      4.776516
  H      -4.485910      8.510402      4.244652
  H      -2.979000      7.273799      2.544162
  H      -3.124493      5.843184      3.552294
  H      -8.139161      6.787418      2.771662
  H      -7.079351      4.019860     -0.749171
  H      -4.942828      3.166233     -1.717329
  H      -2.760743      3.836784     -0.720840
  H      -2.690159      5.329363      1.247261
  H      -5.598800      0.952740      8.029647
  H      -6.181141      1.670846      6.531561
  H      -6.692302      2.780730      9.342549
  H      -7.143267      3.597428      7.836020
  H      -8.093073      0.788587      8.701594
  H      -9.040568      2.280378      8.871905
  H      -8.697925     -0.764102      4.569596
  H     -10.902426      2.961214      3.033125
  H     -11.429990      5.203820      3.998795
  H     -10.757881      5.751104      6.332274
  H      -9.556069      4.094897      7.711432
  N      -5.862004      4.013642      5.049719
  N      -6.889714      4.050145      4.501565
  H      -7.063966      2.891592      3.258166
98
Coordinates from ORCA-job orca E -6258.399853558037
  N      -3.186208      2.931563      4.467393
  Mo     -4.162056      3.884334      5.915160
  N      -4.621861      2.728361      7.444878
  C      -3.650971      2.592355      8.528138
  C      -2.259964      2.577730      7.904073
  N      -2.167189      3.688232      6.917756
  C      -1.202049      3.400653      5.823163
  C      -1.837025      2.462844      4.805804
  C      -1.892025      4.984581      7.594852
  C      -2.395049      6.128745      6.732660
  N      -3.712401      5.787769      6.199203
  H      -1.195178      2.441475      3.905379
  H      -1.850390      1.426614      5.198346
  H      -0.974816      4.358324      5.334095
  H      -0.262521      2.987963      6.229929
  H      -2.454567      7.044916      7.348609
  H      -1.674337      6.350203      5.921111
  H      -2.448821      4.975967      8.541540
  H      -0.817347      5.081104      7.826376
  H      -3.811111      1.648326      9.076826
  H      -3.741556      3.406989      9.270190
  H      -2.128848      1.635561      7.354949
  H      -1.454694      2.660947      8.654486
  C      -3.644913      2.459532      3.169139
  C      -4.101242      0.988208      3.142649
  C      -5.549217      0.780472      3.657712
  C      -6.568380      0.985250      2.586483
  N      -7.225431      2.148121      2.519773
  C      -8.160137      2.421068      1.555410
  N      -8.492811      1.584396      0.617253
  C      -7.867656      0.365151      0.616289
  C      -8.213731     -0.571647     -0.381687
  C      -7.598609     -1.807312     -0.407900
  C      -6.622361     -2.152893      0.556217
  C      -6.264346     -1.259703      1.543708
  C      -6.877036      0.017614      1.595600
  C      -4.459086      6.942331      5.695548
  C      -3.832291      7.663043      4.492257
  C      -3.638528      6.779588      3.262850
  C      -4.897176      6.385173      2.533823
  N      -6.060620      6.839937      2.976473
  C      -7.187291      6.412410      2.346455
  N      -7.274311      5.586628      1.322887
  C      -6.084660      5.140061      0.811456
  C      -6.096162      4.274364     -0.310084
  C      -4.907877      3.811633     -0.838751
  C      -3.669970      4.199425     -0.275636
  C      -3.632910      5.041028      0.818228
  C      -4.835899      5.523588      1.389828
  C      -5.831386      1.920708      7.543296
  C      -6.979083      2.606892      8.290049
  C      -8.275065      1.768894      8.257727
  C      -8.794583      1.553211      6.862441
  N      -8.514781      0.386450      6.284037
  C      -8.941224      0.203433      5.007121
  N      -9.605534      1.049962      4.245528
  C      -9.910783      2.255363      4.816269
  C     -10.616089      3.218299      4.054878
  C     -10.914025      4.448519      4.603318
  C     -10.531636      4.757805      5.929674
  C      -9.851303      3.833853      6.695952
  C      -9.519333      2.565190      6.157790
  H      -2.829114      2.576552      2.431124
  H      -4.462049      3.108580      2.822971
  H      -3.425644      0.385520      3.766748
  H      -4.014558      0.597313      2.117347
  H      -5.666694     -0.237393      4.053717
  H      -5.737836      1.470954      4.490591
  H      -8.604942      3.415836      1.609887
  H      -8.971797     -0.288111     -1.111981
  H      -7.868671     -2.531060     -1.178215
  H      -6.153158     -3.136440      0.517258
  H      -5.513808     -1.534952      2.284155
  H      -5.470378      6.613353      5.429696
  H      -4.561340      7.674353      6.520266
  H      -2.855718      8.084419      4.775997
  H      -4.482109      8.514417      4.240485
  H      -2.967380      7.279641      2.544156
  H      -3.115378      5.848896      3.551868
  H      -8.127884      6.792568      2.757010
  H      -7.059335      4.003816     -0.745178
  H      -4.920140      3.151312     -1.707559
  H      -2.740327      3.833534     -0.714083
  H      -2.674810      5.334862      1.247525
  H      -5.594198      0.955244      8.028623
  H      -6.177455      1.670785      6.529945
  H      -6.695179      2.781178      9.339517
  H      -7.150896      3.592969      7.831530
  H      -8.084734      0.779429      8.696988
  H      -9.039545      2.266011      8.872612
  H      -8.691347     -0.764682      4.560668
  H     -10.918690      2.952850      3.040751
  H     -11.457623      5.189575      4.015000
  H     -10.781909      5.733651      6.347942
  H      -9.566446      4.081352      7.718662
  N      -5.863563      4.020081      5.050454
  N      -6.892234      4.056296      4.504014
  H      -7.069430      2.894300      3.264174
98
Coordinates from ORCA-job orca E -6258.399871240294
  N      -3.201767      2.936625      4.462408
  Mo     -4.170874      3.895496      5.910245
  N      -4.626684      2.742460      7.443977
  C      -3.652077      2.608907      8.524302
  C      -2.263110      2.588691      7.895513
  N      -2.171866      3.696812      6.906455
  C      -1.211323      3.405506      5.808966
  C      -1.851988      2.466353      4.796592
  C      -1.892150      4.994087      7.579971
  C      -2.394927      6.137276      6.716548
  N      -3.714831      5.798603      6.187993
  H      -1.213904      2.441423      3.893609
  H      -1.865739      1.431224      5.191808
  H      -0.984730      4.361657      5.316673
  H      -0.270719      2.992341      6.212805
  H      -2.449431      7.055377      7.330053
  H      -1.676347      6.354335      5.901913
  H      -2.446401      4.988447      8.528115
  H      -0.816621      5.089043      7.808285
  H      -3.812765      1.668318      9.078522
  H      -3.737676      3.427736      9.262168
  H      -2.136281      1.644748      7.348459
  H      -1.454957      2.671957      8.642848
  C      -3.664650      2.466144      3.164981
  C      -4.119537      0.994723      3.136196
  C      -5.565601      0.784609      3.655605
  C      -6.588601      0.993835      2.588748
  N      -7.250383      2.154718      2.532891
  C      -8.189081      2.431085      1.573466
  N      -8.520988      1.600549      0.629665
  C      -7.891574      0.383444      0.617976
  C      -8.237854     -0.547578     -0.385300
  C      -7.619440     -1.781400     -0.421347
  C      -6.639532     -2.130671      0.537707
  C      -6.281001     -1.242956      1.530002
  C      -6.896960      0.032307      1.591854
  C      -4.458918      6.954259      5.683547
  C      -3.825264      7.678859      4.486118
  C      -3.611591      6.795833      3.259882
  C      -4.860152      6.389195      2.520470
  N      -6.030503      6.839739      2.949034
  C      -7.148601      6.400454      2.312043
  N      -7.221196      5.560549      1.298951
  C      -6.024396      5.114881      0.803850
  C      -6.020545      4.232084     -0.304161
  C      -4.824357      3.775939     -0.820646
  C      -3.593675      4.186527     -0.257844
  C      -3.571610      5.042109      0.825543
  C      -4.782907      5.518018      1.384845
  C      -5.829710      1.925458      7.542462
  C      -6.981447      2.600541      8.292407
  C      -8.267695      1.746880      8.265530
  C      -8.794397      1.533575      6.872787
  N      -8.504901      0.373832      6.285137
  C      -8.937560      0.193817      5.009991
  N      -9.617107      1.036976      4.258236
  C      -9.932694      2.235194      4.838519
  C     -10.656671      3.193162      4.088407
  C     -10.966632      4.416010      4.646630
  C     -10.577246      4.722385      5.971610
  C      -9.878896      3.803023      6.727115
  C      -9.535182      2.541696      6.179109
  H      -2.851409      2.585056      2.424612
  H      -4.483319      3.115429      2.822684
  H      -3.441040      0.390503      3.755701
  H      -4.036213      0.607600      2.109186
  H      -5.681959     -0.234486      4.048934
  H      -5.751122      1.472663      4.491300
  H      -8.636409      3.424112      1.635846
  H      -8.998902     -0.261480     -1.111475
  H      -7.889928     -2.500948     -1.195425
  H      -6.167941     -3.112703      0.490949
  H      -5.527849     -1.520897      2.266777
  H      -5.468769      6.625706      5.411355
  H      -4.565950      7.684260      6.509504
  H      -2.855423      8.108963      4.779547
  H      -4.480163      8.524072      4.227228
  H      -2.937368      7.300459      2.547356
  H      -3.084502      5.869462      3.555122
  H      -8.094891      6.783829      2.706132
  H      -6.978062      3.944376     -0.740594
  H      -4.824855      3.103319     -1.680071
  H      -2.657816      3.825862     -0.687275
  H      -2.618959      5.351512      1.256167
  H      -5.584248      0.960703      8.025213
  H      -6.175945      1.674390      6.529340
  H      -6.695542      2.779676      9.340481
  H      -7.167611      3.583351      7.832674
  H      -8.061575      0.757469      8.697737
  H      -9.033162      2.231476      8.889185
  H      -8.677213     -0.767263      4.554237
  H     -10.963480      2.929218      3.075123
  H     -11.524922      5.153410      4.067641
  H     -10.836915      5.692345      6.397721
  H      -9.589698      4.049313      7.748881
  N      -5.875609      4.033099      5.052198
  N      -6.907728      4.067359      4.511885
  H      -7.092061      2.900169      3.277520
98
Coordinates from ORCA-job orca E -6258.399882222659
  N      -3.208862      2.940925      4.453986
  Mo     -4.175445      3.897248      5.905038
  N      -4.627550      2.742222      7.438491
  C      -3.650962      2.608821      8.516992
  C      -2.263246      2.589290      7.885526
  N      -2.174165      3.698038      6.897016
  C      -1.215710      3.407794      5.797469
  C      -1.858512      2.469973      4.785152
  C      -1.893363      4.994897      7.571080
  C      -2.398491      6.138525      6.709799
  N      -3.719585      5.800181      6.184076
  H      -1.222195      2.445820      3.880880
  H      -1.871767      1.434398      5.179207
  H      -0.989671      4.364398      5.305808
  H      -0.274510      2.994025      6.199270
  H      -2.451389      7.056311      7.323912
  H      -1.682216      6.356163      5.893281
  H      -2.445474      4.988402      8.520443
  H      -0.817357      5.089966      7.797092
  H      -3.810378      1.668061      9.071286
  H      -3.735398      3.427555      9.255117
  H      -2.137150      1.645728      7.337627
  H      -1.453743      2.672215      8.631480
  C      -3.674392      2.470934      3.157246
  C      -4.129027      0.999348      3.129677
  C      -5.573129      0.790136      3.654930
  C      -6.599488      0.995237      2.590591
  N      -7.261599      2.155747      2.532159
  C      -8.202461      2.428822      1.573673
  N      -8.535252      1.595413      0.632774
  C      -7.905477      0.378409      0.623799
  C      -8.252746     -0.555574     -0.376377
  C      -7.633958     -1.789263     -0.409692
  C      -6.652614     -2.135452      0.549001
  C      -6.292890     -1.244692      1.538113
  C      -6.909399      0.030460      1.597291
  C      -4.466276      6.956244      5.684659
  C      -3.832523      7.689517      4.492413
  C      -3.605853      6.812023      3.264650
  C      -4.847728      6.393147      2.521034
  N      -6.024002      6.830858      2.946340
  C      -7.135322      6.378580      2.306713
  N      -7.195919      5.534907      1.295942
  C      -5.993001      5.101683      0.804650
  C      -5.976084      4.214903     -0.300110
  C      -4.773191      3.773964     -0.814423
  C      -3.548746      4.203622     -0.252317
  C      -3.539411      5.062043      0.829002
  C      -4.757634      5.522301      1.386201
  C      -5.828613      1.922357      7.537787
  C      -6.980474      2.594010      8.290831
  C      -8.265599      1.738195      8.264460
  C      -8.796031      1.528775      6.872628
  N      -8.507949      0.370831      6.280598
  C      -8.943675      0.195009      5.005928
  N      -9.624789      1.040818      4.258494
  C      -9.939753      2.236804      4.843669
  C     -10.666080      3.196923      4.098643
  C     -10.976470      4.417104      4.662277
  C     -10.584579      4.718793      5.987640
  C      -9.883390      3.797441      6.738076
  C      -9.539628      2.538537      6.184543
  H      -2.862834      2.590565      2.415232
  H      -4.494470      3.119774      2.817217
  H      -3.448125      0.394895      3.746247
  H      -4.049558      0.612551      2.102278
  H      -5.688047     -0.227589      4.052038
  H      -5.755888      1.480885      4.488999
  H      -8.648816      3.422365      1.632280
  H      -9.014763     -0.271761     -1.102433
  H      -7.905164     -2.511064     -1.181445
  H      -6.180789     -3.117501      0.504489
  H      -5.538533     -1.520237      2.274533
  H      -5.474689      6.625912      5.409116
  H      -4.577088      7.681532      6.514268
  H      -2.867547      8.126495      4.791632
  H      -4.493354      8.530025      4.233183
  H      -2.934953      7.325540      2.555357
  H      -3.070022      5.890558      3.559197
  H      -8.086801      6.751886      2.697771
  H      -6.929173      3.912308     -0.736316
  H      -4.763661      3.098793     -1.671811
  H      -2.607636      3.855250     -0.680445
  H      -2.591475      5.385889      1.259423
  H      -5.580547      0.957356      8.018678
  H      -6.176020      1.672179      6.524924
  H      -6.693301      2.772012      9.338745
  H      -7.169007      3.577230      7.832883
  H      -8.056164      0.747604      8.692476
  H      -9.030046      2.218906      8.892093
  H      -8.685466     -0.765228      4.546913
  H     -10.973789      2.936801      3.084631
  H     -11.536615      5.156285      4.087306
  H     -10.844535      5.686766      6.418108
  H      -9.592476      4.040296      7.760200
  N      -5.882453      4.034239      5.051384
  N      -6.916091      4.066170      4.514084
  H      -7.102594      2.901054      3.276867
98
Coordinates from ORCA-job orca E -6258.399909863130
  N      -3.228971      2.947567      4.432329
  Mo     -4.187428      3.901243      5.890251
  N      -4.629443      2.743734      7.424977
  C      -3.645781      2.609527      8.496949
  C      -2.262192      2.590440      7.856545
  N      -2.179236      3.701146      6.869726
  C      -1.227366      3.413632      5.763874
  C      -1.876013      2.477278      4.753871
  C      -1.894816      4.996637      7.545095
  C      -2.406838      6.141937      6.690317
  N      -3.730925      5.803675      6.172310
  H      -1.245754      2.454764      3.845337
  H      -1.886198      1.441089      5.146415
  H      -1.004855      4.371259      5.272614
  H      -0.283475      2.999713      6.159129
  H      -2.456321      7.058170      7.306990
  H      -1.696564      6.362317      5.869283
  H      -2.440481      4.987488      8.498110
  H      -0.817384      5.091947      7.764149
  H      -3.802058      1.668875      9.052206
  H      -3.725000      3.428438      9.235477
  H      -2.139864      1.647966      7.305925
  H      -1.448042      2.671553      8.597683
  C      -3.703603      2.475000      3.139454
  C      -4.157376      1.002901      3.118329
  C      -5.598304      0.795259      3.653102
  C      -6.629951      0.995514      2.593055
  N      -7.292907      2.155490      2.532830
  C      -8.236065      2.425413      1.575413
  N      -8.569445      1.589501      0.636986
  C      -7.938978      0.372689      0.630189
  C      -8.286931     -0.563869     -0.367312
  C      -7.667546     -1.797311     -0.398367
  C      -6.684880     -2.140671      0.559961
  C      -6.324204     -1.247222      1.546282
  C      -6.941483      0.027699      1.603240
  C      -4.485183      6.960848      5.687532
  C      -3.852500      7.718438      4.509672
  C      -3.591028      6.857208      3.277610
  C      -4.814516      6.403906      2.524270
  N      -6.005647      6.809753      2.939396
  C      -7.098785      6.325429      2.292238
  N      -7.127866      5.473816      1.286736
  C      -5.909658      5.070907      0.807501
  C      -5.859248      4.174842     -0.288675
  C      -4.640323      3.769177     -0.794483
  C      -3.432921      4.243403     -0.231339
  C      -3.456061      5.108656      0.844310
  C      -4.691043      5.532923      1.392930
  C      -5.827824      1.920685      7.530700
  C      -6.976299      2.589542      8.291596
  C      -8.259542      1.730348      8.273648
  C      -8.799861      1.520719      6.885758
  N      -8.513086      0.363899      6.290704
  C      -8.955963      0.188763      5.018440
  N      -9.642913      1.034285      4.275971
  C      -9.957894      2.228502      4.864987
  C     -10.691441      3.187628      4.125892
  C     -11.003143      4.405440      4.693821
  C     -10.604707      4.706003      6.017537
  C      -9.895858      3.785730      6.762082
  C      -9.551099      2.529062      6.204052
  H      -2.897315      2.594285      2.391894
  H      -4.527076      3.122123      2.803942
  H      -3.472196      0.399845      3.731414
  H      -4.084437      0.614255      2.091197
  H      -5.711037     -0.220782      4.055025
  H      -5.776728      1.489353      4.485229
  H      -8.681680      3.419089      1.630553
  H      -9.049888     -0.282193     -1.093212
  H      -7.939225     -2.521055     -1.168155
  H      -6.212718     -3.122661      0.517405
  H      -5.568777     -1.520580      2.282388
  H      -5.489344      6.625618      5.402421
  H      -4.606440      7.672776      6.527234
  H      -2.900917      8.173416      4.824503
  H      -4.528747      8.546484      4.250089
  H      -2.932004      7.396187      2.576081
  H      -3.028894      5.951158      3.569880
  H      -8.063160      6.674687      2.673627
  H      -6.800320      3.837831     -0.726011
  H      -4.605108      3.087624     -1.646144
  H      -2.479169      3.922985     -0.653290
  H      -2.520855      5.465791      1.276482
  H      -5.575489      0.955584      8.009079
  H      -6.181363      1.671216      6.519928
  H      -6.682941      2.768483      9.337626
  H      -7.169582      3.572228      7.834439
  H      -8.043921      0.739692      8.698594
  H      -9.020505      2.207910      8.907615
  H      -8.700128     -0.771349      4.557481
  H     -11.003445      2.928456      3.112931
  H     -11.568964      5.143918      4.123468
  H     -10.865692      5.672164      6.451443
  H      -9.600397      4.027482      7.783169
  N      -5.901580      4.034642      5.049741
  N      -6.940500      4.060073      4.522610
  H      -7.133151      2.901181      3.277356
98
Coordinates from ORCA-job orca E -6258.399927159577
  N      -3.228815      2.945370      4.411479
  Mo     -4.185938      3.889542      5.876979
  N      -4.623929      2.726672      7.408200
  C      -3.636814      2.586788      8.476185
  C      -2.255346      2.572961      7.831500
  N      -2.175401      3.689298      6.850632
  C      -1.225142      3.408810      5.741536
  C      -1.873944      2.476853      4.727337
  C      -1.891018      4.981384      7.532606
  C      -2.410448      6.131024      6.687920
  N      -3.735061      5.790970      6.172555
  H      -1.245764      2.460666      3.817248
  H      -1.881023      1.438440      5.114307
  H      -1.004567      4.369431      5.255262
  H      -0.280096      2.994142      6.133155
  H      -2.461714      7.042252      7.311773
  H      -1.704192      6.360696      5.865957
  H      -2.432302      4.965346      8.488043
  H      -0.812877      5.077778      7.747568
  H      -3.790518      1.642447      9.025922
  H      -3.714638      3.401044      9.220215
  H      -2.133683      1.634074      7.274635
  H      -1.439440      2.650164      8.571116
  C      -3.708786      2.467302      3.122194
  C      -4.161824      0.994472      3.111173
  C      -5.600998      0.789401      3.652047
  C      -6.635085      0.979723      2.592699
  N      -7.295757      2.140366      2.520673
  C      -8.237909      2.402828      1.559847
  N      -8.571760      1.558484      0.629108
  C      -7.943013      0.340736      0.634258
  C      -8.289975     -0.603828     -0.356016
  C      -7.671747     -1.838040     -0.375723
  C      -6.691295     -2.174375      0.587325
  C      -6.331451     -1.273047      1.566667
  C      -6.947698      0.002912      1.612135
  C      -4.503278      6.948722      5.711623
  C      -3.885005      7.734635      4.544525
  C      -3.610470      6.896221      3.299679
  C      -4.827105      6.415564      2.552201
  N      -6.025271      6.791311      2.975242
  C      -7.110036      6.286306      2.329855
  N      -7.124252      5.444461      1.315747
  C      -5.899286      5.072824      0.828589
  C      -5.833336      4.187342     -0.275461
  C      -4.607672      3.809821     -0.786827
  C      -3.408847      4.303696     -0.222292
  C      -3.446875      5.160027      0.860054
  C      -4.688852      5.554811      1.414886
  C      -5.830904      1.917056      7.523961
  C      -6.968306      2.606190      8.284569
  C      -8.264571      1.767395      8.276265
  C      -8.808127      1.545211      6.891542
  N      -8.537018      0.376015      6.313442
  C      -8.982395      0.188478      5.043721
  N      -9.656068      1.033397      4.288295
  C      -9.955916      2.239685      4.860746
  C     -10.675013      3.198969      4.107952
  C     -10.970928      4.428255      4.659341
  C     -10.570887      4.741238      5.979712
  C      -9.875739      3.821180      6.737331
  C      -9.547205      2.552878      6.196084
  H      -2.905793      2.584358      2.370798
  H      -4.534924      3.111144      2.787156
  H      -3.474228      0.395266      3.725179
  H      -4.092529      0.599744      2.086143
  H      -5.711080     -0.224153      4.060822
  H      -5.778698      1.488491      4.479935
  H      -8.682372      3.397176      1.605088
  H      -9.051142     -0.327320     -1.085780
  H      -7.942374     -2.567638     -1.140351
  H      -6.220039     -3.157182      0.554029
  H      -5.577437     -1.541167      2.306118
  H      -5.504603      6.607353      5.424134
  H      -4.629329      7.644092      6.564395
  H      -2.940192      8.200118      4.864559
  H      -4.574946      8.555416      4.298171
  H      -2.975696      7.463670      2.598048
  H      -3.016810      6.005870      3.576083
  H      -8.080263      6.606944      2.721365
  H      -6.769178      3.835168     -0.712335
  H      -4.560570      3.135754     -1.643843
  H      -2.449775      4.006206     -0.648985
  H      -2.517998      5.534117      1.291777
  H      -5.588631      0.952777      8.008806
  H      -6.191238      1.665336      6.516370
  H      -6.669731      2.786887      9.328848
  H      -7.145618      3.589642      7.822298
  H      -8.065474      0.779224      8.714985
  H      -9.018782      2.265522      8.902209
  H      -8.742463     -0.783406      4.598910
