101
Coordinates from ORCA-job orca E -6314.220975846116
  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
  H      -1.376234      3.606363      3.696047
  H      -2.610867      4.187348      2.808798
  H      -2.344640      2.583287      2.880829
  N      -5.511146      4.270979      4.911566
  N      -6.764979      4.920326      4.761063
101
Coordinates from ORCA-job orca E -6314.297236703269
  N      -2.906975      1.397796      5.197635
  Mo     -3.623255      3.315270      5.116456
  N      -4.521904      3.003261      6.858327
  C      -3.675832      3.085705      8.030558
  C      -2.281242      2.561475      7.690244
  N      -1.792986      3.191975      6.450819
  C      -0.785990      2.340849      5.790828
  C      -1.495321      1.185989      5.033192
  C      -1.260548      4.541249      6.720803
  C      -1.761245      5.477075      5.612123
  N      -3.174372      5.213500      5.429290
  H      -1.205601      1.203542      3.963564
  H      -1.192503      0.206823      5.437852
  H      -0.240548      2.957293      5.070111
  H      -0.070191      1.954616      6.529757
  H      -1.561217      6.519845      5.886693
  H      -1.216869      5.262201      4.679363
  H      -1.665645      4.899460      7.672173
  H      -0.165183      4.536218      6.784544
  H      -4.076453      2.481791      8.860452
  H      -3.615511      4.132075      8.383927
  H      -2.365492      1.486932      7.508263
  H      -1.579551      2.736742      8.517866
  C      -3.855848      1.069799      4.215177
  C      -4.805281     -0.096695      4.532203
  C      -6.226180      0.115413      3.958178
  C      -6.239861      0.528079      2.513439
  N      -6.221619      1.851426      2.294160
  C      -6.205734      2.262972      1.016493
  N      -6.223583      1.523644     -0.064016
  C      -6.249195      0.171314      0.121763
  C      -6.266250     -0.673859     -1.000790
  C      -6.274751     -2.043107     -0.834546
  C      -6.263264     -2.603114      0.451497
  C      -6.249668     -1.799547      1.569683
  C      -6.248019     -0.393077      1.436736
  C      -4.031918      6.316500      5.809246
  C      -3.944979      7.581422      4.924364
  C      -4.171912      7.307340      3.436534
  C      -5.552855      6.834626      3.081145
  N      -6.485970      6.819163      4.035685
  C      -7.667895      6.254984      3.724659
  N      -8.041528      5.736018      2.576276
  C      -7.146024      5.833365      1.551831
  C      -7.513185      5.380958      0.273234
  C      -6.628463      5.491631     -0.783664
  C      -5.354568      6.037080     -0.585358
  C      -4.963367      6.476676      0.664158
  C      -5.850111      6.396319      1.758590
  C      -5.888253      2.665223      7.200938
  C      -6.763639      3.868837      7.604238
  C      -8.266403      3.559453      7.692967
  C      -8.948826      3.254980      6.382446
  N      -8.216607      3.244751      5.283528
  C      -8.791612      2.944550      4.106254
  N     -10.039039      2.620470      3.922536
  C     -10.851893      2.643292      5.020260
  C     -12.219077      2.335051      4.871231
  C     -13.055859      2.359029      5.963899
  C     -12.559006      2.686682      7.237001
  C     -11.227990      2.985371      7.414838
  C     -10.342184      2.969573      6.314362
  H      -3.439416      0.957245      3.189334
  H      -4.531528      1.990766      4.252820
  H      -4.886336     -0.196772      5.619546
  H      -4.374556     -1.018092      4.125631
  H      -6.807572     -0.800406      4.093479
  H      -6.717592      0.920073      4.517839
  H      -6.177170      3.340738      0.870856
  H      -6.270712     -0.216077     -1.981587
  H      -6.289341     -2.691628     -1.701637
  H      -6.266322     -3.680275      0.565881
  H      -6.241027     -2.244642      2.556830