  H     -10.989376      2.931236      3.097969
  H     -11.525219      5.166658      4.077533
  H     -10.819302      5.716580      6.400276
  H      -9.578282      4.070728      7.755977
  N      -5.904387      4.016230      5.043264
  N      -6.945770      4.034675      4.521405
  H      -7.137201      2.888321      3.262985
98
Coordinates from ORCA-job orca E -6258.399955895513
  N      -3.237469      2.947262      4.411192
  Mo     -4.192088      3.895432      5.875746
  N      -4.627271      2.734128      7.409101
  C      -3.638266      2.596197      8.475732
  C      -2.257639      2.581741      7.829005
  N      -2.179892      3.697112      6.846900
  C      -1.231719      3.415797      5.736289
  C      -1.881504      2.480940      4.725518
  C      -1.895129      4.989986      7.526897
  C      -2.415779      6.138847      6.681704
  N      -3.740241      5.797546      6.166884
  H      -1.255001      2.463504      3.814335
  H      -1.886783      1.443394      5.114812
  H      -1.013766      4.375813      5.247572
  H      -0.285094      3.003154      6.126304
  H      -2.467424      7.050181      7.305419
  H      -1.709636      6.368908      5.859671
  H      -2.435260      4.974555      8.482996
  H      -0.816758      5.087153      7.740410
  H      -3.791020      1.653015      9.027620
  H      -3.715006      3.411896      9.218164
  H      -2.136789      1.642247      7.273038
  H      -1.440501      2.660087      8.567114
  C      -3.718510      2.466784      3.123310
  C      -4.170676      0.993963      3.113568
  C      -5.610636      0.787895      3.651730
  C      -6.643150      0.983635      2.591677
  N      -7.305100      2.143978      2.526056
  C      -8.245940      2.411048      1.565505
  N      -8.578051      1.571928      0.629358
  C      -7.949033      0.354337      0.628772
  C      -8.295314     -0.585463     -0.366252
  C      -7.677371     -1.819772     -0.391124
  C      -6.697828     -2.160782      0.571214
  C      -6.338646     -1.264079      1.555077
  C      -6.954498      0.011826      1.605726
  C      -4.507010      6.954693      5.701930
  C      -3.885160      7.740415      4.536714
  C      -3.602049      6.900838      3.294333
  C      -4.813739      6.415933      2.541074
  N      -6.014519      6.799165      2.950325
  C      -7.095450      6.293723      2.298765
  N      -7.103681      5.442814      1.292141
  C      -5.875815      5.061949      0.819734
  C      -5.803288      4.166220     -0.275490
  C      -4.574606      3.781802     -0.774110
  C      -3.379063      4.278615     -0.205186
  C      -3.423466      5.144054      0.869648
  C      -4.668701      5.546084      1.411540
  C      -5.829713      1.918021      7.524086
  C      -6.968748      2.596274      8.291774
  C      -8.258778      1.748220      8.283220
  C      -8.805202      1.531618      6.898723
  N      -8.530985      0.367087      6.313038
  C      -8.979277      0.185049      5.043494
  N      -9.658434      1.031460      4.294788
  C      -9.960752      2.233503      4.874754
  C     -10.685802      3.194204      4.129369
  C     -10.983728      4.419789      4.688017
  C     -10.580405      4.727092      6.008662
  C      -9.880150      3.805272      6.759387
  C      -9.549070      2.540922      6.210533
  H      -2.916428      2.582769      2.370857
  H      -4.544840      3.110075      2.787860
  H      -3.483721      0.395534      3.729139
  H      -4.099887      0.598691      2.088786
  H      -5.721803     -0.227021      4.057078
  H      -5.789056      1.484569      4.481481
  H      -8.691005      3.404819      1.616323
  H      -9.055985     -0.305558     -1.095238
  H      -7.947738     -2.545913     -1.159089
  H      -6.226857     -3.143533      0.533716
  H      -5.585511     -1.535695      2.294178
  H      -5.507110      6.612897      5.411054
  H      -4.636521      7.650542      6.553903
  H      -2.943408      8.209217      4.860861
  H      -4.576067      8.558842      4.285739
  H      -2.965788      7.469583      2.594990
  H      -3.006621      6.012948      3.574613
  H      -8.067942      6.625171      2.675617
  H      -6.736259      3.812603     -0.717085
  H      -4.522472      3.099960     -1.624643
  H      -2.417466      3.975465     -0.622056
  H      -2.497151      5.519368      1.305594
  H      -5.580501      0.952342      8.002752
  H      -6.191920      1.669537      6.516236
  H      -6.667754      2.773609      9.335926
  H      -7.155218      3.580536      7.835057
  H      -8.051253      0.758835      8.715046
  H      -9.014407      2.237376      8.914968
  H      -8.734617     -0.782004      4.591188
  H     -11.003147      2.930225      3.119322
  H     -11.542731      5.159241      4.112181
  H     -10.830552      5.699437      6.435058
  H      -9.580236      4.050920      7.778257
  N      -5.910984      4.022317      5.043294
  N      -6.953276      4.041242      4.522935
  H      -7.146170      2.890655      3.269439
98
Coordinates from ORCA-job orca E -6258.399970691145
  N      -3.241213      2.948970      4.405277
  Mo     -4.193509      3.896887      5.871861
  N      -4.626174      2.734598      7.405073
  C      -3.635176      2.595882      8.469878
  C      -2.255641      2.583126      7.820840
  N      -2.180218      3.699803      6.840051
  C      -1.233867      3.420260      5.727443
  C      -1.883983      2.484861      4.717453
  C      -1.895244      4.991881      7.521086
  C      -2.418941      6.141886      6.679085
  N      -3.742954      5.799248      6.164132
  H      -1.258796      2.469083      3.805328
  H      -1.886866      1.447089      5.106252
  H      -1.018189      4.380884      5.238807
  H      -0.285851      3.008710      6.115285
  H      -2.472183      7.051112      7.305796
  H      -1.713503      6.376268      5.857590
  H      -2.433157      4.974389      8.478423
  H      -0.816495      5.089821      7.732313
  H      -3.786209      1.651719      9.020579
  H      -3.711330      3.410325      9.213722
  H      -2.135367      1.644479      7.263335
  H      -1.437241      2.660997      8.557576
  C      -3.724168      2.464337      3.119715
  C      -4.176149      0.991387      3.114371
  C      -5.616536      0.785768      3.651428
  C      -6.648060      0.983576      2.590820
  N      -7.308521      2.144739      2.526504
  C      -8.248564      2.414085      1.566016
  N      -8.581727      1.576372      0.628919
  C      -7.954972      0.357641      0.627659
  C      -8.303252     -0.581112     -0.367659
  C      -7.688003     -1.816776     -0.392830
  C      -6.709214     -2.160158      0.569460
  C      -6.348158     -1.264493      1.553595
  C      -6.961103      0.012769      1.604397
  C      -4.511967      6.956280      5.702605
  C      -3.891190      7.748371      4.541373
  C      -3.601477      6.914165      3.296656
  C      -4.809295      6.419231      2.543655
  N      -6.012576      6.802266      2.946176
  C      -7.090048      6.291534      2.293035
  N      -7.092860      5.435822      1.290406
  C      -5.862531      5.054565      0.824990
  C      -5.784036      4.154138     -0.265887
  C      -4.552812      3.769063     -0.757466
  C      -3.360331      4.269798     -0.185543
  C      -3.410441      5.139807      0.885375
  C      -4.658495      5.543119      1.419702
  C      -5.828760      1.919073      7.521963
  C      -6.967267      2.596629      8.290909
  C      -8.255867      1.746816      8.284138
  C      -8.802424      1.529819      6.899665
  N      -8.525507      0.366581      6.312895
  C      -8.973738      0.184381      5.043316
  N      -9.655189      1.029627      4.295451
  C      -9.959775      2.230656      4.876203
  C     -10.686898      3.190474      4.131558
  C     -10.986981      4.415217      4.691023
  C     -10.583940      4.722533      6.011715
  C      -9.881684      3.801631      6.761690
  C      -9.548308      2.538216      6.212084
  H      -2.923436      2.577838      2.365543
  H      -4.550960      3.106622      2.783289
  H      -3.489866      0.394824      3.732523
  H      -4.104561      0.592860      2.090871
  H      -5.728447     -0.229337      4.056230
  H      -5.795199      1.482179      4.481280
  H      -8.692616      3.408274      1.618527
  H      -9.063439     -0.299454     -1.096469
  H      -7.960099     -2.542224     -1.160823
  H      -6.240437     -3.143927      0.531707
  H      -5.595696     -1.537900      2.292741
  H      -5.510802      6.613193      5.409101
  H      -4.644323      7.648192      6.557417
  H      -2.952156      8.220306      4.868942
  H      -4.584997      8.564611      4.291551
  H      -2.973825      7.492269      2.596971
  H      -2.994247      6.033343      3.573196
  H      -8.064592      6.623558      2.664150
  H      -6.714756      3.797941     -0.710130
  H      -4.496149      3.083327     -1.604561
  H      -2.396614      3.965761     -0.596805
  H      -2.486575      5.518135      1.323792
  H      -5.578465      0.953633      8.000564
  H      -6.192332      1.670020      6.514704
  H      -6.664903      2.774427      9.334587
  H      -7.156143      3.580449      7.834300
  H      -8.046990      0.757886      8.716229
  H      -9.011820      2.235465      8.916079
  H      -8.726178     -0.781331      4.589976
  H     -11.004499      2.926444      3.121603
  H     -11.548051      5.153638      4.115922
  H     -10.835725      5.694208      6.438655
  H      -9.581347      4.047422      7.780367
  N      -5.913389      4.023107      5.041660
  N      -6.956821      4.041190      4.523354
  H      -7.149391      2.891435      3.269325
98
Coordinates from ORCA-job orca E -6258.399984344144
  N      -3.245595      2.946578      4.391805
  Mo     -4.194749      3.893407      5.861930
  N      -4.623392      2.729776      7.394938
  C      -3.629410      2.590604      8.456984
  C      -2.251562      2.580752      7.804489
  N      -2.179801      3.699227      6.825368
  C      -1.236063      3.422462      5.709850
  C      -1.886375      2.486087      4.700985
  C      -1.894564      4.990273      7.507829
  C      -2.424670      6.141910      6.671647
  N      -3.748124      5.796207      6.157528
  H      -1.263096      2.472876      3.787479
  H      -1.885397      1.447939      5.088953
  H      -1.023923      4.384023      5.221376
  H      -0.285931      3.012849      6.094624
  H      -2.480684      7.047412      7.303570
  H      -1.721483      6.384287      5.850456
  H      -2.427926      4.969346      8.467656
  H      -0.815077      5.089939      7.714384
  H      -3.777471      1.644916      9.005985
  H      -3.705102      3.403180      9.202918
  H      -2.131725      1.643260      7.244996
  H      -1.431460      2.658337      8.539338
  C      -3.731832      2.451896      3.111359
  C      -4.184084      0.978955      3.117817
  C      -5.625582      0.775912      3.652746
  C      -6.654391      0.974823      2.589750
  N      -7.311966      2.137404      2.523575
  C      -8.248308      2.409062      1.560335
  N      -8.580974      1.571916      0.622443
  C      -7.957808      0.351341      0.623681
  C      -8.306571     -0.587267     -0.371627
  C      -7.695233     -1.824929     -0.394017
  C      -6.719842     -2.170451      0.570991
  C      -6.358360     -1.274934      1.555094
  C      -6.967461      0.004217      1.603148
  C      -4.525955      6.952624      5.709597
  C      -3.913154      7.763934      4.557766
  C      -3.611737      6.946792      3.304317
  C      -4.812139      6.432388      2.552759
  N      -6.020265      6.810130      2.946196
  C      -7.090695      6.288080      2.290567
  N      -7.082454      5.426811      1.292625
  C      -5.847227      5.049965      0.836967
  C      -5.756539      4.143461     -0.247884
  C      -4.520134      3.763604     -0.730230
  C      -3.334158      4.275226     -0.154405
  C      -3.396019      5.150626      0.911514
  C      -4.649673      5.549343      1.435906
  C      -5.827938      1.918083      7.517143
  C      -6.962108      2.599252      8.289332
  C      -8.253083      1.753317      8.287056
  C      -8.802574      1.534465      6.903806
  N      -8.531455      0.368530      6.319921
  C      -8.982482      0.184528      5.051517
  N      -9.660734      1.030734      4.301944
  C      -9.958750      2.234890      4.879366
  C     -10.681028      3.196506      4.132266
  C     -10.974521      4.424368      4.688477
  C     -10.569842      4.733154      6.008281
  C      -9.871859      3.810766      6.760414
  C      -9.544797      2.544280      6.214074
  H      -2.933015      2.558723      2.354430
  H      -4.559063      3.091962      2.771319
  H      -3.499418      0.387407      3.742588
  H      -4.110396      0.571531      2.097942
  H      -5.739036     -0.238615      4.058500
  H      -5.805090      1.473545      4.481312
  H      -8.690726      3.403968      1.612697
  H      -9.064128     -0.303954     -1.102538
  H      -7.967880     -2.550340     -1.161839
  H      -6.254164     -3.155770      0.535372
  H      -5.608593     -1.549964      2.296403
  H      -5.522229      6.605340      5.412586
  H      -4.663169      7.632860      6.573055
  H      -2.979883      8.243180      4.891284
  H      -4.615943      8.574764      4.315817
  H      -3.004570      7.547759      2.605315
  H      -2.979128      6.080371      3.567650
  H      -8.069450      6.616426      2.653889
  H      -6.682601      3.779302     -0.695555
  H      -4.454151      3.073104     -1.572756
  H      -2.366215      3.974666     -0.558222
  H      -2.477327      5.537062      1.353527
  H      -5.578082      0.952593      7.995926
  H      -6.195884      1.668926      6.511561
  H      -6.655705      2.776486      9.331948
  H      -7.149819      3.583447      7.833117
  H      -8.047042      0.764980      8.721731
  H      -9.006660      2.246188      8.918681
  H      -8.739219     -0.783304      4.600651
  H     -11.000552      2.931542      3.123175
  H     -11.532219      5.163888      4.111516
  H     -10.816649      5.707251      6.432603
  H      -9.569241      4.057565      7.778138
  N      -5.916209      4.017874      5.035346
  N      -6.961166      4.034207      4.520012
  H      -7.152844      2.884194      3.266791
98
Coordinates from ORCA-job orca E -6258.399990405542
  N      -3.238015      2.943774      4.394310
  Mo     -4.189432      3.890174      5.863540
  N      -4.620927      2.726522      7.395705
  C      -3.629096      2.587547      8.459705
  C      -2.250091      2.578035      7.809828
  N      -2.176679      3.696169      6.830405
  C      -1.230995      3.418920      5.716611
  C      -1.879644      2.482700      4.706624
  C      -1.892251      4.987392      7.512923
  C      -2.421398      6.138841      6.675899
  N      -3.744081      5.793114      6.159762
  H      -1.254338      2.469450      3.794453
  H      -1.879603      1.444469      5.094383
  H      -1.017428      4.380369      5.228527
  H      -0.281790      3.008930      6.103277
  H      -2.478563      7.044247      7.307888
  H      -1.717133      6.381654      5.855778
  H      -2.426512      4.966747      8.472264
  H      -0.812965      5.086967      7.720536
  H      -3.777703      1.641383      9.007857
  H      -3.706699      3.399578      9.206056
  H      -2.128897      1.640305      7.251018
  H      -1.431400      2.656149      8.546188
  C      -3.721746      2.448600      3.113242
  C      -4.175820      0.976118      3.120439
  C      -5.618135      0.774463      3.653579
  C      -6.645534      0.973283      2.589322
  N      -7.300661      2.137032      2.520567
  C      -8.236351      2.408843      1.556703
  N      -8.570846      1.570232      0.620764
  C      -7.950246      0.348360      0.624666
  C      -8.301157     -0.591745     -0.368502
  C      -7.692236     -1.830621     -0.388370
  C      -6.717197     -2.175983      0.577069
  C      -6.353729     -1.279080      1.559173
  C      -6.960334      0.001337      1.604629
  C      -4.522274      6.949797      5.713130
  C      -3.911029      7.759858      4.559759
  C      -3.618063      6.943372      3.303909
  C      -4.823380      6.434452      2.556807
  N      -6.028336      6.817717      2.954608
  C      -7.103291      6.300667      2.302470
  N      -7.102501      5.441065      1.303092
  C      -5.870623      5.059277      0.842489
  C      -5.787819      4.155405     -0.245248
  C      -4.554831      3.769907     -0.731832
  C      -3.364483      4.273052     -0.157561
  C      -3.418710      5.146329      0.910506
  C      -4.668827      5.550968      1.439049
  C      -5.827537      1.917778      7.517082
  C      -6.962410      2.603024      8.284378
  C      -8.255113      1.759520      8.280633
  C      -8.801442      1.539690      6.896278
  N      -8.529683      0.372976      6.314169
  C      -8.978043      0.187913      5.045008
  N      -9.654644      1.033527      4.293305
  C      -9.953029      2.238510      4.868630
  C     -10.672995      3.199730      4.118825
  C     -10.967179      4.428302      4.673069
  C     -10.565474      4.738189      5.993539
  C      -9.869480      3.816342      6.748170
  C      -9.541735      2.549116      6.203952
  H      -2.920925      2.553271      2.358110
  H      -4.547073      3.089846      2.770641
  H      -3.492964      0.384984      3.747622
  H      -4.100266      0.566535      2.101575
  H      -5.732678     -0.239625      4.060030
  H      -5.797966      1.472836      4.481508
  H      -8.676261      3.405159      1.606647
  H      -9.058303     -0.308461     -1.099847
  H      -7.966516     -2.557157     -1.154555
  H      -6.253393     -3.162266      0.543411
  H      -5.604232     -1.553991      2.300805
  H      -5.519538      6.603181      5.418532
  H      -4.656818      7.630369      6.576708
  H      -2.974413      8.234848      4.890007
  H      -4.611490      8.573842      4.321560
  H      -3.013343      7.544380      2.602675
  H      -2.986002      6.075053      3.561899
  H      -8.079394      6.631978      2.670160
  H      -6.717056      3.797570     -0.691471
  H      -4.494860      3.081414     -1.576455
  H      -2.399297      3.968016     -0.564615
  H      -2.496777      5.526753      1.350975
  H      -5.580631      0.953163      7.999166
  H      -6.193121      1.666530      6.511166
  H      -6.658398      2.782482      9.327314
  H      -7.147334      3.586382      7.825191
  H      -8.051919      0.771567      8.717528
  H      -9.009113      2.254722      8.909832
  H      -8.734917     -0.780815      4.595979
  H     -10.990042      2.934093      3.109138
  H     -11.523087      5.167567      4.094043
  H     -10.812936      5.712794      6.416328
  H      -9.568915      4.064037      7.766293
  N      -5.908848      4.016787      5.033458
  N      -6.952169      4.035638      4.514835
  H      -7.141222      2.884369      3.262420
98
Coordinates from ORCA-job orca E -6258.399997144002
  N      -3.227968      2.939199      4.390583
  Mo     -4.182101      3.884085      5.859543
  N      -4.616709      2.719561      7.390129
  C      -3.626716      2.579717      8.455618
  C      -2.246593      2.570573      7.808144
  N      -2.171210      3.689252      6.829419
  C      -1.223428      3.412715      5.717180
  C      -1.870363      2.477407      4.705427
  C      -1.887217      4.980013      7.513249
  C      -2.416285      6.131957      6.676899
  N      -3.739027      5.786601      6.160550
  H      -1.243248      2.464552      3.794450
  H      -1.871229      1.438855      5.092331
  H      -1.008646      4.374527      5.230350
  H      -0.275118      3.002152      6.105413
  H      -2.473602      7.036893      7.309515
  H      -1.712254      6.375508      5.856852
  H      -2.421583      4.958653      8.472504
  H      -0.807952      5.079290      7.721121
  H      -3.776158      1.632935      9.002567
  H      -3.705621      3.390944      9.202782
  H      -2.124302      1.633041      7.249242
  H      -1.429301      2.648306      8.546086
  C      -3.710739      2.441405      3.110066
  C      -4.167640      0.969780      3.121924
  C      -5.610473      0.772129      3.655210
  C      -6.637644      0.967623      2.590193
  N      -7.288631      2.133286      2.514108
  C      -8.224394      2.402260      1.549332
  N      -8.562791      1.558442      0.619489
  C      -7.946351      0.334476      0.630870
  C      -8.301476     -0.610958     -0.355730
  C      -7.696384     -1.851793     -0.368381
  C      -6.721042     -2.193931      0.597891
  C      -6.353528     -1.291864      1.573751
  C      -6.956302     -0.009410      1.611865
  C      -4.521694      6.944189      5.724670
  C      -3.915935      7.762427      4.574383
  C      -3.629086      6.954673      3.311866
  C      -4.837878      6.447024      2.569692
  N      -6.040755      6.831601      2.972391
  C      -7.118661      6.316989      2.323179
  N      -7.122669      5.459660      1.321889
  C      -5.892966      5.076416      0.856647
  C      -5.815164      4.175402     -0.233936
  C      -4.584362      3.788236     -0.724794
  C      -3.391311      4.286974     -0.152331
  C      -3.440722      5.157912      0.917805
  C      -4.688493      5.563969      1.450893
  C      -5.827043      1.916425      7.512398
  C      -6.961152      2.610472      8.272774
  C      -8.257824      1.772667      8.269558
  C      -8.801710      1.548754      6.884986
  N      -8.532205      0.378550      6.308696
  C      -8.978029      0.189283      5.039339
  N      -9.650032      1.033800      4.282263
  C      -9.946227      2.242183      4.851582
  C     -10.661183      3.202285      4.095688
  C     -10.953662      4.433882      4.644005
  C     -10.554711      4.748175      5.964299
  C      -9.863207      3.827680      6.724657
  C      -9.537583      2.557209      6.186731
  H      -2.908302      2.541775      2.355942
  H      -4.533811      3.083756      2.764298
  H      -3.486377      0.380480      3.752616
  H      -4.091208      0.555029      2.105224
  H      -5.726201     -0.240169      4.065636
  H      -5.789369      1.473796      4.480609
  H      -8.659341      3.401295      1.591899
  H      -9.058596     -0.329960     -1.087980
  H      -7.973880     -2.582376     -1.129555
  H      -6.260214     -3.181790      0.569934
  H      -5.603777     -1.564309      2.316026
  H      -5.519355      6.597133      5.431660
  H      -4.654262      7.619051      6.592933
  H      -2.977557      8.234759      4.903475
  H      -4.617504      8.578065      4.345213
  H      -3.032138      7.563011      2.610091
  H      -2.991727      6.087284      3.559024
  H      -8.093118      6.647542      2.695768
  H      -6.746315      3.820629     -0.678568
  H      -4.528213      3.102007     -1.571535
  H      -2.427909      3.980686     -0.562671
  H      -2.516809      5.535231      1.356667
  H      -5.585538      0.953235      7.999994
  H      -6.190746      1.661619      6.506731
  H      -6.659549      2.794607      9.315590
  H      -7.140567      3.592066      7.807601
  H      -8.059797      0.785841      8.711418
  H      -9.010898      2.273843      8.894946
  H      -8.737687     -0.782644      4.595558
  H     -10.975633      2.933503      3.086025
  H     -11.505598      5.172448      4.060288
  H     -10.800812      5.725163      6.382363
  H      -9.564815      4.078719      7.742625
  N      -5.899813      4.013569      5.026527
  N      -6.941530      4.035148      4.504867
  H      -7.127523      2.883551      3.252530
98
Coordinates from ORCA-job orca E -6258.399998975280
  N      -3.228160      2.937436      4.390719
  Mo     -4.182608      3.882452      5.859445
  N      -4.616472      2.718593      7.390770
  C      -3.626215      2.579590      8.456091
  C      -2.246163      2.570443      7.808312
  N      -2.171330      3.688609      6.828949
  C      -1.223561      3.412014      5.716693
  C      -1.870390      2.476077      4.705442
  C      -1.887799      4.979929      7.512062
  C      -2.417439      6.131124      6.675078
  N      -3.740585      5.785246      6.159890
  H      -1.243477      2.462793      3.794350
  H      -1.871014      1.437730      5.092895
  H      -1.009338      4.373711      5.229403
  H      -0.275021      3.002030      6.104966
  H      -2.474310      7.036694      7.306791
  H      -1.713995      6.373763      5.854267
  H      -2.422020      4.958897      8.471398
  H      -0.808537      5.079773      7.719693
  H      -3.775414      1.633212      9.003778
  H      -3.705019      3.391372      9.202677
  H      -2.123631      1.632616      7.249968
  H      -1.428776      2.648882      8.546076
  C      -3.710989      2.440118      3.109952
  C      -4.167561      0.968425      3.121354
  C      -5.610200      0.770331      3.655032
  C      -6.637836      0.966130      2.590499
  N      -7.288302      2.132102      2.514296
  C      -8.223613      2.401588      1.549239
  N      -8.562462      1.557865      0.619465
  C      -7.946750      0.333551      0.631055
  C      -8.302316     -0.611798     -0.355459
  C      -7.697419     -1.852727     -0.368327
  C      -6.721821     -2.195037      0.597610
  C      -6.353972     -1.293120      1.573487
  C      -6.956733     -0.010662      1.611993
  C      -4.524330      6.942702      5.725478
  C      -3.919675      7.762813      4.575848
  C      -3.631759      6.956614      3.312629
  C      -4.839780      6.447946      2.569662
  N      -6.043294      6.830959      2.971895
  C      -7.120314      6.314971      2.322222
  N      -7.122795      5.457511      1.321022
  C      -5.892359      5.076091      0.856126
  C      -5.812900      4.175194     -0.234449
  C      -4.581368      3.790073     -0.725127
  C      -3.389223      4.290754     -0.152471
  C      -3.440235      5.161465      0.917750
  C      -4.688748      5.565439      1.450678
  C      -5.826777      1.915473      7.513746
  C      -6.960780      2.610262      8.273666
  C      -8.257970      1.773115      8.270235
  C      -8.801950      1.549574      6.885680
  N      -8.533809      0.378861      6.309723
  C      -8.979531      0.189888      5.040293
  N      -9.650214      1.035133      4.282831
  C      -9.945099      2.243986      4.851880
  C     -10.658814      3.204725      4.095633
  C     -10.949753      4.436864      4.643523
  C     -10.550563      4.751000      5.963789
  C      -9.860424      3.829823      6.724559
  C      -9.536331      2.558797      6.187031
  H      -2.908618      2.540970      2.355814
  H      -4.534139      3.082507      2.764532
  H      -3.485823      0.379076      3.751497
  H      -4.091423      0.554105      2.104445
  H      -5.725632     -0.242180      4.064992
  H      -5.788836      1.471558      4.480860
  H      -8.657455      3.401189      1.591313
  H      -9.059474     -0.330597     -1.087592
  H      -7.975159     -2.583195     -1.129522
  H      -6.261046     -3.182912      0.569388
  H      -5.604020     -1.565684      2.315510
  H      -5.521770      6.595006      5.432516
  H      -4.657241      7.616659      6.594396
  H      -2.981893      8.235965      4.905414
  H      -4.622276      8.577807      4.347529
  H      -3.035068      7.566121      2.611687
  H      -2.993865      6.089505      3.559332
  H      -8.095365      6.644449      2.694204
  H      -6.743256      3.818904     -0.679507
  H      -4.523996      3.104083     -1.571977
  H      -2.425249      3.986174     -0.562736
  H      -2.516989      5.540250      1.356775
  H      -5.585370      0.952498      8.001802
  H      -6.190624      1.660138      6.508247
  H      -6.659537      2.794846      9.316492
  H      -7.139610      3.591695      7.807909
  H      -8.060383      0.786079      8.711845
  H      -9.010749      2.274551      8.895807
  H      -8.740035     -0.782294      4.596595
  H     -10.973466      2.935920      3.086036
  H     -11.500575      5.176053      4.059546
  H     -10.795455      5.728425      6.381541
  H      -9.562068      4.080806      7.742563
  N      -5.900195      4.012428      5.026262
  N      -6.941491      4.035232      4.503847
  H      -7.126587      2.882685      3.252520
98
Coordinates from ORCA-job orca E -6258.400000582880
  N      -3.228631      2.936436      4.389452
  Mo     -4.183338      3.881250      5.858195
  N      -4.616184      2.717624      7.390099
  C      -3.625402      2.578995      8.454942
  C      -2.245583      2.570016      7.806608
  N      -2.171494      3.688065      6.827092
  C      -1.223894      3.411823      5.714618
  C      -1.870720      2.475430      4.703811
  C      -1.888501      4.979721      7.509964
  C      -2.418824      6.130378      6.672732
  N      -3.742518      5.784250      6.158810
  H      -1.244113      2.461795      3.792531
  H      -1.871118      1.437245      5.091728
  H      -1.010482      4.373544      5.227028
  H      -0.275010      3.002425      6.102648
  H      -2.475040      7.036492      7.303673
  H      -1.715995      6.372069      5.851119
  H      -2.422573      4.958616      8.469372
  H      -0.809242      5.080128      7.717360
  H      -3.774387      1.632916      9.003145
  H      -3.703777      3.391179      9.201160
  H      -2.122931      1.632137      7.248370
  H      -1.427948      2.648834      8.544063
  C      -3.711679      2.439814      3.108451
  C      -4.167968      0.968099      3.119588
  C      -5.610082      0.769647      3.654451
  C      -6.638491      0.965037      2.590659
  N      -7.288422      2.131280      2.513794
  C      -8.223749      2.400462      1.548692
  N      -8.563759      1.556042      0.619989
  C      -7.948857      0.331354      0.632464
  C      -8.305599     -0.614788     -0.352850
  C      -7.701000     -1.855871     -0.365183
  C      -6.724548     -2.197534      0.600103
  C      -6.355720     -1.294935      1.574979
  C      -6.958306     -0.012357      1.613044
  C      -4.527466      6.941828      5.726811
  C      -3.923347      7.765135      4.579066
  C      -3.633311      6.961387      3.314800
  C      -4.840234      6.450894      2.571066
  N      -6.044416      6.833392      2.971733
  C      -7.120460      6.315993      2.321527
  N      -7.121295      5.457400      1.321305
  C      -5.890084      5.076459      0.858055
  C      -5.808914      4.174568     -0.231534
  C      -4.576623      3.790267     -0.721011
  C      -3.385396      4.292834     -0.148104
  C      -3.438051      5.164466      0.921290
  C      -4.687356      5.567554      1.453046
  C      -5.826279      1.914232      7.513789
  C      -6.960375      2.609474      8.273124
  C      -8.257758      1.772533      8.269591
  C      -8.801783      1.549500      6.885029
  N      -8.534815      0.378384      6.309310
  C      -8.980442      0.189700      5.039810
  N      -9.650239      1.035488      4.282123
  C      -9.943901      2.244765      4.850978
  C     -10.656581      3.206048      4.094422
  C     -10.946001      4.438725      4.641883
  C     -10.546413      4.752739      5.962072
  C      -9.857460      3.830961      6.723206
  C      -9.534797      2.559445      6.186052
  H      -2.909403      2.541082      2.354244
  H      -4.534797      3.082432      2.763453
  H      -3.485454      0.378734      3.748868
  H      -4.092683      0.554195      2.102448
  H      -5.725037     -0.242835      4.064589
  H      -5.788228      1.470964      4.480357
  H      -8.656597      3.400511      1.589967
  H      -9.063266     -0.334027     -1.084627
  H      -7.979553     -2.586929     -1.125515
  H      -6.263886     -3.185475      0.572178
  H      -5.605128     -1.566980      2.316532
  H      -5.524425      6.593538      5.432917
  H      -4.661501      7.613881      6.597044
  H      -2.986583      8.239160      4.910219
  H      -4.627102      8.579410      4.351765
  H      -3.037458      7.572830      2.614872
  H      -2.994114      6.095098      3.560946
  H      -8.096111      6.645642      2.691773
  H      -6.738416      3.816823     -0.677207
  H      -4.518033      3.103579     -1.567213
  H      -2.420818      3.989007     -0.557505
  H      -2.515449      5.544692      1.360485
  H      -5.584670      0.951640      8.002464
  H      -6.190140      1.657932      6.508474
  H      -6.659596      2.794752      9.315941
  H      -7.139060      3.590579      7.806631
  H      -8.060252      0.785280      8.710747
  H      -9.010337      2.273965      8.895458
  H      -8.741619     -0.782593      4.596016
  H     -10.971750      2.937011      3.085044
  H     -11.495948      5.178462      4.057764
  H     -10.790060      5.730607      6.379529
  H      -9.559067      4.082114      7.741164
  N      -5.900824      4.012286      5.024904
  N      -6.941508      4.036970      4.501389
  H      -7.126224      2.882482      3.251386
98
Coordinates from ORCA-job orca E -6258.400000600568
  N      -3.228063      2.935984      4.390724
  Mo     -4.182941      3.880916      5.859278
  N      -4.615721      2.717694      7.391486
  C      -3.624981      2.579149      8.456366
  C      -2.245165      2.570125      7.808011
  N      -2.171139      3.688030      6.828327
  C      -1.223465      3.411691      5.715944
  C      -1.870171      2.475087      4.705219
  C      -1.888460      4.979833      7.511025
  C      -2.418801      6.130326      6.673581
  N      -3.742428      5.784062      6.159418
  H      -1.243491      2.461307      3.793996
  H      -1.870564      1.436976      5.093344
  H      -1.010187      4.373348      5.228166
  H      -0.274545      3.002487      6.104084
  H      -2.475208      7.036514      7.304383
  H      -1.715785      6.371915      5.852096
  H      -2.422737      4.958762      8.470321
  H      -0.809262      5.080457      7.718628
  H      -3.774003      1.633146      9.004675
  H      -3.703316      3.391441      9.202470
  H      -2.122480      1.632186      7.249881
  H      -1.427522      2.649088      8.545446
  C      -3.710833      2.439752      3.109475
  C      -4.167367      0.968107      3.120258
  C      -5.609671      0.769843      3.654652
  C      -6.637659      0.965816      2.590574
  N      -7.287018      2.132369      2.513657
  C      -8.222172      2.401933      1.548540
  N      -8.562449      1.557749      0.619721
  C      -7.948090      0.332795      0.632195
  C      -8.305181     -0.613163     -0.353165
  C      -7.701191     -1.854543     -0.365444
  C      -6.725030     -2.196693      0.599963
  C      -6.355898     -1.294304      1.574909
  C      -6.957826     -0.011404      1.612901
  C      -4.526835      6.941654      5.726420
  C      -3.922254      7.763766      4.578072
  C      -3.633257      6.959028      3.314138
  C      -4.840877      6.449925      2.570543
  N      -6.044598      6.833472      2.971583
  C      -7.121301      6.317395      2.321421
  N      -7.123200      5.459410      1.320682
  C      -5.892470      5.077524      0.856976
  C      -5.812465      4.176264     -0.233206
  C      -4.580680      3.790594     -0.722877
  C      -3.388805      4.291192     -0.149587
  C      -3.440338      5.162351      0.920260
  C      -4.689116      5.566829      1.452195
  C      -5.825867      1.914333      7.514914
  C      -6.960352      2.609887      8.273337
  C      -8.257741      1.773040      8.269363
  C      -8.800892      1.549629      6.884495
  N      -8.532642      0.378814      6.308758
  C      -8.977627      0.189848      5.039065
  N      -9.648041      1.035021      4.281239
  C      -9.942923      2.244009      4.850067
  C     -10.656238      3.204704      4.093338
  C     -10.946721      4.437184      4.640694
  C     -10.547681      4.751550      5.960956
  C      -9.858203      3.830312      6.722287
  C      -9.534432      2.559035      6.185242
  H      -2.908380      2.541089      2.355468
  H      -4.533770      3.082547      2.764372
  H      -3.485105      0.378511      3.749581
  H      -4.092015      0.554437      2.103025
  H      -5.725026     -0.242711      4.064480
  H      -5.787941      1.471017      4.480656
  H      -8.654726      3.402095      1.590062
  H      -9.062652     -0.332051     -1.085009
  H      -7.980024     -2.585469     -1.125799
  H      -6.264832     -3.184854      0.572061
  H      -5.605540     -1.566730      2.316560
  H      -5.523912      6.593595      5.432698
  H      -4.660673      7.614418      6.596134
  H      -2.984974      8.237074      4.908806
  H      -4.625196      8.578654      4.350463
  H      -3.036455      7.569206      2.613948
  H      -2.995308      6.091937      3.560868
  H      -8.096536      6.647366      2.692469
  H      -6.742428      3.819997     -0.679118
  H      -4.523002      3.104294     -1.569455
  H      -2.424610      3.986260     -0.559071
  H      -2.517246      5.541162      1.359660
  H      -5.584477      0.951976      8.004150
  H      -6.189209      1.657530      6.509528
  H      -6.660137      2.795454      9.316266
  H      -7.138754      3.590861      7.806469
  H      -8.060666      0.785922      8.711004
  H      -9.010675      2.274843      8.894498
  H      -8.737505     -0.782036      4.595104
  H     -10.971037      2.935343      3.083932
  H     -11.497090      5.176478      4.056412
  H     -10.792122      5.729259      6.378321
  H      -9.560223      4.081760      7.740285
  N      -5.900350      4.012203      5.025858
  N      -6.940804      4.037966      4.501906
  H      -7.125003      2.883654      3.251567
98
Coordinates from ORCA-job orca E -6258.400001647339
  N      -3.225827      2.935282      4.393510
  Mo     -4.181357      3.880319      5.861523
  N      -4.614868      2.717731      7.393949
  C      -3.624573      2.578755      8.459157
  C      -2.244549      2.569552      7.811263
  N      -2.170010      3.687366      6.831510
  C      -1.221840      3.410800      5.719624
  C      -1.868185      2.474192      4.708629
  C      -1.887777      4.979259      7.514166
  C      -2.417644      6.129686      6.676339
  N      -3.741067      5.783546      6.161430
  H      -1.241040      2.460232      3.797735
  H      -1.868927      1.436125      5.096888
  H      -1.008287      4.372373      5.231788
  H      -0.273141      3.001568      6.108266
  H      -2.474393      7.035941      7.307005
  H      -1.714073      6.371076      5.855273
  H      -2.422670      4.958273      8.473128
  H      -0.808724      5.079971      7.722454
  H      -3.774051      1.632701      9.007239
  H      -3.702942      3.390963      9.205356
  H      -2.121791      1.631601      7.253166
  H      -1.427136      2.648425      8.548967
  C      -3.707835      2.440201      3.111558
  C      -4.164848      0.968666      3.121087
  C      -5.607329      0.770450      3.655082
  C      -6.634855      0.966968      2.590656
  N      -7.283391      2.133968      2.513285
  C      -8.218260      2.403832      1.547971
  N      -8.558913      1.559669      0.619293
  C      -7.945326      0.334335      0.632153
  C      -8.302804     -0.611598     -0.353085
  C      -7.699684     -1.853401     -0.364915
  C      -6.724010     -2.195988      0.600839
  C      -6.354491     -1.293623      1.575649
  C      -6.955490     -0.010260      1.613158
  C      -4.524259      6.941231      5.726497
  C      -3.918945      7.760308      4.576410
  C      -3.633641      6.952962      3.313262
  C      -4.843673      6.448068      2.570711
  N      -6.045768      6.834718      2.973613
  C      -7.124773      6.322607      2.324148
  N      -7.130400      5.466883      1.321506
  C      -5.901362      5.082005      0.855817
  C      -5.825379      4.182888     -0.236410
  C      -4.595344      3.793130     -0.727256
  C      -3.401272      4.287516     -0.153166
  C      -3.448933      5.156989      0.918241
  C      -4.695858      5.565746      1.451232
  C      -5.825407      1.914802      7.516595
  C      -6.960532      2.611376      8.273116
  C      -8.258468      1.775478      8.268247
  C      -8.799648      1.550700      6.882791
  N      -8.529350      0.379902      6.307997
  C      -8.972786      0.189671      5.037953
  N      -9.643848      1.033382      4.279076
  C      -9.940635      2.242395      4.846835
  C     -10.654335      3.201794      4.088802
  C     -10.946292      4.434492      4.634892
  C     -10.548441      4.750371      5.955144
  C      -9.858729      3.830366      6.717777
  C      -9.533516      2.558894      6.182077
  H      -2.904863      2.541905      2.358147
  H      -4.530348      3.083440      2.766297
  H      -3.482848      0.378394      3.750045
  H      -4.089587      0.555846      2.103496
  H      -5.723024     -0.242222      4.064492
  H      -5.785819      1.471380      4.481248
  H      -8.650299      3.404252      1.589366
  H      -9.059933     -0.330171     -1.085160
  H      -7.978851     -2.584339     -1.125138
  H      -6.264493     -3.184478      0.573292
  H      -5.604513     -1.566408      2.317556
  H      -5.521814      6.593837      5.433592
  H      -4.657139      7.615697      6.595024
  H      -2.980017      8.231511      4.905484
  H      -4.619831      8.576881      4.348492
  H      -3.034455      7.559605      2.612083
  H      -2.999247      6.083503      3.561112
  H      -8.098566      6.654476      2.697299
  H      -6.756931      3.831311     -0.682723
  H      -4.540775      3.108280     -1.575211
  H      -2.438428      3.979200     -0.563299
  H      -2.524192      5.531026      1.358199
  H      -5.584831      0.952855      8.007031
  H      -6.187531      1.657066      6.511015
  H      -6.661418      2.797262      9.316315
  H      -7.137729      3.592279      7.805623
  H      -8.062963      0.788792      8.711542
  H      -9.012033      2.278800      8.891368
  H      -8.730815     -0.782050      4.594677
  H     -10.968209      2.931274      3.079419
  H     -11.496856      5.172785      4.049527
  H     -10.793921      5.728258      6.371481
  H      -9.561596      4.083019      7.735719
  N      -5.898201      4.012213      5.026953
  N      -6.937816      4.040192      4.501461
  H      -7.121185      2.885311      3.250819
98
Coordinates from ORCA-job orca E -6258.400001689761
  N      -3.227718      2.935925      4.391781
  Mo     -4.182531      3.880777      5.860373
  N      -4.615095      2.717958      7.392891
  C      -3.624186      2.579031      8.457544
  C      -2.244523      2.570064      7.808894
  N      -2.170648      3.688054      6.829290
  C      -1.223061      3.411787      5.716843
  C      -1.869770      2.475148      4.706108
  C      -1.888206      4.979840      7.512026
  C      -2.418793      6.130398      6.674820
  N      -3.742291      5.784035      6.160337
  H      -1.243135      2.461478      3.794856
  H      -1.870034      1.437030      5.094226
  H      -1.009940      4.373456      5.229002
  H      -0.274058      3.002694      6.104896
  H      -2.475544      7.036374      7.305902
  H      -1.715662      6.372407      5.853550
  H      -2.422484      4.958560      8.471323
  H      -0.809040      5.080698      7.719666
  H      -3.773220      1.632898      9.005614
  H      -3.702281      3.391148      9.203867
  H      -2.121998      1.632222      7.250564
  H      -1.426712      2.648887      8.546164
  C      -3.710349      2.440345      3.110260
  C      -4.167145      0.968748      3.120373
  C      -5.609474      0.770514      3.654777
  C      -6.637213      0.966932      2.590536
  N      -7.286028      2.133788      2.513467
  C      -8.221105      2.403621      1.548335
  N      -8.561601      1.559565      0.619499
  C      -7.947782      0.334331      0.632109
  C      -8.305219     -0.611528     -0.353214
  C      -7.701992     -1.853279     -0.365194
  C      -6.726253     -2.195884      0.600487
  C      -6.356752     -1.293570      1.575353
  C      -6.957839     -0.010259      1.612992
  C      -4.526095      6.941578      5.726186
  C      -3.920945      7.762402      4.577256
  C      -3.632686      6.956373      3.313934
  C      -4.840878      6.448463      2.570500
  N      -6.044170      6.832907      2.971962
  C      -7.121463      6.318279      2.321671
  N      -7.124341      5.461544      1.319877
  C      -5.894071      5.078735      0.855746
  C      -5.815132      4.178669     -0.235484
  C      -4.583801      3.791452     -0.725093
  C      -3.391333      4.289311     -0.150665
  C      -3.441852      5.159540      0.920000
  C      -4.690147      5.565736      1.451723
  C      -5.825315      1.914640      7.516066
  C      -6.960153      2.610590      8.273583
  C      -8.257783      1.774217      8.269314
  C      -8.799883      1.549918      6.884141
  N      -8.529770      0.379420      6.308663
  C      -8.974002      0.189660      5.038828
  N      -9.645596      1.033634      4.280719
  C      -9.942251      2.242338      4.849200
  C     -10.656684      3.201915      4.092084
  C     -10.948667      4.434252      4.638975
  C     -10.550077      4.749592      5.959134
  C      -9.859624      3.829410      6.720876
  C      -9.534408      2.558284      6.184357
  H      -2.907817      2.541945      2.356393
  H      -4.533184      3.083326      2.765241
  H      -3.484927      0.378673      3.749278
  H      -4.092121      0.555703      2.102858
  H      -5.725028     -0.242108      4.064358
  H      -5.787795      1.471555      4.480879
  H      -8.653354      3.403912      1.589910
  H      -9.062419     -0.330099     -1.085215
  H      -7.981144     -2.584168     -1.125468
  H      -6.266679     -3.184343      0.572841
  H      -5.606720     -1.566360      2.317203
  H      -5.523247      6.593727      5.432463
  H      -4.659905      7.615044      6.595359
  H      -2.983252      8.235169      4.907614
  H      -4.623129      8.577778      4.349077
  H      -3.034893      7.565086      2.613332
  H      -2.995883      6.088687      3.561663
  H      -8.096295      6.648528      2.693538
  H      -6.745538      3.824479     -0.682141
  H      -4.526962      3.105939     -1.572363
  H      -2.427464      3.983017     -0.559902
  H      -2.518329      5.536215      1.360282
  H      -5.584116      0.952605      8.006029
  H      -6.188055      1.657133      6.510652
  H      -6.660379      2.796223      9.316639
  H      -7.138028      3.591572      7.806519
  H      -8.061599      0.787403      8.712022
  H      -9.011067      2.276984      8.893222
  H      -8.732198     -0.781865      4.595016
  H     -10.971051      2.931837      3.082736
  H     -11.499841      5.172663      4.054335
  H     -10.795594      5.727198      6.376110
  H      -9.561913      4.081652      7.738752
  N      -5.899957      4.012129      5.026906
  N      -6.940098      4.039299      4.502405
  H      -7.123991      2.885022      3.251232
98
Coordinates from ORCA-job orca E -6258.400002338553
  N      -3.229489      2.936013      4.390405
  Mo     -4.183705      3.880940      5.859322
  N      -4.615390      2.718234      7.392187
  C      -3.623919      2.579535      8.456346
  C      -2.244589      2.570653      7.807008
  N      -2.171327      3.688616      6.827326
  C      -1.224246      3.412423      5.714446
  C      -1.871274      2.475563      4.704123
  C      -1.888726      4.980442      7.509894
  C      -2.419990      6.130957      6.673050
  N      -3.743544      5.784297      6.158983
  H      -1.245091      2.461980      3.792559
  H      -1.871120      1.437469      5.092300
  H      -1.011520      4.374086      5.226417
  H      -0.274968      3.003540      6.102055
  H      -2.476770      7.036774      7.304373
  H      -1.717256      6.373431      5.851570
  H      -2.422421      4.959062      8.469510
  H      -0.809458      5.081504      7.716911
  H      -3.772565      1.633431      9.004575
  H      -3.701752      3.391704      9.202635
  H      -2.122276      1.632798      7.248655
  H      -1.426418      2.649570      8.543869
  C      -3.712564      2.439978      3.109242
  C      -4.169367      0.968400      3.119900
  C      -5.611606      0.770245      3.654612
  C      -6.639437      0.966665      2.590458
  N      -7.288628      2.133334      2.513774
  C      -8.223562      2.403315      1.548524
  N      -8.563594      1.559525      0.619279
  C      -7.949429      0.334452      0.631536
  C      -8.306402     -0.611116     -0.354233
  C      -7.702868     -1.852717     -0.366537
  C      -6.727258     -2.195440      0.599232
  C      -6.358177     -1.293384      1.574496
  C      -6.959616     -0.010253      1.612491
  C      -4.527979      6.941646      5.725499
  C      -3.922931      7.764132      4.577685
  C      -3.631842      6.959405      3.314178
  C      -4.838270      6.449016      2.569652
  N      -6.042654      6.831674      2.969573
  C      -7.118348      6.314903      2.318353
  N      -7.118673      5.457283      1.317312
  C      -5.887266      5.076108      0.854852
  C      -5.805578      4.175023     -0.235329
  C      -4.573042      3.789945     -0.723595
  C      -3.382068      4.290951     -0.148802
  C      -3.435240      5.161964      0.921098
  C      -4.684816      5.565927      1.451519
  C      -5.825236      1.914429      7.515913
  C      -6.959770      2.609753      8.274446
  C      -8.257150      1.772969      8.270879
  C      -8.800400      1.549220      6.886070
  N      -8.530752      0.378972      6.309874
  C      -8.976055      0.189734      5.040337
  N      -9.648267      1.034034      4.283141
  C      -9.944514      2.242476      4.852398
  C     -10.659741      3.202293      4.096345
  C     -10.951394      4.434352      4.644042
  C     -10.551657      4.749154      5.963983
  C      -9.860420      3.828718      6.724703
  C      -9.535548      2.557858      6.187345
  H      -2.910274      2.541283      2.355094
  H      -4.535502      3.082860      2.764246
  H      -3.487031      0.378439      3.748789
  H      -4.094535      0.555138      2.102462
  H      -5.727102     -0.242349      4.064276
  H      -5.789793      1.471349      4.480687
  H      -8.656202      3.403382      1.590449
  H      -9.063498     -0.329598     -1.086308
  H      -7.981671     -2.583390     -1.127145
  H      -6.267454     -3.183785      0.571334
  H      -5.608229     -1.566250      2.316402
  H      -5.524718      6.593321      5.430953
  H      -4.662738      7.614193      6.595252
  H      -2.986435      8.238376      4.909319
  H      -4.626342      8.578371      4.349249
  H      -3.035111      7.570005      2.614289
  H      -2.993051      6.093198      3.561800
  H      -8.094140      6.644124      2.688613
  H      -6.734883      3.818463     -0.682401
  H      -4.514092      3.103739     -1.570160
  H      -2.417249      3.986412     -0.557108
  H      -2.512831      5.541056      1.361683
  H      -5.583343      0.952347      8.005452
  H      -6.188565      1.657056      6.510678
  H      -6.659280      2.795129      9.317344
  H      -7.138311      3.590825      7.807830
  H      -8.060295      0.786003      8.712948
  H      -9.010028      2.275204      8.895701
  H      -8.734655     -0.781633      4.595947
  H     -10.974880      2.932649      3.087121
  H     -11.503208      5.172946      4.060237
  H     -10.796927      5.726543      6.381610
  H      -9.561837      4.080569      7.742420
  N      -5.901639      4.011841      5.026810
  N      -6.942181      4.038582      4.503084
  H      -7.126818      2.884244      3.251916
98
Coordinates from ORCA-job orca E -6258.400002679254
  N      -3.231399      2.936669      4.389141
  Mo     -4.185014      3.881526      5.858445
  N      -4.615737      2.718886      7.391643
  C      -3.623668      2.580251      8.455246
  C      -2.244703      2.571566      7.805157
  N      -2.172133      3.689613      6.825524
  C      -1.225559      3.413666      5.712167
  C      -1.872857      2.476641      4.702162
  C      -1.889468      4.981412      7.508071
  C      -2.421384      6.131946      6.671664
  N      -3.744887      5.784986      6.157729
  H      -1.247146      2.463298      3.790273
  H      -1.872197      1.438531      5.090288
  H      -1.013296      4.375385      5.224045
  H      -0.275972      3.005015      6.099276
  H      -2.478375      7.037522      7.303332
  H      -1.718914      6.375039      5.850137
  H      -2.422631      4.959810      8.467976
  H      -0.810115      5.082706      7.714542
  H      -3.771901      1.634094      9.003493
  H      -3.701221      3.392363      9.201620
  H      -2.122614      1.633772      7.246653
  H      -1.426130      2.650501      8.541574
  C      -3.714960      2.440351      3.108272
  C      -4.171925      0.968839      3.119366
  C      -5.614114      0.770938      3.654350
  C      -6.642063      0.967445      2.590313
  N      -7.291620      2.133946      2.514074
  C      -8.226691      2.403992      1.548937
  N      -8.566319      1.560485      0.619295
  C      -7.951768      0.335591      0.631097
  C      -8.308378     -0.609674     -0.355094
  C      -7.704593     -1.851151     -0.367753
  C      -6.729086     -2.194039      0.598063
  C      -6.360307     -1.292242      1.573683
  C      -6.961988     -0.009237      1.612023
  C      -4.529552      6.942132      5.724157
  C      -3.923947      7.765529      4.577278
  C      -3.629953      6.961410      3.314045
  C      -4.834557      6.448666      2.568258
  N      -6.040068      6.829578      2.966471
  C      -7.114086      6.310734      2.314146
  N      -7.111754      5.452231      1.313860
  C      -5.879165      5.072669      0.853220
  C      -5.794600      4.170624     -0.235952
  C      -4.560806      3.787528     -0.722597
  C      -3.371403      4.291528     -0.147178
  C      -3.427356      5.163359      0.921916
  C      -4.678270      5.565233      1.450775
  C      -5.825045      1.914310      7.515702
  C      -6.959452      2.608542      8.275421
  C      -8.256287      1.770907      8.272487
  C      -8.800647      1.547810      6.888022
  N      -8.530688      0.378214      6.310653
  C      -8.977011      0.189671      5.041372
  N      -9.650501      1.034103      4.285458
  C      -9.947173      2.241851      4.855984
  C     -10.664029      3.201663      4.101481
  C     -10.956218      4.433007      4.650497
  C     -10.555358      4.747090      5.970268
  C      -9.862563      3.826620      6.729522
  C      -9.537201      2.556456      6.190805
  H      -2.912905      2.541362      2.353851
  H      -4.537948      3.083227      2.763356
  H      -3.489556      0.378905      3.748251
  H      -4.097314      0.555397      2.101987
  H      -5.729661     -0.241629      4.064082
  H      -5.792091      1.472095      4.480412
  H      -8.659601      3.403896      1.591112
  H      -9.065421     -0.328046     -1.087181
  H      -7.983132     -2.581604     -1.128668
  H      -6.269119     -3.182299      0.569910
  H      -5.610423     -1.565226      2.315610
  H      -5.525853      6.593451      5.428566
  H      -4.665407      7.614207      6.594112
  H      -2.988579      8.241052      4.910257
  H      -4.628188      8.578796      4.347956
  H      -3.033804      7.573323      2.614789
  H      -2.989625      6.096532      3.562196
  H      -8.090872      6.638796      2.682815
  H      -6.722737      3.811802     -0.683632
  H      -4.499637      3.100609     -1.568426
  H      -2.405583      3.988601     -0.554316
  H      -2.506113      5.544769      1.362967
  H      -5.582281      0.952128      8.004624
  H      -6.188866      1.657208      6.510585
  H      -6.658239      2.793546      9.318180
  H      -7.138994      3.589744      7.809461
  H      -8.058403      0.783774      8.713725
  H      -9.008912      2.272237      8.898335
  H      -8.735428     -0.781244      4.596062
  H     -10.979855      2.932621      3.092307
  H     -11.509301      5.171585      4.067876
  H     -10.801024      5.723930      6.388945
  H      -9.563139      4.077909      7.747131
  N      -5.903527      4.012000      5.026995
  N      -6.944492      4.038628      4.504109
  H      -7.129923      2.884620      3.252444
98
Coordinates from ORCA-job orca E -6258.399917446871
  N      -3.227959      2.936515      4.397484
  Mo     -4.180661      3.886356      5.864097
  N      -4.613929      2.728301      7.400178
  C      -3.623236      2.592539      8.465382
  C      -2.243840      2.578891      7.816437
  N      -2.168582      3.693093      6.832773
  C      -1.222043      3.410951      5.720869
  C      -1.871284      2.472842      4.713009
  C      -1.883381      4.986557      7.511189
  C      -2.412440      6.135376      6.670722
  N      -3.736770      5.789758      6.157874
  H      -1.244762      2.455116      3.801752
  H      -1.874241      1.435782      5.103942
  H      -1.006695      4.370586      5.230023
  H      -0.273919      3.000753      6.109906
  H      -2.467315      7.043475      7.298909
  H      -1.709265      6.373510      5.848369
  H      -2.417076      4.969265      8.470889
  H      -0.803908      5.086118      7.717852
  H      -3.773386      1.648771      9.017203
  H      -3.700237      3.407737      9.208443
  H      -2.123030      1.638786      7.261551
  H      -1.425648      2.659142      8.553131
  C      -3.711284      2.442375      3.115631
  C      -4.180453      0.974780      3.126824
  C      -5.626654      0.791341      3.655861
  C      -6.648427      0.998780      2.587946
  N      -7.282824      2.173349      2.507294
  C      -8.211196      2.453345      1.538540
  N      -8.558269      1.612510      0.609217
  C      -7.959158      0.380059      0.625201
  C      -8.324036     -0.562311     -0.360746
  C      -7.735413     -1.811076     -0.369569
  C      -6.767379     -2.164385      0.600005
  C      -6.390906     -1.265719      1.575574
  C      -6.976985      0.024610      1.610027
  C      -4.517231      6.947457      5.717982
  C      -3.907249      7.762919      4.567715
  C      -3.618194      6.952343      3.307473
  C      -4.825866      6.446977      2.561440
  N      -6.029107      6.836297      2.958306
  C      -7.106058      6.324173      2.305468
  N      -7.108686      5.465158      1.305625
  C      -5.878255      5.077312      0.846138
  C      -5.798930      4.174664     -0.242942
  C      -4.567373      3.782472     -0.727995
  C      -3.375061      4.278011     -0.151237
  C      -3.426009      5.150843      0.917291
  C      -4.674602      5.561851      1.444635
  C      -5.822082      1.922013      7.524855
  C      -6.960411      2.617987      8.277117
  C      -8.252103      1.772350      8.284723
  C      -8.793611      1.524706      6.903353
  N      -8.517424      0.347081      6.345552
  C      -8.962603      0.134944      5.079634
  N      -9.640102      0.963241      4.309563
  C      -9.943059      2.178848      4.859816
  C     -10.664457      3.122352      4.089224
  C     -10.963718      4.360896      4.617848
  C     -10.565578      4.698721      5.932574
  C      -9.868347      3.794583      6.707238
  C      -9.535659      2.517587      6.189538
  H      -2.906279      2.536620      2.363454
  H      -4.528305      3.091209      2.767762
  H      -3.505993      0.379919      3.759577
  H      -4.105302      0.559122      2.110384
  H      -5.754323     -0.220013      4.065040
  H      -5.800622      1.494239      4.481277
  H      -8.631016      3.459078      1.576864
  H      -9.075105     -0.272537     -1.095801
  H      -8.020263     -2.539196     -1.130389
  H      -6.319362     -3.158202      0.574807
  H      -5.646916     -1.546752      2.320425
  H      -5.514510      6.600876      5.423204
  H      -4.651387      7.624332      6.584431
  H      -2.968988      8.234018      4.898818
  H      -4.606476      8.579643      4.335264
  H      -3.015945      7.556943      2.607138
  H      -2.985455      6.082919      3.559511
  H      -8.080926      6.658594      2.673451
  H      -6.729137      3.822351     -0.691489
  H      -4.510132      3.094878     -1.573552
  H      -2.410955      3.967934     -0.557051
  H      -2.502595      5.525915      1.359163
  H      -5.578625      0.963334      8.020246
  H      -6.182377      1.658128      6.520244
  H      -6.660196      2.816717      9.317628
  H      -7.145809      3.592738      7.800047
  H      -8.048413      0.793035      8.740519
  H      -9.008510      2.277845      8.902622
  H      -8.716686     -0.842464      4.651099
  H     -10.978347      2.835088      3.084477
  H     -11.520305      5.086838      4.022816
  H     -10.816824      5.680945      6.335027
  H      -9.570997      4.064029      7.720802
  N      -5.898492      4.017596      5.031370
  N      -6.939128      4.044672      4.507829
  H      -7.121709      2.894557      3.251910
98
Coordinates from ORCA-job orca E -6258.399962179504
  N      -3.233580      2.937371      4.405644
  Mo     -4.177659      3.894243      5.873110
  N      -4.612747      2.741792      7.412915
  C      -3.620717      2.603355      8.476380
  C      -2.243133      2.580540      7.824050
  N      -2.164269      3.691981      6.837684
  C      -1.222038      3.402289      5.724169
  C      -1.878977      2.466359      4.719134
  C      -1.870714      4.984999      7.513021
  C      -2.395535      6.135197      6.672041
  N      -3.722540      5.795942      6.161811
  H      -1.254375      2.443665      3.806688
  H      -1.887179      1.429919      5.111675
  H      -1.002319      4.359784      5.231050
  H      -0.275372      2.987350      6.111729
  H      -2.444779      7.044370      7.299160
  H      -1.692400      6.368630      5.848303
  H      -2.402373      4.972142      8.473931
  H      -0.790312      5.079326      7.717225
  H      -3.774701      1.661590      9.030527
  H      -3.691729      3.420649      9.217736
  H      -2.129016      1.638606      7.270847
  H      -1.422591      2.657849      8.558467
  C      -3.720670      2.446593      3.123831
  C      -4.201029      0.982495      3.134853
  C      -5.652210      0.810716      3.654161
  C      -6.663754      1.019345      2.576653
  N      -7.287539      2.198610      2.482222
  C      -8.205334      2.479450      1.503546
  N      -8.551065      1.635168      0.576927
  C      -7.962271      0.397996      0.606557
  C      -8.325962     -0.547914     -0.376424
  C      -7.747590     -1.801471     -0.371657
  C      -6.791221     -2.156119      0.608962
  C      -6.416057     -1.253993      1.581811
  C      -6.991775      0.041315      1.602432
  C      -4.494399      6.957535      5.716944
  C      -3.877212      7.763969      4.564121
  C      -3.596814      6.947115      3.305853
  C      -4.810164      6.456178      2.559602
  N      -6.008801      6.858202      2.957698
  C      -7.091647      6.359724      2.304195
  N      -7.104284      5.504367      1.301364
  C      -5.878529      5.103553      0.840621
  C      -5.809958      4.203308     -0.251104
  C      -4.583152      3.796672     -0.736352
  C      -3.385067      4.275462     -0.157419
  C      -3.425636      5.146449      0.913112
  C      -4.669272      5.571801      1.440832
  C      -5.820073      1.934045      7.537362
  C      -6.962471      2.631922      8.281555
  C      -8.249545      1.779531      8.299417
  C      -8.785904      1.506314      6.920815
  N      -8.498460      0.322482      6.382233
  C      -8.939973      0.086020      5.119415
  N      -9.624071      0.895571      4.335377
  C      -9.938320      2.117237      4.865581
  C     -10.666956      3.041859      4.079027
  C     -10.977636      4.286155      4.587183
  C     -10.583905      4.648844      5.896600
  C      -9.879871      3.763435      6.686644
  C      -9.535853      2.480998      6.190237
  H      -2.914283      2.534333      2.372402
  H      -4.532287      3.101489      2.774611
  H      -3.534946      0.383846      3.772847
  H      -4.122893      0.564566      2.119564
  H      -5.789583     -0.198002      4.066667
  H      -5.828343      1.518394      4.474976
  H      -8.616890      3.488968      1.530986
  H      -9.068016     -0.256999     -1.120130
  H      -8.031561     -2.532346     -1.130165
  H      -6.351201     -3.153721      0.594432
  H      -5.681070     -1.536105      2.335155
  H      -5.494026      6.617452      5.422549
  H      -4.624159      7.638546      6.580802
  H      -2.934227      8.226679      4.893650
  H      -4.568128      8.587160      4.329628
  H      -2.986043      7.542077      2.604711
  H      -2.975506      6.070298      3.561047
  H      -8.062469      6.704021      2.673740
  H      -6.744356      3.863947     -0.700986
  H      -4.534114      3.110550     -1.583615
  H      -2.424663      3.954090     -0.563232
  H      -2.497784      5.508914      1.356200
  H      -5.576386      0.978933      8.039490
  H      -6.176025      1.663090      6.533142
  H      -6.663478      2.843689      9.319876
  H      -7.152827      3.600454      7.793866
  H      -8.042060      0.808718      8.771396
  H      -9.010232      2.290853      8.907096
  H      -8.685254     -0.896253      4.707336
  H     -10.977014      2.735699      3.078673
  H     -11.539702      4.997416      3.979700
  H     -10.843742      5.635395      6.282676
  H      -9.585676      4.052117      7.695813
  N      -5.897300      4.035198      5.045344
  N      -6.938559      4.072691      4.523721
  H      -7.126474      2.933569      3.257591
98
Coordinates from ORCA-job orca E -6258.391121217049
  N      -3.270127      2.915626      4.422833
  Mo     -4.183596      3.899193      5.891785
  N      -4.622529      2.761744      7.440901
  C      -3.625324      2.614038      8.497985
  C      -2.253657      2.563879      7.833312
  N      -2.165084      3.668764      6.840403
  C      -1.237648      3.361942      5.718849
  C      -1.917676      2.430594      4.724739
  C      -1.845439      4.958194      7.509742
  C      -2.357703      6.113399      6.669760
  N      -3.693745      5.794280      6.170403
  H      -1.303152      2.393007      3.806010
  H      -1.935339      1.397056      5.124534
  H      -1.009706      4.314280      5.219471
  H      -0.293113      2.935367      6.098878
  H      -2.387599      7.025143      7.294377
  H      -1.657072      6.332645      5.840043
  H      -2.369898      4.956414      8.474663
  H      -0.762159      5.035882      7.705485
  H      -3.789938      1.677791      9.058291
  H      -3.677297      3.436392      9.235326
  H      -2.160233      1.617133      7.284382
  H      -1.425438      2.631419      8.560094
  C      -3.782714      2.409060      3.157498
  C      -4.249423      0.939032      3.190610
  C      -5.680183      0.744625      3.758848
  C      -6.728538      0.958980      2.719286
  N      -7.354522      2.139030      2.663855
  C      -8.288902      2.445093      1.707809
  N      -8.658028      1.617022      0.775308
  C      -8.075414      0.375959      0.771555
  C      -8.465428     -0.551023     -0.219219
  C      -7.888137     -1.804660     -0.253286
  C      -6.905475     -2.177630      0.693986
  C      -6.503758     -1.294101      1.673248
  C      -7.079985     -0.000411      1.735162
  C      -4.448645      6.969934      5.733256
  C      -3.819291      7.776676      4.587295
  C      -3.553742      6.973852      3.316837
  C      -4.773933      6.529471      2.553048
  N      -5.966147      6.940944      2.960443
  C      -7.054839      6.492826      2.280741
  N      -7.077970      5.692488      1.233633
  C      -5.857839      5.285762      0.762742
  C      -5.799328      4.444719     -0.376012
  C      -4.578000      4.026752     -0.865504
  C      -3.375314      4.435947     -0.244655
  C      -3.406491      5.252564      0.868082
  C      -4.644335      5.688368      1.400185
  C      -5.832023      1.959000      7.564073
  C      -6.989506      2.668606      8.271176
  C      -8.264506      1.800914      8.273331
  C      -8.728716      1.471646      6.881794
  N      -8.361917      0.289407      6.391189
  C      -8.713688      0.006667      5.110583
  N      -9.384850      0.767044      4.268021
  C      -9.785676      1.983606      4.750290
  C     -10.511623      2.854428      3.902272
  C     -10.903444      4.095589      4.359612
  C     -10.596196      4.508078      5.677420
  C      -9.898204      3.674806      6.527344
  C      -9.473947      2.396690      6.085139
  H      -2.994186      2.494802      2.387005
  H      -4.605669      3.056009      2.820509
  H      -3.555361      0.349154      3.806588
  H      -4.199360      0.520317      2.173856
  H      -5.792867     -0.269989      4.163644
  H      -5.835659      1.440972      4.593553
  H      -8.684507      3.462855      1.751227
  H      -9.225459     -0.245479     -0.938515
  H      -8.192155     -2.520823     -1.018029
  H      -6.466023     -3.174573      0.648258
  H      -5.748392     -1.590092      2.400640
  H      -5.454632      6.648574      5.439339
  H      -4.565068      7.646981      6.602141
  H      -2.867799      8.217566      4.922177
  H      -4.493975      8.616329      4.364120
  H      -2.925165      7.566452      2.629739
  H      -2.955050      6.077341      3.558238
  H      -8.020965      6.837573      2.662361
  H      -6.735315      4.159817     -0.858740
  H      -4.536796      3.386185     -1.748114
  H      -2.418733      4.106368     -0.652926
  H      -2.475793      5.562606      1.342749
  H      -5.596693      1.012452      8.085907
  H      -6.171185      1.669853      6.558947
  H      -6.716385      2.907638      9.310731
  H      -7.176568      3.622933      7.755060
  H      -8.059621      0.849345      8.783987
  H      -9.057523      2.318471      8.832015
  H      -8.382494     -0.967815      4.737143
  H     -10.752089      2.510484      2.895054
  H     -11.462322      4.765760      3.704282
  H     -10.918745      5.491337      6.022476
  H      -9.672902      4.001344      7.542728
  N      -5.906823      4.086810      5.078630
  N      -6.948052      4.166463      4.560316
  H      -7.180303      3.072652      3.257285
98
Coordinates from ORCA-job orca E -6258.400148395547
  N      -3.245339      2.952736      4.395557
  Mo     -4.182783      3.905029      5.869829
  N      -4.615449      2.747093      7.406520
  C      -3.619891      2.602841      8.466128
  C      -2.244427      2.579465      7.809275
  N      -2.166610      3.694855      6.827146
  C      -1.228475      3.409100      5.709228
  C      -1.889971      2.478977      4.701960
  C      -1.868670      4.984644      7.506966
  C      -2.392568      6.138913      6.671048
  N      -3.721522      5.804891      6.162293
  H      -1.268524      2.459770      3.787286
  H      -1.897987      1.440707      5.089583
  H      -1.009341      4.368671      5.219917
  H      -0.280990      2.991219      6.091576
  H      -2.437834      7.046518      7.300759
  H      -1.690634      6.372616      5.846398
  H      -2.398006      4.969283      8.469068
  H      -0.787560      5.075795      7.708851
  H      -3.774055      1.659653      9.017673
  H      -3.686594      3.417866      9.210262
  H      -2.134157      1.639339      7.252179
  H      -1.421292      2.652242      8.541273
  C      -3.740854      2.462485      3.116823
  C      -4.212172      0.996067      3.129652
  C      -5.654679      0.811693      3.668867
  C      -6.684742      1.019576      2.608468
  N      -7.324099      2.192668      2.531111
  C      -8.256661      2.467616      1.564825
  N      -8.606747      1.624422      0.638738
  C      -8.003600      0.394221      0.652808
  C      -8.370646     -0.550497     -0.329967
  C      -7.776426     -1.796572     -0.341626
  C      -6.800340     -2.144343      0.621754
  C      -6.421733     -1.242947      1.594030
  C      -7.013988      0.044398      1.631663
  C      -4.488968      6.969844      5.718775
  C      -3.862471      7.777978      4.571962
  C      -3.574024      6.959479      3.316863
  C      -4.783502      6.471272      2.563574
  N      -5.983036      6.875289      2.957044
  C      -7.064139      6.377262      2.300657
  N      -7.074177      5.519492      1.300159
  C      -5.847399      5.115587      0.844875
  C      -5.777490      4.209522     -0.241559
  C      -4.549970      3.799248     -0.721890
  C      -3.352617      4.280140     -0.142880
  C      -3.394373      5.156136      0.923614
  C      -4.639256      5.584500      1.446949
  C      -5.818938      1.931833      7.525393
  C      -6.966186      2.624792      8.267009
  C      -8.253805      1.771673      8.286659
  C      -8.788398      1.486236      6.909387
  N      -8.500927      0.297951      6.380610
  C      -8.939330      0.052328      5.118200
  N      -9.619178      0.857227      4.325566
  C      -9.933877      2.083084      4.845709
  C     -10.660572      3.002071      4.050422
  C     -10.971526      4.250480      4.548419
  C     -10.579964      4.622842      5.855724
  C      -9.878364      3.742990      6.654125
  C      -9.534630      2.456307      6.168751
  H      -2.941520      2.556438      2.358507
  H      -4.559248      3.113506      2.776109
  H      -3.533076      0.400350      3.756618
  H      -4.145087      0.580961      2.112422
  H      -5.777996     -0.201373      4.074848
  H      -5.823863      1.511088      4.498200
  H      -8.678131      3.471472      1.603286
  H      -9.127564     -0.264675     -1.060560
  H      -8.062716     -2.526625     -1.100045
  H      -6.347766     -3.136044      0.594464
  H      -5.671469     -1.519770      2.334168
  H      -5.487380      6.632388      5.417251
  H      -4.622565      7.648279      6.584118
  H      -2.921140      8.239195      4.908207
  H      -4.550834      8.602103      4.333317
  H      -2.954483      7.550019      2.619663
  H      -2.959305      6.080188      3.579207
  H      -8.035739      6.727047      2.662632
  H      -6.711652      3.867788     -0.690358
  H      -4.499688      3.108745     -1.565505
  H      -2.391692      3.956188     -0.545386
  H      -2.466274      5.520589      1.365821
  H      -5.572802      0.977310      8.027295
  H      -6.169564      1.660225      6.519444
  H      -6.668081      2.838617      9.305121
  H      -7.158978      3.592365      7.778451
  H      -8.049148      0.805057      8.768394
  H      -9.015668      2.289261      8.887643
  H      -8.685795     -0.933732      4.714508
  H     -10.969372      2.688058      3.052184
  H     -11.532285      4.957352      3.934622
  H     -10.839788      5.612528      6.233686
  H      -9.586371      4.039493      7.661743
  N      -5.903962      4.047172      5.045824
  N      -6.946383      4.084704      4.526657
  H      -7.120914      2.955774      3.249046
98
Coordinates from ORCA-job orca E -6258.396323105502
  N      -3.232378      2.956537      4.405178
  Mo     -4.180151      3.913533      5.871688
  N      -4.615171      2.758992      7.410523
  C      -3.623505      2.622738      8.475131
  C      -2.244910      2.600300      7.824977
  N      -2.166220      3.711535      6.838487
  C      -1.222463      3.423443      5.726436
  C      -1.877478      2.487690      4.721141
  C      -1.871569      5.004620      7.513361
  C      -2.392932      6.152918      6.668642
  N      -3.720438      5.813786      6.160098
  H      -1.251614      2.465129      3.809517
  H      -1.885019      1.451302      5.113673
  H      -1.002849      4.381342      5.234173
  H      -0.276059      3.008856      6.114939
  H      -2.440100      7.064651      7.292153
  H      -1.689536      6.381331      5.843795
  H      -2.404438      4.993925      8.473531
  H      -0.791205      5.097460      7.718503
  H      -3.777137      1.681976      9.030832
  H      -3.696029      3.441218      9.214818
  H      -2.129215      1.657860      7.272857
  H      -1.425345      2.678972      8.560367
  C      -3.710028      2.460847      3.122578
  C      -4.165219      0.989044      3.128365
  C      -5.607501      0.801935      3.659683
  C      -6.625663      1.045759      2.598632
  N      -7.198407      2.250960      2.518096
  C      -8.114416      2.576547      1.552329
  N      -8.511785      1.749873      0.630162
  C      -7.972388      0.489546      0.643308
  C      -8.387914     -0.434465     -0.339759
  C      -7.857252     -1.708970     -0.353297
  C      -6.898773     -2.106710      0.608451
  C      -6.474420     -1.226928      1.581716
  C      -7.000678      0.088639      1.620805
  C      -4.492790      6.972784      5.709607
  C      -3.880122      7.765054      4.545068
  C      -3.600994      6.929120      3.298855
  C      -4.812505      6.423928      2.557723
  N      -6.013609      6.830172      2.944187
  C      -7.092561      6.322516      2.290599
  N      -7.099100      5.454315      1.298454
  C      -5.870375      5.047602      0.850281
  C      -5.793863      4.135185     -0.231319
  C      -4.563646      3.722378     -0.702269
  C      -3.369989      4.206190     -0.118818
  C      -3.418601      5.089731      0.940764
  C      -4.665426      5.523234      1.452960
  C      -5.816025      1.940651      7.528432
  C      -6.967344      2.626363      8.269399
  C      -8.243941      1.758679      8.281171
  C      -8.767015      1.474559      6.900049
  N      -8.459532      0.293710      6.366590
  C      -8.885847      0.049466      5.099785
  N      -9.574258      0.848715      4.308493
  C      -9.914752      2.064490      4.836501
  C     -10.661984      2.972293      4.047741
  C     -11.000322      4.210364      4.553697
  C     -10.617312      4.582330      5.863536
  C      -9.897772      3.712289      6.656545
  C      -9.525891      2.436749      6.162700
  H      -2.904608      2.563219      2.371949
  H      -4.530957      3.104532      2.774736
  H      -3.486323      0.394637      3.756892
  H      -4.091070      0.578955      2.109615
  H      -5.744685     -0.214383      4.052631
  H      -5.771855      1.494008      4.496078
  H      -8.481138      3.603184      1.588879
  H      -9.130134     -0.110008     -1.069308
  H      -8.181053     -2.422873     -1.111993
  H      -6.497053     -3.120028      0.579611
  H      -5.739002     -1.542398      2.321172
  H      -5.493536      6.630055      5.422081
  H      -4.619245      7.662128      6.567349
  H      -2.937071      8.233575      4.865821
  H      -4.573130      8.583595      4.300989
  H      -2.989005      7.512936      2.589498
  H      -2.980572      6.055698      3.567373
  H      -8.065832      6.673750      2.647168
  H      -6.724057      3.792439     -0.686691
  H      -4.508375      3.027293     -1.541808
  H      -2.406613      3.878849     -0.512620
  H      -2.494751      5.454618      1.388692
  H      -5.566599      0.986168      8.028547
  H      -6.165093      1.669063      6.521689
  H      -6.673755      2.840596      9.308693
  H      -7.167349      3.592814      7.781651
  H      -8.026352      0.791916      8.756909
  H      -9.014970      2.261487      8.883064
  H      -8.614854     -0.930097      4.691943
  H     -10.963754      2.657860      3.047451
  H     -11.576627      4.908835      3.944683
  H     -10.899439      5.563251      6.248315
  H      -9.615410      4.007476      7.667358
  N      -5.905036      4.074861      5.056729
  N      -6.952135      4.124573      4.545736
  H      -7.217559      2.976969      3.306141
98
Coordinates from ORCA-job orca E -6258.399015190644
  N      -3.238567      2.930362      4.430605
  Mo     -4.169409      3.900411      5.896968
  N      -4.610231      2.755061      7.440231
  C      -3.619162      2.614393      8.504492
  C      -2.242243      2.576809      7.850216
  N      -2.155423      3.682669      6.858080
  C      -1.218952      3.379524      5.743090
  C      -1.888075      2.446674      4.742790
  C      -1.848351      4.975244      7.528012
  C      -2.364065      6.127132      6.684435
  N      -3.695399      5.798817      6.177766
  H      -1.265733      2.413284      3.829130
  H      -1.906295      1.412130      5.139930
  H      -0.990929      4.332945      5.245918
  H      -0.275601      2.956319      6.129704
  H      -2.403543      7.038974      7.308265
  H      -1.660301      6.350448      5.858516
  H      -2.378439      4.970264      8.489816
  H      -0.766799      5.060302      7.730070
  H      -3.779930      1.676848      9.063486
  H      -3.683292      3.436196      9.241255
  H      -2.137134      1.631139      7.301514
  H      -1.419719      2.650766      8.582816
  C      -3.737616      2.437538      3.154058
  C      -4.233021      0.978232      3.178680
  C      -5.679732      0.823715      3.717202
  C      -6.705594      1.039815      2.654643
  N      -7.297986      2.234856      2.548129
  C      -8.226773      2.521033      1.580804
  N      -8.617224      1.666333      0.681783
  C      -8.061543      0.414181      0.725073
  C      -8.472707     -0.541453     -0.229176
  C      -7.927587     -1.809707     -0.211067
  C      -6.958540     -2.169533      0.755026
  C      -6.537947     -1.258164      1.700359
  C      -7.078429      0.052355      1.706418
  C      -4.455382      6.967908      5.731162
  C      -3.830232      7.767127      4.577645
  C      -3.567471      6.953155      3.313493
  C      -4.789895      6.502711      2.555961
  N      -5.981331      6.917542      2.962423
  C      -7.071355      6.468765      2.285281
  N      -7.097076      5.658388      1.245932
  C      -5.877965      5.247455      0.776144
  C      -5.822303      4.399827     -0.357954
  C      -4.602211      3.978651     -0.847617
  C      -3.398194      4.391089     -0.231479
  C      -3.426598      5.214182      0.876578
  C      -4.662963      5.654833      1.407878
  C      -5.813848      1.940413      7.552309
  C      -6.977960      2.636832      8.261673
  C      -8.252479      1.767505      8.258464
  C      -8.727342      1.448092      6.867518
  N      -8.385598      0.260495      6.371286
  C      -8.759870     -0.016197      5.094963
  N      -9.427988      0.756631      4.261255
  C      -9.803843      1.978511      4.750030
  C     -10.532546      2.859219      3.914454
  C     -10.904643      4.103429      4.380167
  C     -10.574572      4.509225      5.694382
  C      -9.874314      3.666072      6.532574
  C      -9.469882      2.384584      6.081545
  H      -2.935691      2.513704      2.396741
  H      -4.545031      3.098139      2.806503
  H      -3.565565      0.377681      3.813431
  H      -4.171136      0.552316      2.165563
  H      -5.822505     -0.181980      4.134797
  H      -5.836935      1.535815      4.537966
  H      -8.605235      3.544704      1.590268
  H      -9.223736     -0.246066     -0.962040
  H      -8.248136     -2.548159     -0.947327
  H      -6.545344     -3.178635      0.751694
  H      -5.794011     -1.544702      2.443115
  H      -5.459722      6.639562      5.439376
  H      -4.575464      7.651160      6.594524
  H      -2.878703      8.212637      4.906147
  H      -4.506893      8.603617      4.348990
  H      -2.938512      7.537982      2.620243
  H      -2.969988      6.057841      3.562635
  H      -8.036664      6.815101      2.667462
  H      -6.759924      4.113563     -0.836572
  H      -4.562864      3.332455     -1.726182
  H      -2.442649      4.057531     -0.638903
  H      -2.495022      5.524488      1.348750
  H      -5.573688      0.992159      8.068531
  H      -6.147229      1.655969      6.543918
  H      -6.706010      2.867457      9.303413
  H      -7.168289      3.595309      7.754631
  H      -8.048626      0.812727      8.763608
  H      -9.042762      2.283686      8.822667
  H      -8.460344     -1.000444      4.719154
  H     -10.792855      2.519542      2.910744
  H     -11.466230      4.780713      3.734611
  H     -10.881947      5.494827      6.046421
  H      -9.632404      3.987171      7.545953
  N      -5.889740      4.057438      5.073156
  N      -6.931060      4.110663      4.552440
  H      -7.153712      2.930283      3.332110
98
Coordinates from ORCA-job orca E -6258.398209221357
  N      -3.280359      2.959355      4.403349
  Mo     -4.197138      3.932366      5.875372
  N      -4.629291      2.793586      7.427726
  C      -3.624896      2.652178      8.479581
  C      -2.255165      2.606564      7.812039
  N      -2.175619      3.712225      6.819856
  C      -1.248819      3.409882      5.696524
  C      -1.926171      2.476997      4.701764
  C      -1.862098      5.004585      7.488458
  C      -2.380171      6.156465      6.645765
  N      -3.714593      5.830639      6.146354
  H      -1.312549      2.445879      3.782112
  H      -1.939173      1.441774      5.097262
  H      -1.025617      4.363898      5.198299
  H      -0.301743      2.986865      6.074211
  H      -2.412763      7.070734      7.266636
  H      -1.680742      6.375057      5.814863
  H      -2.385494      5.001269      8.453882
  H      -0.778942      5.087700      7.682846
  H      -3.783868      1.717626      9.044188
  H      -3.676565      3.476939      9.213968
  H      -2.158262      1.659651      7.263962
  H      -1.425667      2.679132      8.536840
  C      -3.791387      2.475943      3.126762
  C      -4.270331      1.009328      3.116998
  C      -5.716594      0.785125      3.642010
  C      -6.741461      1.018795      2.580161
  N      -7.401494      2.183017      2.550488
  C      -8.301421      2.505202      1.565473
  N      -8.609187      1.707601      0.585408
  C      -7.997513      0.481026      0.559328
  C      -8.326991     -0.416212     -0.479387
  C      -7.716320     -1.653047     -0.539191
  C      -6.758777     -2.037460      0.428690
  C      -6.416447     -1.182481      1.454956
  C      -7.030268      0.091784      1.545718
  C      -4.469962      6.997105      5.687658
  C      -3.837155      7.783876      4.528896
  C      -3.542337      6.939814      3.293066
  C      -4.748187      6.422949      2.555941
  N      -5.949482      6.821054      2.949905
  C      -7.029252      6.286206      2.321486
  N      -7.035982      5.391679      1.354152
  C      -5.807867      4.992098      0.898358
  C      -5.737005      4.047778     -0.154122
  C      -4.508893      3.644949     -0.639453
  C      -3.312222      4.171273     -0.098953
  C      -3.354010      5.083763      0.936703
  C      -4.600293      5.504740      1.465317
  C      -5.832383      1.982653      7.569424
  C      -6.969732      2.680680      8.322502
  C      -8.246907      1.813882      8.370899
  C      -8.779473      1.498536      7.000899
  N      -8.454406      0.313750      6.488122
  C      -8.870922      0.043857      5.224417
  N      -9.567265      0.820291      4.417505
  C      -9.927935      2.039333      4.924386
  C     -10.678830      2.925975      4.115060
  C     -11.032407      4.169160      4.598037
  C     -10.658997      4.567853      5.902777
  C      -9.933931      3.719525      6.714208
  C      -9.547996      2.438918      6.245279
  H      -2.995217      2.570953      2.364860
  H      -4.605894      3.136938      2.795067
  H      -3.589620      0.401572      3.730494
  H      -4.197846      0.617537      2.090915
  H      -5.821993     -0.246215      4.003434
  H      -5.906213      1.445637      4.498679
  H      -8.725889      3.510827      1.630565
  H      -9.067177     -0.101452     -1.215233
  H      -7.973079     -2.346137     -1.341569
  H      -6.291104     -3.020210      0.361282
  H      -5.679731     -1.487039      2.197802
  H      -5.470547      6.662097      5.390559
  H      -4.599372      7.689644      6.542553
  H      -2.896897      8.252183      4.858378
  H      -4.525960      8.602413      4.272807
  H      -2.924929      7.516366      2.582343
  H      -2.923932      6.069914      3.576798
  H      -8.002416      6.636545      2.678376
  H      -6.671809      3.671466     -0.573730
  H      -4.457840      2.925419     -1.458390
  H      -2.351633      3.853096     -0.506881
  H      -2.424296      5.485221      1.346778
  H      -5.579066      1.033017      8.076775
  H      -6.196614      1.700266      6.571448
  H      -6.657023      2.908216      9.353275
  H      -7.177377      3.640715      7.825298
  H      -8.022066      0.857581      8.864041
  H      -9.011933      2.327647      8.971404
  H      -8.568282     -0.930646      4.829288
  H     -10.972309      2.591080      3.119086
  H     -11.612801      4.851010      3.974259
  H     -10.951746      5.552907      6.268514
  H      -9.657066      4.036650      7.719851
  N      -5.909859      4.080320      5.035665
  N      -6.944472      4.123454      4.502014
  H      -7.103046      2.947932      3.251098
98
Coordinates from ORCA-job orca E -6258.398896495381
  N      -3.218052      2.901831      4.415931
  Mo     -4.171190      3.871944      5.868432
  N      -4.629361      2.732234      7.412253
  C      -3.643890      2.589543      8.482132
  C      -2.262049      2.548805      7.840049
  N      -2.167095      3.658040      6.852812
  C      -1.215737      3.362540      5.749265
  C      -1.867855      2.427201      4.742108
  C      -1.870754      4.949822      7.528611
  C      -2.375637      6.100794      6.676998
  N      -3.699363      5.771692      6.151471
  H      -1.235794      2.398393      3.834898
  H      -1.883573      1.392273      5.138279
  H      -0.987144      4.318052      5.256493
  H      -0.274722      2.943724      6.146231
  H      -2.424312      7.013008      7.299622
  H      -1.660793      6.324517      5.860741
  H      -2.413738      4.943572      8.483107
  H      -0.792011      5.035661      7.744999
  H      -3.812197      1.654748      9.043526
  H      -3.709543      3.414032      9.215643
  H      -2.152825      1.603897      7.290869
  H      -1.446296      2.621248      8.580299
  C      -3.696813      2.397898      3.136492
  C      -4.148668      0.925619      3.150443
  C      -5.595256      0.717164      3.666954
  C      -6.607545      0.923973      2.590394
  N      -7.240378      2.099991      2.507648
  C      -8.148341      2.386398      1.520147
  N      -8.480609      1.549131      0.582038
  C      -7.885303      0.314694      0.604250
  C      -8.237135     -0.623703     -0.389824
  C      -7.648058     -1.872445     -0.396033
  C      -6.692269     -2.228980      0.584172
  C      -6.329415     -1.333931      1.568466
  C      -6.917652     -0.044719      1.601330
  C      -4.456058      6.944690      5.708137
  C      -3.820209      7.760022      4.570558
  C      -3.569868      6.965867      3.292464
  C      -4.807465      6.542783      2.546017
  N      -5.984234      6.970371      2.981092
  C      -7.095567      6.529425      2.335418
  N      -7.156202      5.699245      1.314136
  C      -5.953882      5.273248      0.816050
  C      -5.940606      4.395462     -0.294963
  C      -4.739017      3.969700     -0.824835
  C      -3.512716      4.406345     -0.271364
  C      -3.499300      5.250472      0.821487
  C      -4.716839      5.692130      1.396131
  C      -5.849062      1.943348      7.541314
  C      -6.976673      2.672306      8.280002
  C      -8.281401      1.846209      8.334472
  C      -8.839401      1.539078      6.971662
  N      -8.596612      0.326314      6.477781
  C      -9.061925      0.054031      5.230913
  N      -9.732012      0.852927      4.423881
  C     -10.004679      2.102661      4.910142
  C     -10.720370      3.015785      4.098246
  C     -10.990325      4.286808      4.562317
  C     -10.565745      4.688783      5.850273
  C      -9.873246      3.815667      6.663891
  C      -9.571528      2.506091      6.213347
  H      -2.890563      2.495246      2.386123
  H      -4.518030      3.038490      2.783329
  H      -3.470153      0.341122      3.788609
  H      -4.061296      0.508810      2.135406
  H      -5.709929     -0.301328      4.061350
  H      -5.787998      1.407344      4.499182
  H      -8.560184      3.396081      1.546800
  H      -8.977799     -0.330857     -1.134181
  H      -7.922454     -2.597487     -1.163613
  H      -6.242996     -3.222265      0.560560
  H      -5.595224     -1.617737      2.321989
  H      -5.457588      6.619646      5.403603
  H      -4.584320      7.618287      6.577971
  H      -2.864632      8.191830      4.905726
  H      -4.490816      8.605435      4.357080
  H      -2.939306      7.554033      2.603316
  H      -2.983053      6.059023      3.523328
  H      -8.047062      6.891880      2.736163
  H      -6.897614      4.088525     -0.720474
  H      -4.731615      3.301617     -1.687743
  H      -2.573103      4.071787     -0.713552
  H      -2.548770      5.580746      1.242832
  H      -5.622259      0.990099      8.054402
  H      -6.208901      1.667785      6.539915
  H      -6.662866      2.900701      9.310241
  H      -7.155525      3.634266      7.775274
  H      -8.090453      0.887284      8.836878
  H      -9.024519      2.393492      8.932622
  H      -8.840246     -0.950124      4.855010
  H     -11.057060      2.678502      3.116812
  H     -11.544292      4.988643      3.936758
  H     -10.792842      5.696229      6.201320
  H      -9.555467      4.135565      7.656526
  N      -5.879558      4.008961      5.016444
  N      -6.915767      4.037913      4.483444
  H      -7.094209      2.870636      3.224379
98
Coordinates from ORCA-job orca E -6258.399014502908
  N      -3.268753      2.993667      4.387959
  Mo     -4.198347      3.915948      5.885560
  N      -4.598790      2.734719      7.412604
  C      -3.591141      2.591223      8.461064
  C      -2.222650      2.591382      7.788559
  N      -2.168770      3.718381      6.817280
  C      -1.241569      3.453966      5.684773
  C      -1.905897      2.528657      4.674076
  C      -1.877267      5.005247      7.506217
  C      -2.423184      6.161287      6.686810
  N      -3.754210      5.816767      6.190325
  H      -1.294679      2.526000      3.752244
  H      -1.899618      1.485990      5.049489
  H      -1.037084      4.420936      5.203888
  H      -0.285707      3.040884      6.051161
  H      -2.470860      7.063043      7.324612
  H      -1.733377      6.409293      5.856177
  H      -2.395466      4.974967      8.473891
  H      -0.794991      5.106494      7.696874
  H      -3.728588      1.641353      9.005308
  H      -3.659379      3.398749      9.213139
  H      -2.108180      1.658670      7.219990
  H      -1.391949      2.665469      8.511892
  C      -3.770594      2.521360      3.106190
  C      -4.238702      1.055663      3.112321
  C      -5.672774      0.879223      3.671043
  C      -6.716424      1.093774      2.626639
  N      -7.332561      2.278876      2.550896
  C      -8.287233      2.561098      1.608539
  N      -8.685917      1.711353      0.708807
  C      -8.101573      0.471498      0.716793
  C      -8.515728     -0.477224     -0.242808
  C      -7.944292     -1.734028     -0.258065
  C      -6.945978     -2.088912      0.679484
  C      -6.522429     -1.184202      1.630024
  C      -7.088971      0.114661      1.669675
  C      -4.536185      6.971278      5.746164
  C      -3.924360      7.771810      4.587889
  C      -3.616839      6.940111      3.344011
  C      -4.805602      6.422526      2.572543
  N      -6.022008      6.813761      2.925567
  C      -7.075877      6.297880      2.237702
  N      -7.043666      5.438913      1.237495
  C      -5.798218      5.045380      0.825383
  C      -5.678032      4.140838     -0.259796
  C      -4.429599      3.740529     -0.691744
  C      -3.260603      4.228848     -0.064655
  C      -3.352407      5.105625      0.997597
  C      -4.617984      5.527380      1.469663
  C      -5.792358      1.905033      7.525344
  C      -6.948287      2.584235      8.263516
  C      -8.229731      1.723854      8.262097
  C      -8.733414      1.431026      6.874749
  N      -8.451262      0.232918      6.365356
  C      -8.861304     -0.019388      5.093985
  N      -9.509496      0.787761      4.277100
  C      -9.821779      2.021911      4.779549
  C     -10.525227      2.939531      3.962513
  C     -10.834749      4.195473      4.442289
  C     -10.465764      4.576530      5.753471
  C      -9.789439      3.697375      6.574012
  C      -9.448859      2.402861      6.107771
  H      -2.978586      2.625910      2.341579
  H      -4.593369      3.174761      2.781582
  H      -3.554117      0.456396      3.730048
  H      -4.184135      0.644282      2.092756
  H      -5.797011     -0.131874      4.081188
  H      -5.824522      1.582513      4.501050
  H      -8.700570      3.567453      1.657820
  H      -9.290073     -0.186259     -0.952824
  H      -8.267298     -2.467451     -0.998254
  H      -6.512781     -3.089162      0.650486
  H      -5.756024     -1.467169      2.350955
  H      -5.532461      6.621680      5.452215
  H      -4.671740      7.654794      6.607271
  H      -2.991457      8.252188      4.920533
  H      -4.624788      8.581662      4.336326
  H      -2.997015      7.531512      2.648058
  H      -2.991536      6.073150      3.622645
  H      -8.062880      6.638694      2.566254
  H      -6.588800      3.794826     -0.749631
  H      -4.340495      3.051684     -1.533542
  H      -2.281791      3.912016     -0.427821
  H      -2.448880      5.475304      1.478078
  H      -5.539356      0.947707      8.018345
  H      -6.137829      1.640185      6.515260
  H      -6.660604      2.794064      9.305493
  H      -7.143221      3.553448      7.778979
  H      -8.029940      0.760209      8.751701
  H      -9.005413      2.241720      8.844344
  H      -8.625953     -1.019082      4.711334
  H     -10.815386      2.618927      2.960639
  H     -11.376717      4.901488      3.810873
  H     -10.723579      5.572111      6.117148
  H      -9.516453      4.000847      7.584985
  N      -5.937906      4.058881      5.100414
  N      -6.992039      4.099395      4.605719
  H      -7.213373      2.981572      3.338635
98
Coordinates from ORCA-job orca E -6258.400251219375
  N      -3.242960      2.940158      4.414644
  Mo     -4.173054      3.913745      5.878672
  N      -4.618789      2.768459      7.421629
  C      -3.626533      2.626106      8.485028
  C      -2.249365      2.586043      7.831840
  N      -2.159939      3.692890      6.841183
  C      -1.223219      3.388687      5.726808
  C      -1.892796      2.455609      4.727409
  C      -1.850222      4.985206      7.511033
  C      -2.361801      6.137552      6.665107
  N      -3.692512      5.810789      6.156817
  H      -1.270725      2.421499      3.813538
  H      -1.911539      1.421243      5.124803
  H      -0.993496      4.341657      5.229707
  H      -0.280514      2.964393      6.113925
  H      -2.400132      7.050155      7.288014
  H      -1.656735      6.359165      5.839811
  H      -2.380930      4.982523      8.472429
  H      -0.768547      5.067483      7.713784
  H      -3.789217      1.689575      9.045195
  H      -3.688916      3.448713      9.221048
  H      -2.145808      1.640614      7.282527
  H      -1.427335      2.657548      8.565216
  C      -3.742526      2.442213      3.140557
  C      -4.239112      0.984167      3.167836
  C      -5.690899      0.831057      3.692397
  C      -6.702891      1.052225      2.617644
  N      -7.306552      2.242578      2.522215
  C      -8.217148      2.538493      1.540580
  N      -8.582149      1.696438      0.619431
  C      -8.015783      0.448529      0.651920
  C      -8.400535     -0.493988     -0.325876
  C      -7.842936     -1.757077     -0.320259
  C      -6.887148     -2.124302      0.656002
  C      -6.492611     -1.225656      1.624646
  C      -7.047704      0.078414      1.645054
  C      -4.455535      6.977673      5.710035
  C      -3.835619      7.781459      4.556601
  C      -3.558381      6.966988      3.295787
  C      -4.772449      6.478697      2.548377
  N      -5.972024      6.867237      2.957144
  C      -7.054437      6.367670      2.303526
  N      -7.065860      5.517581      1.296095
  C      -5.839654      5.130527      0.824870
  C      -5.769974      4.237641     -0.273027
  C      -4.542627      3.853135     -0.774552
  C      -3.345683      4.346003     -0.205264
  C      -3.387444      5.205962      0.874040
  C      -4.631166      5.608762      1.418331
  C      -5.820645      1.951088      7.537333
  C      -6.974399      2.636486      8.274533
  C      -8.245522      1.760784      8.295302
  C      -8.760353      1.451702      6.916277
  N      -8.442563      0.264222      6.404015
  C      -8.855650     -0.001865      5.137095
  N      -9.540056      0.782053      4.327078
  C      -9.895109      2.002453      4.834878
  C     -10.645526      2.891641      4.028004
  C     -11.001796      4.132489      4.514775
  C     -10.633201      4.526153      5.822327
  C      -9.910151      3.674919      6.632356
  C      -9.520818      2.396857      6.158894
  H      -2.939958      2.514217      2.383681
  H      -4.548707      3.103047      2.790382
  H      -3.577774      0.384684      3.810096
  H      -4.168002      0.554302      2.156998
  H      -5.837599     -0.176259      4.104668
  H      -5.856596      1.540931      4.513663
  H      -8.611167      3.554804      1.564848
  H      -9.140974     -0.192869     -1.067142
  H      -8.142881     -2.485371     -1.075072
  H      -6.463316     -3.128878      0.642019
  H      -5.758532     -1.517724      2.375017
  H      -5.457380      6.643547      5.416230
  H      -4.581505      7.660005      6.573467
  H      -2.891458      8.241951      4.885595
  H      -4.524950      8.606376      4.323798
  H      -2.946947      7.563518      2.596576
  H      -2.938842      6.087726      3.546259
  H      -8.025927      6.707430      2.675629
  H      -6.704168      3.888601     -0.715662
  H      -4.492340      3.174395     -1.627673
  H      -2.385115      4.042891     -0.624543
  H      -2.460582      5.577659      1.310751
  H      -5.572560      0.996875      8.038595
  H      -6.167286      1.678585      6.529818
  H      -6.680476      2.860512      9.311719
  H      -7.180070      3.597849      7.779271
  H      -8.023073      0.802725      8.786009
  H      -9.022030      2.267440      8.887069
  H      -8.577208     -0.987237      4.748208
  H     -10.937324      2.559827      3.030432
  H     -11.581961      4.815781      3.892342
  H     -10.929084      5.508922      6.191746
  H      -9.639341      3.986863      7.641284
  N      -5.889836      4.071421      5.048131
  N      -6.930672      4.116303      4.526301
  H      -7.119418      2.986545      3.255992
98
Coordinates from ORCA-job orca E -6258.400106560416
  N      -3.257911      2.969162      4.401183
  Mo     -4.185671      3.924724      5.878622
  N      -4.622053      2.769433      7.417202
  C      -3.623302      2.618312      8.473100
  C      -2.250532      2.581836      7.811356
  N      -2.167930      3.698253      6.831275
  C      -1.234323      3.409765      5.710291
  C      -1.904250      2.487165      4.701831
  C      -1.860047      4.983901      7.513940
  C      -2.374122      6.142743      6.679050
  N      -3.705544      5.820798      6.169032
  H      -1.285714      2.467299      3.785199
  H      -1.916897      1.447698      5.086143
  H      -1.009794      4.369424      5.223709
  H      -0.288814      2.984040      6.088844
  H      -2.411531      7.050910      7.308422
  H      -1.669851      6.369776      5.854551
  H      -2.389878      4.970695      8.475791
  H      -0.778296      5.066188      7.716182
  H      -3.784143      1.678634      9.028465
  H      -3.679373      3.436572      9.214382
  H      -2.150200      1.641247      7.253132
  H      -1.424251      2.647380      8.540499
  C      -3.758097      2.491205      3.119087
  C      -4.222461      1.021381      3.111597
  C      -5.661971      0.808662      3.650331
  C      -6.696117      1.029480      2.596939
  N      -7.340378      2.201196      2.547830
  C      -8.278295      2.494344      1.591156
  N      -8.627647      1.668951      0.648729
  C      -8.021118      0.439801      0.635667
  C      -8.391621     -0.486457     -0.362941
  C      -7.794242     -1.730599     -0.402447
  C      -6.811180     -2.094181      0.547720
  C      -6.429288     -1.210790      1.535273
  C      -7.025302      0.073409      1.601869
  C      -4.451604      6.993461      5.709720
  C      -3.802823      7.780124      4.560364
  C      -3.526731      6.945512      3.313919
  C      -4.745426      6.489099      2.557213
  N      -5.933684      6.929235      2.945630
  C      -7.026949      6.458445      2.290052
  N      -7.059245      5.591151      1.298620
  C      -5.843666      5.147514      0.850185
  C      -5.798941      4.226249     -0.224306
  C      -4.583127      3.774357     -0.697201
  C      -3.372925      4.227568     -0.122092
  C      -3.390345      5.118211      0.933062
  C      -4.623469      5.589043      1.448593
  C      -5.830006      1.962301      7.543121
  C      -6.972246      2.667710      8.280959
  C      -8.254971      1.808775      8.333633
  C      -8.784893      1.464134      6.968585
  N      -8.494859      0.252916      6.497304
  C      -8.927879     -0.052291      5.246466
  N      -9.606275      0.713729      4.414807
  C      -9.930630      1.959655      4.879015
  C     -10.664981      2.835354      4.042983
  C     -10.987551      4.102234      4.484276
  C     -10.598488      4.536884      5.772829
  C      -9.888845      3.700339      6.609819
  C      -9.534391      2.395911      6.183477
  H      -2.961939      2.597183      2.358719
  H      -4.578994      3.144973      2.789555
  H      -3.536954      0.420504      3.726530
  H      -4.154808      0.623293      2.087610
  H      -5.770573     -0.215005      4.032606
  H      -5.839148      1.486580      4.495405
  H      -8.697086      3.500415      1.644770
  H      -9.153537     -0.188613     -1.083473
  H      -8.083268     -2.446545     -1.173178
  H      -6.355672     -3.083675      0.498077
  H      -5.673634     -1.499857      2.265219
  H      -5.453305      6.669445      5.404232
  H      -4.579956      7.682133      6.567700
  H      -2.853439      8.224073      4.897342
  H      -4.472743      8.616641      4.311958
  H      -2.883266      7.510992      2.617812
  H      -2.942491      6.048967      3.588176
  H      -7.989033      6.836348      2.649100
  H      -6.742678      3.905768     -0.669124
  H      -4.551716      3.071555     -1.531496
  H      -2.421314      3.870823     -0.518962
  H      -2.451897      5.461697      1.371963
  H      -5.587951      1.010582      8.052065
  H      -6.183698      1.684170      6.540258
  H      -6.664941      2.904997      9.311207
  H      -7.172693      3.624142      7.773932
  H      -8.043549      0.862887      8.852148
  H      -9.020431      2.343947      8.914428
  H      -8.665057     -1.053176      4.888794
  H     -10.972554      2.472648      3.061031
  H     -11.555841      4.775065      3.839921
  H     -10.866507      5.540441      6.105736
  H      -9.599571      4.045527      7.602657
  N      -5.904852      4.081613      5.052246
  N      -6.945777      4.131198      4.529946
  H      -7.156809      2.956897      3.284690
98
Coordinates from ORCA-job orca E -6258.400463729985
  N      -3.259925      2.960547      4.412730
  Mo     -4.182169      3.925612      5.887305
  N      -4.616103      2.774967      7.429765
  C      -3.617341      2.630889      8.486712
  C      -2.244835      2.591692      7.824055
  N      -2.162651      3.701906      6.836639
  C      -1.232671      3.403209      5.715259
  C      -1.907746      2.475168      4.714881
  C      -1.850200      4.991469      7.510098
  C      -2.366566      6.146581      6.671206
  N      -3.699959      5.822132      6.168353
  H      -1.290936      2.446589      3.797273
  H      -1.923507      1.438543      5.106585
  H      -1.006365      4.358744      5.221482
  H      -0.287500      2.977372      6.094543
  H      -2.401394      7.057365      7.296985
  H      -1.665641      6.370325      5.842958
  H      -2.376026      4.984582      8.474164
  H      -0.767544      5.073527      7.707598
  H      -3.776597      1.693785      9.046848
  H      -3.674542      3.452796      9.223831
  H      -2.145193      1.647832      7.271253
  H      -1.417772      2.661199      8.551965
  C      -3.764247      2.474583      3.135691
  C      -4.259982      1.015943      3.150943
  C      -5.709427      0.857067      3.679742
  C      -6.726995      1.084173      2.611766
  N      -7.330355      2.275225      2.525317
  C      -8.249587      2.574535      1.552997
  N      -8.621813      1.735727      0.631504
  C      -8.055635      0.487574      0.654831
  C      -8.448843     -0.451600     -0.322823
  C      -7.891868     -1.714958     -0.325786
  C      -6.928128     -2.085582      0.641311
  C      -6.525008     -1.189991      1.609265
  C      -7.079256      0.114183      1.638175
  C      -4.454474      6.991629      5.714059
  C      -3.819281      7.784654      4.561652
  C      -3.539096      6.957907      3.309977
  C      -4.752539      6.484414      2.552974
  N      -5.948620      6.903433      2.941111
  C      -7.032773      6.420874      2.278121
  N      -7.049141      5.561242      1.279076
  C      -5.825499      5.140665      0.830059
  C      -5.760962      4.233222     -0.255965
  C      -4.535941      3.809831     -0.731271
  C      -3.335981      4.278180     -0.147654
  C      -3.372915      5.154674      0.918485
  C      -4.614769      5.596519      1.436621
  C      -5.815939      1.955372      7.549099
  C      -6.971668      2.645855      8.278615
  C      -8.241606      1.768343      8.314047
  C      -8.747497      1.420760      6.940728
  N      -8.433385      0.215798      6.468669
  C      -8.839436     -0.088379      5.208245
  N      -9.512967      0.673467      4.368618
  C      -9.863499      1.911857      4.834404
  C     -10.599187      2.780616      3.992439
  C     -10.948603      4.039721      4.435540
  C     -10.586218      4.473100      5.732222
  C      -9.876797      3.642816      6.575492
  C      -9.495869      2.346311      6.147712
  H      -2.964561      2.554126      2.376281
  H      -4.571879      3.138699      2.794766
  H      -3.595982      0.411153      3.785444
  H      -4.192521      0.595289      2.136019
  H      -5.853231     -0.153137      4.085710
  H      -5.872852      1.560879      4.506428
  H      -8.637504      3.593325      1.579472
  H      -9.195370     -0.147908     -1.056901
  H      -8.198449     -2.440796     -1.080304
  H      -6.504915     -3.090318      0.620757
  H      -5.784837     -1.484628      2.352660
  H      -5.456688      6.663276      5.415197
  H      -4.580566      7.678275      6.574032
  H      -2.873521      8.238296      4.895689
  H      -4.498942      8.614476      4.317773
  H      -2.909634      7.538597      2.613503
  H      -2.937264      6.070545      3.575218
  H      -8.001568      6.782861      2.635927
  H      -6.696476      3.902877     -0.710140
  H      -4.489432      3.118840     -1.574704
  H      -2.376915      3.944239     -0.546416
  H      -2.443609      5.508672      1.365480
  H      -5.567268      1.004812      8.057021
  H      -6.160476      1.675913      6.543149
  H      -6.677392      2.885450      9.312159
  H      -7.180255      3.600000      7.770601
  H      -8.021862      0.823947      8.831819
  H      -9.022242      2.289984      8.886794
  H      -8.562432     -1.086512      4.852322
  H     -10.884749      2.419116      3.003333
  H     -11.517515      4.707222      3.786201
  H     -10.875392      5.470297      6.066563
  H      -9.609308      3.986394      7.575014
  N      -5.905400      4.084570      5.070042
  N      -6.950054      4.133088      4.555492
  H      -7.144733      3.020103      3.262747
98
Coordinates from ORCA-job orca E -6258.400426250952
  N      -3.255220      2.959979      4.408009
  Mo     -4.180416      3.925987      5.880104
  N      -4.620134      2.773162      7.419479
  C      -3.623497      2.626065      8.478292
  C      -2.248970      2.587277      7.819639
  N      -2.163204      3.699158      6.834294
  C      -1.230608      3.401136      5.715084
  C      -1.903984      2.473858      4.713241
  C      -1.850696      4.987656      7.509883
  C      -2.363866      6.144292      6.671062
  N      -3.696434      5.821419      6.165198
  H      -1.285135      2.444460      3.797033
  H      -1.921428      1.437384      5.105237
  H      -1.002595      4.356856      5.222465
  H      -0.286605      2.974435      6.096321
  H      -2.399176      7.054244      7.298068
  H      -1.661116      6.368639      5.844545
  H      -2.378615      4.980277      8.472765
  H      -0.768379      5.068265      7.709845
  H      -3.784940      1.688248      9.036531
  H      -3.681846      3.446757      9.216601
  H      -2.148267      1.644237      7.265623
  H      -1.424003      2.655027      8.550103
  C      -3.758823      2.467022      3.133565
  C      -4.250029      1.006760      3.155589
  C      -5.698350      0.843098      3.686637
  C      -6.717214      1.061990      2.618421
  N      -7.323690      2.251161      2.526999
  C      -8.238898      2.546140      1.549319
  N      -8.606630      1.702803      0.629989
  C      -8.038191      0.455673      0.659626
  C      -8.426808     -0.487917     -0.315545
  C      -7.866185     -1.749695     -0.313052
  C      -6.903037     -2.114080      0.656940
  C      -6.504614     -1.213995      1.622728
  C      -7.063392      0.088194      1.646494
  C      -4.452949      6.991712      5.716393
  C      -3.823758      7.789795      4.564317
  C      -3.546412      6.967223      3.309381
  C      -4.762465      6.484549      2.562525
  N      -5.958663      6.889058      2.965606
  C      -7.044916      6.395301      2.314423
  N      -7.063106      5.536725      1.314461
  C      -5.840026      5.131349      0.849974
  C      -5.777796      4.226300     -0.238158
  C      -4.553620      3.819112     -0.729477
  C      -3.352369      4.301897     -0.160479
  C      -3.386793      5.175767      0.907843
  C      -4.627519      5.600656      1.442644
  C      -5.819249      1.951586      7.532602
  C      -6.974253      2.634287      8.270906
  C      -8.246458      1.759169      8.294153
  C      -8.755034      1.433880      6.916354
  N      -8.446775      0.235147      6.425144
  C      -8.852236     -0.045762      5.159058
  N      -9.521123      0.733720      4.331481
  C      -9.868580      1.964964      4.818632
  C     -10.603168      2.850044      3.992692
  C     -10.949820      4.101944      4.458218
  C     -10.585595      4.511529      5.761944
  C      -9.877330      3.664928      6.589677
  C      -9.499639      2.375295      6.138978
  H      -2.959863      2.545184      2.373388
  H      -4.568373      3.127468      2.790122
  H      -3.583195      0.406619      3.791565
  H      -4.181949      0.582524      2.142182
  H      -5.837047     -0.166278      4.096184
  H      -5.864768      1.549154      4.510879
  H      -8.627552      3.565180      1.569192
  H      -9.172402     -0.188777     -1.052442
  H      -8.169094     -2.478965     -1.065732
  H      -6.476620     -3.117528      0.640472
  H      -5.764904     -1.503739      2.368493
  H      -5.455661      6.662716      5.419691
  H      -4.577692      7.675396      6.578952
  H      -2.878467      8.246382      4.895540
  H      -4.507883      8.617316      4.325395
  H      -2.927426      7.554298      2.608795
  H      -2.935609      6.084233      3.568106
  H      -8.013495      6.747897      2.682063
  H      -6.714683      3.885102     -0.681375
  H      -4.509081      3.130104     -1.574633
  H      -2.394335      3.980851     -0.572086
  H      -2.456380      5.541226      1.343317
  H      -5.569650      0.996482      8.031350
  H      -6.164366      1.681024      6.524279
  H      -6.679226      2.858472      9.307657
  H      -7.180895      3.596043      7.776717
  H      -8.028579      0.806746      8.797762
  H      -9.025569      2.274218      8.875124
  H      -8.581102     -1.040137      4.787828
  H     -10.890527      2.506462      2.997762
  H     -11.518248      4.781814      3.821388
  H     -10.872480      5.503201      6.114147
  H      -9.608443      3.990183      7.594943
  N      -5.899363      4.089192      5.054777
  N      -6.941432      4.139321      4.535072
  H      -7.153776      2.993081      3.270350
98
Coordinates from ORCA-job orca E -6258.400478200296
  N      -3.250616      2.966058      4.414877
  Mo     -4.175315      3.931482      5.887573
  N      -4.618424      2.777700      7.425400
  C      -3.623398      2.628513      8.485402
  C      -2.248246      2.587151      7.828130
  N      -2.159315      3.699187      6.843264
  C      -1.226366      3.399596      5.724648
  C      -1.901316      2.475349      4.720886
  C      -1.844986      4.986786      7.519847
  C      -2.354377      6.144691      6.680602
  N      -3.687894      5.825738      6.174163
  H      -1.281452      2.444994      3.805409
  H      -1.922355      1.438503      5.111806
  H      -0.995386      4.355182      5.233163
  H      -0.283951      2.969931      6.106447
  H      -2.387201      7.055260      7.306760
  H      -1.650424      6.365748      5.854272
  H      -2.374578      4.980162      8.481831
  H      -0.762828      5.064907      7.721580
  H      -3.787394      1.691142      9.043580
  H      -3.680781      3.449505      9.223457
  H      -2.148761      1.644095      7.273920
  H      -1.423856      2.653172      8.559406
  C      -3.754375      2.480276      3.137562
  C      -4.251263      1.021579      3.154182
  C      -5.700298      0.860295      3.684680
  C      -6.719816      1.081228      2.617463
  N      -7.321966      2.272486      2.523613
  C      -8.238765      2.567612      1.547502
  N      -8.613190      1.722198      0.632748
  C      -8.049214      0.473139      0.664775
  C      -8.444800     -0.472571     -0.305503
  C      -7.888423     -1.736211     -0.300685
  C      -6.922854     -2.100404      0.666966
  C      -6.518032     -1.198405      1.628290
  C      -7.072281      0.105740      1.649536
  C      -4.437209      6.998340      5.719031
  C      -3.802283      7.784001      4.561668
  C      -3.536493      6.951304      3.310820
  C      -4.758799      6.487011      2.562077
  N      -5.949520      6.909868      2.962455
  C      -7.041714      6.434869      2.307280
  N      -7.070594      5.582657      1.302205
  C      -5.852715      5.159424      0.840027
  C      -5.802004      4.260519     -0.253699
  C      -4.583374      3.830068     -0.738946
  C      -3.376209      4.283860     -0.158690
  C      -3.399582      5.154205      0.912828
  C      -4.634737      5.602818      1.441275
  C      -5.818574      1.957073      7.535818
  C      -6.976102      2.642688      8.267285
  C      -8.246705      1.765412      8.297475
  C      -8.749751      1.418074      6.922872
  N      -8.442035      0.210251      6.454066
  C      -8.845636     -0.093489      5.192670
  N      -9.512467      0.671523      4.349892
  C      -9.860188      1.911570      4.814370
  C     -10.593813      2.781767      3.971802
  C     -10.941536      4.041628      4.414652
  C     -10.579632      4.474222      5.711535
  C      -9.872364      3.642554      6.555132
  C      -9.493319      2.345432      6.127737
  H      -2.954313      2.558572      2.378418
  H      -4.560936      3.145169      2.795827
  H      -3.586669      0.417567      3.788770
  H      -4.184227      0.599980      2.139579
  H      -5.840792     -0.149206      4.093183
  H      -5.865582      1.565635      4.509706
  H      -8.623253      3.588714      1.565095
  H      -9.192191     -0.173544     -1.040621
  H      -8.196631     -2.467121     -1.049619
  H      -6.499696     -3.105266      0.652307
  H      -5.776547     -1.488063      2.372321
  H      -5.442222      6.674282      5.424653
  H      -4.556914      7.688066      6.577414
  H      -2.851193      8.231143      4.889093
  H      -4.476848      8.618465      4.319610
  H      -2.904674      7.523345      2.609428
  H      -2.942601      6.058408      3.575906
  H      -8.005670      6.800134      2.674657
  H      -6.742768      3.941661     -0.705272
  H      -4.547650      3.144761     -1.587515
  H      -2.422303      3.944073     -0.564796
  H      -2.464770      5.497894      1.356454
  H      -5.571322      1.003422      8.038418
  H      -6.159793      1.683546      6.526946
  H      -6.682760      2.875908      9.302522
  H      -7.183795      3.600206      7.765406
  H      -8.029575      0.820784      8.815828
  H      -9.028998      2.287724      8.867703
  H      -8.576368     -1.095625      4.840912
  H     -10.880323      2.420309      2.982991
  H     -11.509213      4.709888      3.764986
  H     -10.867301      5.471852      6.045800
  H      -9.605127      3.985541      7.554912
  N      -5.891829      4.100941      5.058578
  N      -6.931236      4.157962      4.534335
  H      -7.136840      3.022019      3.258517
98
Coordinates from ORCA-job orca E -6258.400345249563
  N      -3.258955      2.949734      4.412434
  Mo     -4.189080      3.907418      5.887123
  N      -4.613354      2.753040      7.429454
  C      -3.612936      2.617102      8.486051
  C      -2.240312      2.588448      7.823088
  N      -2.167434      3.699868      6.835967
  C      -1.235291      3.408834      5.714392
  C      -1.902809      2.475324      4.714204
  C      -1.865137      4.992131      7.509091
  C      -2.391520      6.143046      6.670142
  N      -3.722702      5.807740      6.168571
  H      -1.286059      2.452326      3.796361
  H      -1.909706      1.438377      5.105340
  H      -1.016854      4.366237      5.220729
  H      -0.286584      2.990682      6.093389
  H      -2.433017      7.053506      7.295976
  H      -1.693375      6.372620      5.841119
  H      -2.390406      4.981129      8.473431
  H      -0.783062      5.082953      7.706007
  H      -3.765076      1.679963      9.048105
  H      -3.675789      3.439987      9.221547
  H      -2.133244      1.645438      7.270247
  H      -1.413728      2.664582      8.550846
  C      -3.757384      2.463188      3.133136
  C      -4.243282      1.001393      3.144071
  C      -5.693711      0.832962      3.666230
  C      -6.708953      1.055071      2.595208
  N      -7.321302      2.241436      2.509579
  C      -8.240041      2.535755      1.535467
  N      -8.604225      1.695463      0.612066
  C      -8.029362      0.451242      0.634995
  C      -8.414898     -0.489944     -0.343733
  C      -7.849106     -1.749417     -0.346783
  C      -6.884154     -2.114042      0.621350
  C      -6.488802     -1.216410      1.590689
  C      -7.052161      0.083773      1.619615
  C      -4.489910      6.971514      5.720254
  C      -3.865417      7.776408      4.570144
  C      -3.578772      6.960451      3.312710
  C      -4.787750      6.482354      2.550591
  N      -5.986798      6.902073      2.928727
  C      -7.065859      6.418977      2.257723
  N      -7.074707      5.556582      1.260716
  C      -5.847599      5.135222      0.821874
  C      -5.773942      4.225368     -0.261784
  C      -4.545005      3.802105     -0.726916
  C      -3.349946      4.272647     -0.135258
  C      -3.395859      5.151323      0.928635
  C      -4.641736      5.593097      1.436485
  C      -5.813620      1.935563      7.554019
  C      -6.960700      2.628374      8.294577
  C      -8.240394      1.765440      8.319287
  C      -8.755283      1.447044      6.942265
  N      -8.469156      0.242209      6.452584
  C      -8.882849     -0.033992      5.187985
  N      -9.536971      0.756350      4.359341
  C      -9.860120      1.994940      4.844060
  C     -10.576787      2.892502      4.016075
  C     -10.899435      4.151607      4.479100
  C     -10.527717      4.556728      5.782207
  C      -9.835969      3.698332      6.611815
  C      -9.482810      2.400846      6.163527
  H      -2.956703      2.549366      2.375507
  H      -4.568531      3.122776      2.791960
  H      -3.578572      0.400195      3.781265
  H      -4.168257      0.581883      2.129220
  H      -5.832958     -0.178338      4.071093
  H      -5.864427      1.535232      4.492645
  H      -8.634740      3.551726      1.562503
  H      -9.162545     -0.190964     -1.078600
  H      -8.149741     -2.476873     -1.102133
  H      -6.453851     -3.115745      0.600589
  H      -5.747636     -1.506383      2.334889
  H      -5.490014      6.635467      5.423330
  H      -4.619341      7.653114      6.583767
  H      -2.923941      8.238169      4.905153
  H      -4.554206      8.600307      4.331783
  H      -2.954906      7.552319      2.620588
  H      -2.968713      6.076706      3.570750
  H      -8.037679      6.777074      2.611290
  H      -6.705358      3.893363     -0.722958
  H      -4.491505      3.109316     -1.568457
  H      -2.387631      3.938595     -0.526006
  H      -2.470762      5.506731      1.382460
  H      -5.565623      0.980808      8.054446
  H      -6.166657      1.664134      6.548891
  H      -6.661977      2.851297      9.330580
  H      -7.159793      3.591236      7.799413
  H      -8.030930      0.810465      8.821647
  H      -9.013148      2.288112      8.901702
  H      -8.627495     -1.032280      4.816713
  H     -10.869979      2.552862      3.021457
  H     -11.454324      4.841058      3.840682
  H     -10.795792      5.554366      6.132427
  H      -9.561256      4.020166      7.616592
  N      -5.913870      4.047853      5.070452
  N      -6.959782      4.080247      4.557645
  H      -7.133213      2.989232      3.244107
98
Coordinates from ORCA-job orca E -6258.400477540001
  N      -3.258699      2.958551      4.420615
  Mo     -4.182810      3.926870      5.891839
  N      -4.619261      2.778170      7.435429
  C      -3.621465      2.635331      8.493581
  C      -2.247982      2.594096      7.833109
  N      -2.164135      3.702884      6.844207
  C      -1.232831      3.401921      5.724596
  C      -1.907342      2.472592      4.725196
  C      -1.851734      4.993450      7.515916
  C      -2.365576      6.147201      6.673654
  N      -3.698975      5.823370      6.170150
  H      -1.289378      2.441475      3.808458
  H      -1.924482      1.436773      5.119020
  H      -1.005400      4.356497      5.229498
  H      -0.288445      2.976023      6.105746
  H      -2.399686      7.059776      7.296833
  H      -1.663522      6.367399      5.845454
  H      -2.379365      4.988784      8.479009
  H      -0.769367      5.074969      7.715195
  H      -3.782334      1.700077      9.056244
  H      -3.678632      3.459464      9.228150
  H      -2.147777      1.649238      7.282123
  H      -1.421997      2.664662      8.562131
  C      -3.761096      2.473160      3.142489
  C      -4.255652      1.013567      3.153922
  C      -5.706354      0.847417      3.678020
  C      -6.721002      1.075845      2.607813
  N      -7.323762      2.267320      2.522510
  C      -8.233995      2.572452      1.543241
  N      -8.601323      1.736260      0.617255
  C      -8.038334      0.486492      0.641486
  C      -8.427949     -0.449773     -0.340268
  C      -7.871682     -1.713495     -0.344126
  C      -6.911972     -2.087073      0.625776
  C      -6.512864     -1.194364      1.598120
  C      -7.067506      0.109433      1.628701
  C      -4.450200      6.992840      5.710112
  C      -3.813672      7.777136      4.552564
  C      -3.542812      6.942813      3.304000
  C      -4.761856      6.478734      2.550014
  N      -5.953631      6.907061      2.941182
  C      -7.043207      6.432609      2.281266
  N      -7.068648      5.575138      1.280548
  C      -5.849321      5.145808      0.827935
  C      -5.794632      4.240740     -0.260524
  C      -4.574296      3.805176     -0.736887
  C      -3.369291      4.259394     -0.152481
  C      -3.396598      5.135268      0.914424
  C      -4.633656      5.589328      1.433759
  C      -5.818246      1.957452      7.553229
  C      -6.972653      2.644095      8.288648
  C      -8.243226      1.767418      8.319230
  C      -8.746787      1.424238      6.944005
  N      -8.432852      0.220693      6.468730
  C      -8.831887     -0.076843      5.204485
  N      -9.498919      0.690577      4.364291
  C      -9.853153      1.926191      4.835295
  C     -10.586841      2.798807      3.995422
  C     -10.940182      4.054858      4.444438
  C     -10.583195      4.481421      5.744722
  C      -9.875466      3.647397      6.585634
  C      -9.491231      2.353799      6.152121
  H      -2.960255      2.553769      2.384338
  H      -4.567976      3.137680      2.800787
  H      -3.592287      0.408394      3.788714
  H      -4.184399      0.595470      2.138166
  H      -5.847465     -0.164822      4.079472
  H      -5.875495      1.547376      4.506807
  H      -8.616950      3.594105      1.566806
  H      -9.170631     -0.143571     -1.077197
  H      -8.175300     -2.437109     -1.101967
  H      -6.488654     -3.091734      0.603896
  H      -5.775694     -1.491151      2.343622
  H      -5.453939      6.666001      5.414549
  H      -4.572937      7.684623      6.566425
  H      -2.864178      8.226518      4.881656
  H      -4.489001      8.610024      4.307042
  H      -2.907647      7.513813      2.604773
  H      -2.950565      6.049930      3.572677
  H      -8.008357      6.800926      2.642338
  H      -6.733577      3.921090     -0.715322
  H      -4.535461      3.115245     -1.581564
  H      -2.413946      3.915394     -0.551617
  H      -2.463374      5.479427      1.361224
  H      -5.568623      1.004559      8.056244
  H      -6.164039      1.682342      6.546444
  H      -6.676646      2.875428      9.323571
  H      -7.180633      3.602411      7.788389
  H      -8.024932      0.821450      8.834629
  H      -9.025007      2.287980      8.891683
  H      -8.552409     -1.073241      4.845564
  H     -10.868859      2.442214      3.003555
  H     -11.508204      4.724859      3.796893
  H     -10.875100      5.476215      6.083756
  H      -9.612168      3.985682      7.588056
  N      -5.901608      4.088486      5.065931
  N      -6.942324      4.140374      4.543817
  H      -7.144996      3.009489      3.262230
98
Coordinates from ORCA-job orca E -6258.400380526230
  N      -3.241272      2.970975      4.405275
  Mo     -4.169720      3.932790      5.877991
  N      -4.618929      2.771602      7.408489
  C      -3.628462      2.619785      8.472439
  C      -2.250386      2.580770      7.820922
  N      -2.156832      3.695665      6.839438
  C      -1.220785      3.397718      5.723016
  C      -1.893924      2.477045      4.714951
  C      -1.842324      4.981092      7.520003
  C      -2.349053      6.142169      6.683375
  N      -3.681743      5.825411      6.173935
  H      -1.271043      2.447519      3.801488
  H      -1.918248      1.439400      5.103503
  H      -0.986655      4.354175      5.234726
  H      -0.280222      2.965632      6.106703
  H      -2.382514      7.050285      7.313113
  H      -1.643727      6.366369      5.859048
  H      -2.373699      4.972377      8.480962
  H      -0.760468      5.057464      7.724052
  H      -3.794554      1.680833      9.027335
  H      -3.689454      3.438761      9.212435
  H      -2.148816      1.639415      7.264223
  H      -1.429058      2.644170      8.555882
  C      -3.743989      2.479792      3.129917
  C      -4.244441      1.023164      3.158831
  C      -5.693139      0.874518      3.692919
  C      -6.714828      1.080986      2.624885
  N      -7.316232      2.270974      2.512085
  C      -8.242050      2.546457      1.539014
  N      -8.625213      1.683656      0.644425
  C      -8.059426      0.436172      0.694163
  C      -8.462810     -0.527842     -0.254672
  C      -7.906587     -1.791324     -0.229871
  C      -6.933973     -2.137293      0.737391
  C      -6.521798     -1.217181      1.678237
  C      -7.074924      0.087603      1.678063
  C      -4.434992      6.999949      5.730321
  C      -3.806702      7.798162      4.578114
  C      -3.539958      6.977650      3.319464
  C      -4.762971      6.505625      2.576600
  N      -5.954668      6.916028      2.987100
  C      -7.047132      6.433507      2.337877
  N      -7.075545      5.583191      1.331063
  C      -5.857247      5.172350      0.858840
  C      -5.805754      4.276529     -0.237503
  C      -4.586519      3.861691     -0.734661
  C      -3.379649      4.328151     -0.164048
  C      -3.403722      5.194332      0.910766
  C      -4.639110      5.626696      1.451618
  C      -5.816074      1.944755      7.506527
  C      -6.978029      2.618891      8.241628
  C      -8.248057      1.739768      8.260605
  C      -8.754232      1.408004      6.882918
  N      -8.465007      0.198777      6.405622
  C      -8.876488     -0.091237      5.143189
  N      -9.533282      0.689153      4.306714
  C      -9.862039      1.931015      4.779999
  C     -10.585260      2.817008      3.945042
  C     -10.916455      4.077727      4.397922
  C     -10.547930      4.495595      5.697749
  C      -9.850223      3.648571      6.533938
  C      -9.487800      2.350185      6.095986
  H      -2.943264      2.550954      2.371007
  H      -4.549056      3.143979      2.783404
  H      -3.581933      0.423573      3.799839
  H      -4.178960      0.590813      2.148658
  H      -5.836167     -0.128173      4.117145
  H      -5.854555      1.592828      4.507510
  H      -8.630966      3.565020      1.544529
  H      -9.216125     -0.242892     -0.989330
  H      -8.220911     -2.536470     -0.962048
  H      -6.511435     -3.142515      0.739063
  H      -5.774996     -1.492853      2.422254
  H      -5.440091      6.675911      5.436045
  H      -4.554139      7.681618      6.595232
  H      -2.857871      8.249161      4.906718
  H      -4.487708      8.629646      4.344197
  H      -2.920715      7.563171      2.617847
  H      -2.933657      6.089851      3.572497
  H      -8.011631      6.791621      2.710908
  H      -6.746516      3.948464     -0.682345
  H      -4.550298      3.179426     -1.585665
  H      -2.425524      4.001111     -0.579983
  H      -2.469405      5.547680      1.347216
  H      -5.567128      0.986633      7.999829
  H      -6.153139      1.681000      6.493571
  H      -6.687451      2.841731      9.279940
  H      -7.186460      3.581325      7.749554
  H      -8.031137      0.789576      8.768774
  H      -9.030041      2.255888      8.836923
  H      -8.629133     -1.097634      4.786643
  H     -10.877417      2.466907      2.953756
  H     -11.476573      4.757987      3.754181
  H     -10.822869      5.494061      6.040136
  H      -9.577469      3.980368      7.535996
  N      -5.884086      4.105002      5.045573
  N      -6.923038      4.159963      4.520557
  H      -7.126770      3.030708      3.241430
98
Coordinates from ORCA-job orca E -6258.400488135113
  N      -3.253634      2.957953      4.419261
  Mo     -4.179292      3.925032      5.890337
  N      -4.618778      2.774019      7.431306
  C      -3.623011      2.630032      8.491251
  C      -2.248298      2.588791      7.833142
  N      -2.162029      3.698529      6.845335
  C      -1.229390      3.397788      5.726797
  C      -1.903334      2.470146      4.725529
  C      -1.849316      4.988308      7.518387
  C      -2.361714      6.143365      6.676917
  N      -3.695027      5.820853      6.172421
  H      -1.283966      2.439121      3.809733
  H      -1.922259      1.434009      5.118427
  H      -1.000308      4.352617      5.232946
  H      -0.285968      2.970613      6.108909
  H      -2.395682      7.055119      7.301308
  H      -1.659076      6.364269      5.849405
  H      -2.377860      4.983103      8.480972
  H      -0.767086      5.068892      7.718790
  H      -3.785366      1.694600      9.053174
  H      -3.681108      3.453863      9.226067
  H      -2.147663      1.644416      7.281398
  H      -1.423541      2.658155      8.563676
  C      -3.755139      2.472132      3.141038
  C      -4.250261      1.012949      3.155022
  C      -5.700598      0.849471      3.680653
  C      -6.716759      1.072672      2.610805
  N      -7.320681      2.263166      2.520150
  C      -8.235046      2.560938      1.542569
  N      -8.604879      1.718849      0.622970
  C      -8.039736      0.470230      0.652107
  C      -8.431537     -0.472309     -0.322747
  C      -7.873794     -1.735388     -0.320904
  C      -6.910548     -2.102080      0.648108
  C      -6.509383     -1.203142      1.613856
  C      -7.065233      0.100262      1.638303
  C      -4.447722      6.991580      5.717878
  C      -3.815449      7.780180      4.561003
  C      -3.548245      6.950518      3.308531
  C      -4.770129      6.485328      2.559698
  N      -5.961063      6.907473      2.960118
  C      -7.052988      6.431733      2.305069
  N      -7.081504      5.578539      1.300775
  C      -5.863427      5.156049      0.838456
  C      -5.812101      4.256448     -0.254694
  C      -4.593123      3.827862     -0.740776
  C      -3.386225      4.283839     -0.161693
  C      -3.410198      5.154404      0.909623
  C      -4.645654      5.601222      1.438848
  C      -5.818694      1.954066      7.545421
  C      -6.973421      2.641912      8.279140
  C      -8.246812      1.769064      8.307460
  C      -8.749973      1.425538      6.931987
  N      -8.449234      0.216185      6.462805
  C      -8.851169     -0.083301      5.199819
  N      -9.508757      0.687552      4.355340
  C      -9.849152      1.929501      4.819919
  C     -10.572546      2.806139      3.975311
  C     -10.912962      4.067894      4.418292
  C     -10.553068      4.496386      5.717129
  C      -9.855201      3.658629      6.562557
  C      -9.484063      2.359173      6.135192
  H      -2.953952      2.551511      2.383182
  H      -4.561662      3.136508      2.798282
  H      -3.587112      0.408954      3.791177
  H      -4.179570      0.592346      2.140260
  H      -5.841498     -0.160943      4.086761
  H      -5.868785      1.553075      4.506526
  H      -8.620431      3.581479      1.562676
  H      -9.177132     -0.171441     -1.058930
  H      -8.179144     -2.463904     -1.073333
  H      -6.486190     -3.106392      0.630892
  H      -5.769533     -1.494671      2.358779
  H      -5.452266      6.665461      5.424275
  H      -4.568218      7.680409      6.576892
  H      -2.865520      8.229792      4.888483
  H      -4.492717      8.612903      4.320383
  H      -2.918708      7.525900      2.607790
  H      -2.951770      6.058654      3.571080
  H      -8.017276      6.794018      2.674511
  H      -6.752620      3.935566     -0.705337
  H      -4.556974      3.142235     -1.589070
  H      -2.432105      3.945427     -0.568455
  H      -2.475633      5.499930      1.352353
  H      -5.571447      1.000033      8.047488
  H      -6.162838      1.681228      6.537447
  H      -6.678676      2.871856      9.314737
  H      -7.178063      3.601168      7.779307
  H      -8.033384      0.823122      8.824939
  H      -9.027809      2.293573      8.877372
  H      -8.585860     -1.085990      4.847195
  H     -10.857421      2.448109      2.984769
  H     -11.473150      4.740947      3.767100
  H     -10.834879      5.495674      6.051445
  H      -9.589444      3.998537      7.563779
  N      -5.896816      4.088174      5.062232
  N      -6.936766      4.140183      4.538674
  H      -7.139231      3.009923      3.257356
98
Coordinates from ORCA-job orca E -6258.400464336615
  N      -3.249565      2.966971      4.418058
  Mo     -4.177977      3.930275      5.889734
  N      -4.618168      2.775196      7.427459
  C      -3.623537      2.629175      8.488190
  C      -2.247816      2.591946      7.831905
  N      -2.161821      3.704098      6.846869
  C      -1.227424      3.406862      5.728758
  C      -1.899158      2.479982      4.725098
  C      -1.852082      4.993060      7.523119
  C      -2.363769      6.148747      6.682139
  N      -3.696149      5.825959      6.174972
  H      -1.278663      2.450722      3.810013
  H      -1.917561      1.443320      5.116624
  H      -0.999176      4.362894      5.236865
  H      -0.283898      2.980245      6.111220
  H      -2.399212      7.060175      7.306876
  H      -1.659768      6.370131      5.855951
  H      -2.382848      4.985619      8.484462
  H      -0.770392      5.074499      7.726066
  H      -3.785350      1.691740      9.046897
  H      -3.683738      3.450578      9.225587
  H      -2.144861      1.649126      7.277935
  H      -1.424159      2.660757      8.563732
  C      -3.750788      2.482146      3.139367
  C      -4.247457      1.023438      3.154064
  C      -5.697679      0.862470      3.681277
  C      -6.714903      1.082998      2.611813
  N      -7.314898      2.275016      2.515002
  C      -8.229059      2.570636      1.536618
  N      -8.603990      1.724288      0.623046
  C      -8.042836      0.474032      0.658319
  C      -8.439062     -0.472622     -0.310737
  C      -7.884821     -1.737218     -0.303156
  C      -6.920830     -2.101415      0.666051
  C      -6.515519     -1.198557      1.626387
  C      -7.067680      0.106537      1.644926
  C      -4.446017      6.995592      5.713131
  C      -3.809040      7.775237      4.552980
  C      -3.541872      6.936758      3.306141
  C      -4.761788      6.477260      2.549845
  N      -5.953315      6.908705      2.938353
  C      -7.042547      6.439166      2.274077
  N      -7.067717      5.586801      1.268849
  C      -5.848334      5.155092      0.818570
  C      -5.792640      4.256180     -0.275149
  C      -4.572225      3.815940     -0.746956
  C      -3.368044      4.259614     -0.153030
  C      -3.396455      5.130859      0.917554
  C      -4.633478      5.589964      1.432042
  C      -5.815508      1.950752      7.535921
  C      -6.972592      2.627626      8.276087
  C      -8.240650      1.747180      8.298076
  C      -8.745730      1.417054      6.920115
  N      -8.430729      0.219258      6.431121
  C      -8.833441     -0.065785      5.164948
  N      -9.506401      0.708558      4.335781
  C      -9.863192      1.937677      4.821848
  C     -10.606046      2.815824      3.995894
  C     -10.963215      4.065059      4.460658
  C     -10.601704      4.478838      5.763749
  C      -9.885601      3.638920      6.591568
  C      -9.496902      2.352323      6.141488
  H      -2.949465      2.561210      2.381508
  H      -4.556868      3.147132      2.796880
  H      -3.584516      0.419369      3.790365
  H      -4.177927      0.601889      2.139603
  H      -5.839066     -0.146655      4.090425
  H      -5.864562      1.568643      4.505357
  H      -8.611732      3.592497      1.552303
  H      -9.185092     -0.173593     -1.047228
  H      -8.193541     -2.468882     -1.051144
  H      -6.499252     -3.106967      0.653388
  H      -5.775233     -1.488268      2.371572
  H      -5.450285      6.669326      5.418774
  H      -4.567428      7.689552      6.567846
  H      -2.857854      8.222352      4.880153
  H      -4.481908      8.609706      4.306095
  H      -2.902145      7.502562      2.606943
  H      -2.955171      6.040928      3.577711
  H      -8.007583      6.810034      2.632964
  H      -6.730485      3.944651     -0.737565
  H      -4.532663      3.130460     -1.595219
  H      -2.412434      3.911670     -0.548084
  H      -2.464251      5.466987      1.371755
  H      -5.564549      0.993835      8.030545
  H      -6.158955      1.684096      6.525889
  H      -6.677874      2.850084      9.313332
  H      -7.182643      3.590016      7.784629
  H      -8.019393      0.796560      8.803515
  H      -9.023405      2.259788      8.876440
  H      -8.555984     -1.059149      4.795607
  H     -10.892419      2.468562      3.001967
  H     -11.538169      4.739216      3.823613
  H     -10.897105      5.468135      6.115593
  H      -9.619565      3.966870      7.596697
  N      -5.893459      4.095718      5.058060
  N      -6.931058      4.151358      4.530498
  H      -7.128945      3.024641      3.247689
98
Coordinates from ORCA-job orca E -6258.400491642532
  N      -3.255126      2.961286      4.418470
  Mo     -4.180479      3.928413      5.889623
  N      -4.619749      2.776798      7.430272
  C      -3.623992      2.632775      8.490196
  C      -2.249278      2.591728      7.832119
  N      -2.163117      3.701618      6.844524
  C      -1.230663      3.401009      5.725792
  C      -1.904804      2.473379      4.724617
  C      -1.850259      4.991248      7.517786
  C      -2.362313      6.146350      6.676225
  N      -3.695574      5.824100      6.171476
  H      -1.285548      2.442230      3.808751
  H      -1.923792      1.437271      5.117568
  H      -1.001648      4.355865      5.231971
  H      -0.287175      2.973794      6.107710
  H      -2.396147      7.058188      7.300516
  H      -1.659522      6.367034      5.848786
  H      -2.378854      4.986093      8.480336
  H      -0.768024      5.071660      7.718248
  H      -3.786290      1.697244      9.051968
  H      -3.682209      3.456501      9.225119
  H      -2.148598      1.647467      7.280199
  H      -1.424515      2.660979      8.562660
  C      -3.757258      2.474656      3.140815
  C      -4.253910      1.016055      3.156330
  C      -5.704730      0.854989      3.681486
  C      -6.719980      1.077982      2.610694
  N      -7.321531      2.269470      2.517229
  C      -8.234096      2.567377      1.537964
  N      -8.604780      1.724235      0.619689
  C      -8.042115      0.474555      0.651707
  C      -8.434754     -0.468996     -0.321826
  C      -7.879321     -1.733095     -0.317205
  C      -6.917648     -2.099826      0.653340
  C      -6.515758     -1.199920      1.617894
  C      -7.069286      0.104514      1.639533
  C      -4.446909      6.994754      5.714496
  C      -3.811898      7.781331      4.557735
  C      -3.542998      6.949607      3.306993
  C      -4.763611      6.486047      2.555069
  N      -5.954749      6.912670      2.950078
  C      -7.045645      6.438356      2.292239
  N      -7.073005      5.582489      1.290155
  C      -5.854497      5.155011      0.833556
  C      -5.801705      4.251798     -0.256582
  C      -4.582148      3.818515     -0.737012
  C      -3.376096      4.273204     -0.155183
  C      -3.401559      5.147131      0.913342
  C      -4.637665      5.598731      1.436905
  C      -5.817444      1.953394      7.542372
  C      -6.973540      2.635099      8.279717
  C      -8.243664      1.757471      8.306312
  C      -8.747371      1.417848      6.930117
  N      -8.441368      0.212354      6.454509
  C      -8.842814     -0.082401      5.190216
  N      -9.504629      0.689766      4.350241
  C      -9.851048      1.927443      4.821776
  C     -10.580246      2.804660      3.982812
  C     -10.927021      4.062139      4.432964
  C     -10.567831      4.485627      5.733616
  C      -9.864424      3.647124      6.573676
  C      -9.486851      2.351967      6.138926
  H      -2.956072      2.552449      2.382784
  H      -4.563194      3.139464      2.797516
  H      -3.591747      0.412115      3.793581
  H      -4.183179      0.594095      2.142137
  H      -5.846989     -0.154715      4.088903
  H      -5.872513      1.559946      4.506327
  H      -8.617681      3.588612      1.555863
  H      -9.179052     -0.168060     -1.059291
  H      -8.185291     -2.462376     -1.068640
  H      -6.495111     -3.104939      0.638294
  H      -5.777140     -1.491487      2.364019
  H      -5.451146      6.668915      5.419549
  H      -4.568349      7.684741      6.572457
  H      -2.862185      8.230534      4.886375
  H      -4.488023      8.614280      4.314670
  H      -2.910174      7.522761      2.607385
  H      -2.949334      6.056717      3.572341
  H      -8.010146      6.805699      2.656065
  H      -6.741404      3.931829     -0.709557
  H      -4.544813      3.130166     -1.583048
  H      -2.421448      3.931099     -0.557598
  H      -2.467658      5.491723      1.358180
  H      -5.567301      0.998230      8.040861
  H      -6.161546      1.683189      6.533638
  H      -6.678307      2.862251      9.315794
  H      -7.182010      3.595402      7.783501
  H      -8.025746      0.810258      8.819565
  H      -9.025940      2.276509      8.879523
  H      -8.573003     -1.081988      4.832256
  H     -10.864443      2.450405      2.990718
  H     -11.491743      4.735563      3.786082
  H     -10.854689      5.481544      6.073653
  H      -9.599441      3.983020      7.576457
  N      -5.897718      4.092115      5.061094
  N      -6.937315      4.144537      4.536976
  H      -7.139351      3.016846      3.253583
98
Coordinates from ORCA-job orca E -6258.400490063546
  N      -3.254106      2.959951      4.421048
  Mo     -4.180414      3.926186      5.892137
  N      -4.619220      2.774585      7.432853
  C      -3.623531      2.630532      8.492831
  C      -2.248736      2.590347      7.834788
  N      -2.163113      3.700535      6.847422
  C      -1.230229      3.400749      5.728817
  C      -1.903541      2.472875      4.727248
  C      -1.851583      4.990392      7.520900
  C      -2.364138      6.145241      6.679251
  N      -3.697082      5.822216      6.173951
  H      -1.284074      2.442319      3.811511
  H      -1.921902      1.436678      5.120014
  H      -1.001847      4.355848      5.235167
  H      -0.286520      2.974144      6.110853
  H      -2.398814      7.057073      7.303483
  H      -1.661114      6.366223      5.852104
  H      -2.380703      4.984708      8.483164
  H      -0.769527      5.071660      7.721956
  H      -3.785619      1.694869      9.054422
  H      -3.682000      3.454135      9.227867
  H      -2.147497      1.646286      7.282616
  H      -1.424034      2.659883      8.565378
  C      -3.755294      2.475291      3.142278
  C      -4.250492      1.016128      3.155174
  C      -5.700943      0.852511      3.680594
  C      -6.717083      1.075774      2.610709
  N      -7.320182      2.266636      2.519191
  C      -8.234763      2.564194      1.541755
  N      -8.605818      1.721505      0.623236
  C      -8.041411      0.472567      0.653088
  C      -8.434300     -0.470524     -0.320781
  C      -7.877351     -1.733957     -0.318156
  C      -6.913883     -2.100449      0.650702
  C      -6.511696     -1.200987      1.615537
  C      -7.066615      0.102836      1.639111
  C      -4.448423      6.992241      5.715372
  C      -3.814036      7.776601      4.556857
  C      -3.546659      6.942858      3.307042
  C      -4.767897      6.479487      2.555814
  N      -5.959288      6.902064      2.954382
  C      -7.050268      6.428037      2.296421
  N      -7.077369      5.577605      1.289713
  C      -5.858657      5.155118      0.829054
  C      -5.805584      4.258936     -0.266877
  C      -4.585923      3.829255     -0.750275
  C      -3.380022      4.280977     -0.165880
  C      -3.405756      5.148916      0.907506
  C      -4.641924      5.596903      1.433960
  C      -5.818034      1.952868      7.545228
  C      -6.973160      2.637029      8.281778
  C      -8.245313      1.762459      8.308029
  C      -8.748316      1.422294      6.931653
  N      -8.444738      0.215415      6.458007
  C      -8.846369     -0.080455      5.194024
  N      -9.506622      0.691602      4.352753
  C      -9.850280      1.930866      4.822122
  C     -10.576966      2.808456      3.981354
  C     -10.920465      4.067699      4.429066
  C     -10.560559      4.492623      5.729053
  C      -9.859655      3.653775      6.570895
  C      -9.485315      2.356870      6.138600
  H      -2.953996      2.555322      2.384589
  H      -4.561731      3.139927      2.799909
  H      -3.587472      0.411811      3.791158
  H      -4.179709      0.596071      2.140186
  H      -5.841773     -0.157959      4.086546
  H      -5.869301      1.555992      4.506554
  H      -8.619717      3.584974      1.561487
  H      -9.180104     -0.169842     -1.056824
  H      -8.183568     -2.462925     -1.069795
  H      -6.490172     -3.105047      0.634107
  H      -5.771688     -1.492409      2.360345
  H      -5.452835      6.665959      5.421460
  H      -4.569489      7.683664      6.572201
  H      -2.863768      8.225651      4.884087
  H      -4.489657      8.609762      4.313132
  H      -2.913273      7.514199      2.606522
  H      -2.953916      6.049596      3.573594
  H      -8.015024      6.790564      2.664426
  H      -6.745141      3.941293     -0.721720
  H      -4.548461      3.146075     -1.600485
  H      -2.425257      3.941591     -0.570311
  H      -2.472049      5.491347      1.354218
  H      -5.569469      0.997591      8.044290
  H      -6.162309      1.682702      6.536563
  H      -6.677967      2.863761      9.317963
  H      -7.179119      3.597746      7.785302
  H      -8.030473      0.815362      8.822788
  H      -9.027003      2.284273      8.879479
  H      -8.578517     -1.081133      4.837646
  H     -10.861901      2.453113      2.989856
  H     -11.483107      4.741436      3.780703
  H     -10.844795      5.489940      6.067177
  H      -9.594038      3.990854      7.573109
  N      -5.897266      4.089873      5.062752
  N      -6.935913      4.144071      4.536916
  H      -7.138025      3.013950      3.255843
98
Coordinates from ORCA-job orca E -6258.400492810611
  N      -3.254592      2.960846      4.419971
  Mo     -4.180394      3.927715      5.890967
  N      -4.619651      2.776039      7.431543
  C      -3.624123      2.632074      8.491683
  C      -2.249275      2.591213      7.833807
  N      -2.163138      3.701181      6.846260
  C      -1.230449      3.400777      5.727663
  C      -1.904267      2.473103      4.726291
  C      -1.850742      4.990910      7.519553
  C      -2.362755      6.145902      6.677800
  N      -3.695905      5.823495      6.172776
  H      -1.284836      2.442068      3.810542
  H      -1.923184      1.436979      5.119207
  H      -1.001539      4.355692      5.233908
  H      -0.286951      2.973712      6.109716
  H      -2.396821      7.057811      7.301966
  H      -1.659794      6.366507      5.850493
  H      -2.379665      4.985678      8.481922
  H      -0.768593      5.071564      7.720377
  H      -3.786526      1.696619      9.053535
  H      -3.682475      3.455905      9.226467
  H      -2.148371      1.646999      7.281842
  H      -1.424620      2.660551      8.564466
  C      -3.756277      2.475107      3.141806
  C      -4.252453      1.016317      3.156268
  C      -5.703247      0.854382      3.681261
  C      -6.718665      1.077351      2.610633
  N      -7.320638      2.268651      2.517498
  C      -8.233840      2.566233      1.538750
  N      -8.604638      1.723061      0.620558
  C      -8.041451      0.473609      0.652153
  C      -8.434172     -0.469990     -0.321292
  C      -7.878287     -1.733892     -0.317019
  C      -6.916071     -2.100357      0.653085
  C      -6.514092     -1.200395      1.617551
  C      -7.068029      0.103863      1.639510
  C      -4.446950      6.993998      5.714889
  C      -3.812070      7.779156      4.557137
  C      -3.544497      6.946209      3.306894
  C      -4.765831      6.483565      2.555470
  N      -5.956711      6.909284      2.952229
  C      -7.048097      6.435885      2.294529
  N      -7.076133      5.582265      1.290553
  C      -5.857918      5.156057      0.831989
  C      -5.805841      4.255735     -0.260575
  C      -4.586629      3.823101     -0.742472
  C      -3.380211      4.275714     -0.159800
  C      -3.404984      5.147192      0.910737
  C      -4.640704      5.598154      1.435730
  C      -5.817692      1.953147      7.543298
  C      -6.973422      2.635375      8.280731
  C      -8.244313      1.758903      8.306659
  C      -8.747345      1.419203      6.930206
  N      -8.442692      0.212975      6.455608
  C      -8.843916     -0.082184      5.191324
  N      -9.504519      0.690130      4.350556
  C      -9.849537      1.928612      4.821016
  C     -10.577196      2.806146      3.981051
  C     -10.922461      4.064449      4.430052
  C     -10.563339      4.488450      5.730553
  C      -9.861440      3.649650      6.571596
  C      -9.485298      2.353703      6.137982
  H      -2.954998      2.553760      2.383952
  H      -4.562343      3.139915      2.798855
  H      -3.590136      0.412256      3.793240
  H      -4.181493      0.594977      2.141828
  H      -5.845032     -0.155556      4.088226
  H      -5.871380      1.558888      4.506408
  H      -8.617717      3.587397      1.556940
  H      -9.178930     -0.169284     -1.058385
  H      -8.184343     -2.463230     -1.068365
  H      -6.493173     -3.105316      0.637763
  H      -5.775043     -1.491776      2.363322
  H      -5.451393      6.668216      5.420572
  H      -4.567919      7.684831      6.572225
  H      -2.861869      8.227945      4.884913
  H      -4.487680      8.612429      4.313753
  H      -2.911027      7.517987      2.606778
  H      -2.951943      6.052705      3.572850
  H      -8.012400      6.801657      2.660480
  H      -6.745775      3.937364     -0.714161
  H      -4.549884      3.136880     -1.590260
  H      -2.425830      3.934069     -0.563234
  H      -2.470856      5.490241      1.356198
  H      -5.568169      0.997593      8.041360
  H      -6.161898      1.683696      6.534403
  H      -6.678217      2.861768      9.316984
  H      -7.180833      3.596114      7.784922
  H      -8.027704      0.811674      8.820427
  H      -9.026579      2.278892      8.879021
  H      -8.575232     -1.082390      4.834228
  H     -10.861536      2.451475      2.989144
  H     -11.485973      4.738109      3.782363
  H     -10.849045      5.484995      6.069715
  H      -9.596536      3.985956      7.574261
  N      -5.897205      4.091514      5.061571
  N      -6.936116      4.144685      4.536159
  H      -7.138295      3.016023      3.253729
98
Coordinates from ORCA-job orca E -6258.400492173920
  N      -3.254948      2.960996      4.420355
  Mo     -4.180701      3.928044      5.891240
  N      -4.619913      2.776463      7.431903
  C      -3.624445      2.632641      8.492106
  C      -2.249585      2.591639      7.834259
  N      -2.163427      3.701498      6.846591
  C      -1.230777      3.400939      5.728008
  C      -1.904650      2.473205      4.726729
  C      -1.850967      4.991288      7.519727
  C      -2.362869      6.146198      6.677798
  N      -3.696014      5.823829      6.172746
  H      -1.285218      2.442045      3.810985
  H      -1.923632      1.437119      5.119742
  H      -1.001822      4.355793      5.234159
  H      -0.287291      2.973864      6.110081
  H      -2.396891      7.058197      7.301839
  H      -1.659864      6.366649      5.850487
  H      -2.379911      4.986223      8.482085
  H      -0.768817      5.071910      7.720568
  H      -3.786925      1.697308      9.054138
  H      -3.682779      3.456628      9.226711
  H      -2.148713      1.647363      7.282396
  H      -1.424929      2.661029      8.564911
  C      -3.756594      2.475246      3.142177
  C      -4.252835      1.016482      3.156609
  C      -5.703762      0.854628      3.681267
  C      -6.718917      1.077682      2.610407
  N      -7.320721      2.269052      2.517097
  C      -8.233609      2.566737      1.538083
  N      -8.604305      1.723580      0.619840
  C      -8.041260      0.474064      0.651586
  C      -8.433822     -0.469492     -0.321963
  C      -7.878062     -1.733451     -0.317545
  C      -6.916138     -2.100012      0.652810
  C      -6.514321     -1.200090      1.617384
  C      -7.068135      0.104221      1.639199
  C      -4.446790      6.994326      5.714372
  C      -3.811579      7.779001      4.556465
  C      -3.544130      6.945630      3.306474
  C      -4.765542      6.483512      2.554847
  N      -5.956300      6.909753      2.951406
  C      -7.047801      6.436640      2.293687
  N      -7.076060      5.582865      1.289852
  C      -5.857960      5.156118      0.831485
  C      -5.806117      4.255513     -0.260852
  C      -4.587016      3.822383     -0.742586
  C      -3.380478      4.274771     -0.159984
  C      -3.405024      5.146496      0.910359
  C      -4.640635      5.597932      1.435214
  C      -5.817650      1.953115      7.543344
  C      -6.973482      2.634548      8.281386
  C      -8.244092      1.757658      8.307006
  C      -8.747099      1.418325      6.930448
  N      -8.442405      0.212259      6.455479
  C      -8.843513     -0.082470      5.191048
  N      -9.503974      0.690149      4.350459
  C      -9.849038      1.928474      4.821300
  C     -10.576604      2.806293      3.981560
  C     -10.921952      4.064429      4.430964
  C     -10.562995      4.487973      5.731658
  C      -9.861178      3.648887      6.572485
  C      -9.484973      2.353097      6.138462
  H      -2.955260      2.553848      2.384374
  H      -4.562594      3.140093      2.799154
  H      -3.590701      0.412431      3.793780
  H      -4.181650      0.595064      2.142218
  H      -5.845674     -0.155310      4.088187
  H      -5.872040      1.559135      4.506383
  H      -8.617492      3.587898      1.556252
  H      -9.178355     -0.168713     -1.059254
  H      -8.183996     -2.462757     -1.068972
  H      -6.493338     -3.105014      0.637598
  H      -5.775491     -1.491550      2.363340
  H      -5.451248      6.668637      5.420009
  H      -4.567752      7.685452      6.571474
  H      -2.861302      8.227649      4.884206
  H      -4.486966      8.612366      4.312770
  H      -2.910114      7.516856      2.606408
  H      -2.952222      6.051810      3.572812
  H      -8.011989      6.803067      2.659281
  H      -6.746128      3.937289     -0.714387
  H      -4.550450      3.135949     -1.590210
  H      -2.426189      3.932758     -0.563322
  H      -2.470798      5.489412      1.355743
  H      -5.567790      0.997306      8.040753
  H      -6.161934      1.684258      6.534319
  H      -6.678159      2.860392      9.317724
  H      -7.181222      3.595520      7.786168
  H      -8.027151      0.810307      8.820405
  H      -9.026527      2.277151      8.879598
  H      -8.574816     -1.082568      4.833664
  H     -10.860845      2.451969      2.989502
  H     -11.485397      4.738304      3.783441
  H     -10.848768      5.484388      6.071145
  H      -9.596424      3.984834      7.575310
  N      -5.897413      4.091796      5.061642
  N      -6.936144      4.144919      4.535882
  H      -7.138484      3.016475      3.253396
98
Coordinates from ORCA-job orca E -6258.400492886539
  N      -3.255595      2.961404      4.421921
  Mo     -4.181322      3.928940      5.892415
  N      -4.620578      2.777614      7.433235
  C      -3.625465      2.634125      8.493776
  C      -2.250483      2.592675      7.836164
  N      -2.164105      3.702226      6.848159
  C      -1.231463      3.401192      5.729701
  C      -1.905441      2.473367      4.728575
  C      -1.851499      4.992187      7.520865
  C      -2.362898      6.146880      6.678343
  N      -3.696010      5.824713      6.173091
  H      -1.285904      2.441835      3.812916
  H      -1.924728      1.437384      5.121833
  H      -1.002261      4.355870      5.235633
  H      -0.288081      2.974014      6.111921
  H      -2.396794      7.059160      7.301984
  H      -1.659664      6.366786      5.851087
  H      -2.380656      4.987632      8.483107
  H      -0.769377      5.072677      7.721924
  H      -3.788309      1.699158      9.056299
  H      -3.683796      3.458572      9.227850
  H      -2.149677      1.648222      7.284592
  H      -1.425895      2.662170      8.566885
  C      -3.756965      2.475983      3.143509
  C      -4.253307      1.017254      3.157528
  C      -5.704582      0.855487      3.681248
  C      -6.719133      1.078708      2.609854
  N      -7.320782      2.270127      2.516271
  C      -8.233341      2.567808      1.536952
  N      -8.603728      1.724687      0.618565
  C      -8.040692      0.475164      0.650464
  C      -8.432849     -0.468327     -0.323304
  C      -7.877123     -1.732308     -0.318693
  C      -6.915665     -2.098943      0.652089
  C      -6.514259     -1.199076      1.616892
  C      -7.068016      0.105260      1.638497
  C      -4.445746      6.995226      5.712986
  C      -3.809519      7.777853      4.554251
  C      -3.543066      6.942719      3.305223
  C      -4.765083      6.482584      2.553331
  N      -5.955281      6.910283      2.949991
  C      -7.047416      6.438673      2.292239
  N      -7.076814      5.584985      1.288368
  C      -5.859276      5.156801      0.829844
  C      -5.808621      4.256253     -0.262593
  C      -4.590081      3.821639     -0.744423
  C      -3.382942      4.272446     -0.161840
  C      -3.406346      5.144134      0.908559
  C      -4.641364      5.597058      1.433524
  C      -5.817628      1.953223      7.543536
  C      -6.973712      2.632601      8.283158
  C      -8.243646      1.754742      8.307644
  C      -8.746250      1.416320      6.930697
  N      -8.441477      0.210579      6.454993
  C      -8.842225     -0.083246      5.190214
  N      -9.502315      0.689998      4.349949
  C      -9.847502      1.928005      4.821541
  C     -10.574820      2.806391      3.982216
  C     -10.920408      4.064173      4.432422
  C     -10.561960      4.486762      5.733561
  C      -9.860381      3.647091      6.574016
  C      -9.483895      2.351674      6.139141
  H      -2.955443      2.554713      2.385915
  H      -4.562804      3.140971      2.800418
  H      -3.591663      0.413181      3.795190
  H      -4.181436      0.595775      2.143210
  H      -5.846745     -0.154481      4.087997
  H      -5.873276      1.559932      4.506329
  H      -8.617264      3.588950      1.555052
  H      -9.177045     -0.167503     -1.060918
  H      -8.182741     -2.461563     -1.070298
  H      -6.492890     -3.103957      0.637024
  H      -5.775762     -1.490608      2.363146
  H      -5.450386      6.669982      5.418747
  H      -4.566374      7.687540      6.569174
  H      -2.858771      8.225807      4.881552
  H      -4.483954      8.611686      4.309509
  H      -2.907211      7.511729      2.605052
  H      -2.953536      6.047697      3.572893
  H      -8.011126      6.806204      2.657989
  H      -6.749027      3.939187     -0.716112
  H      -4.554431      3.135246     -1.592120
  H      -2.429108      3.929285     -0.565278
  H      -2.471681      5.485901      1.353904
  H      -5.567108      0.996547      8.038972
  H      -6.162087      1.686331      6.534056
  H      -6.678203      2.856814      9.319798
  H      -7.182072      3.594277      7.789573
  H      -8.026021      0.807064      8.820144
  H      -9.026649      2.272986      8.880612
  H      -8.573434     -1.083100      4.832242
  H     -10.858796      2.452784      2.989828
  H     -11.483664      4.738476      3.785181
  H     -10.847966      5.482882      6.073721
  H      -9.596128      3.982266      7.577235
  N      -5.897588      4.092663      5.061934
  N      -6.935573      4.145771      4.534716
  H      -7.138601      3.017581      3.252556