  H      -5.058474      5.957155      5.766837
  H      -3.815692      6.633946      6.846795
  H      -2.963100      8.054436      5.026808
  H      -4.704590      8.279475      5.285318
  H      -3.956264      8.222793      2.870486
  H      -3.457259      6.541884      3.101803
  H      -8.416884      6.233799      4.514290
  H      -8.501786      4.956724      0.146441
  H      -6.919092      5.147550     -1.768517
  H      -4.669599      6.113469     -1.421197
  H      -3.976129      6.900259      0.804009
  H      -5.906013      1.935372      8.031421
  H      -6.358654      2.198657      6.330062
  H      -6.438787      4.246203      8.579275
  H      -6.604516      4.653955      6.864292
  H      -8.441815      2.705777      8.360525
  H      -8.760451      4.430511      8.140676
  H      -8.132815      2.934909      3.244006
  H     -12.576086      2.091253      3.878462
  H     -14.107198      2.126837      5.844947
  H     -13.234112      2.703769      8.083898
  H     -10.853013      3.240641      8.397920
  N      -2.295794      3.477700      3.429238
  H      -1.328120      3.661567      3.698247
  H      -2.558772      4.233547      2.794619
  H      -2.269330      2.629941      2.859177
  N      -5.491065      4.242458      4.810765
  N      -6.675330      4.819729      4.586137
101
Coordinates from ORCA-job orca E -6314.355924124186
  N      -2.915816      1.417745      5.182562
  Mo     -3.635514      3.341040      5.105249
  N      -4.543216      3.008729      6.859381
  C      -3.689828      3.087949      8.033063
  C      -2.296070      2.571310      7.690801
  N      -1.802960      3.211020      6.451740
  C      -0.789387      2.359041      5.791711
  C      -1.498807      1.205858      5.025814
  C      -1.270986      4.565434      6.731401
  C      -1.761540      5.509111      5.626093
  N      -3.178258      5.252484      5.431349
  H      -1.199904      1.226586      3.957425
  H      -1.198284      0.223581      5.428624
  H      -0.236961      2.978822      5.076377
  H      -0.076074      1.970833      6.534511
  H      -1.560608      6.551886      5.907169
  H      -1.206218      5.299396      4.696623
  H      -1.681866      4.917379      7.684376
  H      -0.173632      4.557504      6.802146
  H      -4.085838      2.476149      8.861312
  H      -3.631666      4.134104      8.395022
  H      -2.376580      1.496403      7.502454
  H      -1.592981      2.744771      8.520759
  C      -3.867672      1.094095      4.187000
  C      -4.820615     -0.074876      4.495610
  C      -6.249085      0.115446      3.927411
  C      -6.291500      0.524221      2.481461
  N      -6.305011      1.843492      2.252986
  C      -6.314660      2.248490      0.963789
  N      -6.331504      1.495130     -0.116436
  C      -6.326009      0.143724      0.085698
  C      -6.340600     -0.718584     -1.030484
  C      -6.317846     -2.087309     -0.848230
  C      -6.276864     -2.634665      0.448844
  C      -6.265027     -1.815435      1.558781
  C      -6.294979     -0.407849      1.408433
  C      -4.031017      6.364208      5.810712
  C      -3.926904      7.633056      4.930491
  C      -4.124856      7.366094      3.435593
  C      -5.486525      6.870067      3.046926
  N      -6.430557      6.824583      3.981774
  C      -7.598063      6.208005      3.644904
  N      -7.937638      5.692513      2.479326
  C      -7.020685      5.827596      1.473056
  C      -7.344294      5.373333      0.179460
  C      -6.436617      5.514791     -0.858480
  C      -5.179120      6.095347     -0.626301
  C      -4.831048      6.538820      0.638794
  C      -5.743741      6.427421      1.713482
  C      -5.910107      2.658323      7.221770
  C      -6.798555      3.843547      7.646491
  C      -8.298717      3.519342      7.761951
  C      -8.998533      3.209356      6.460479
  N      -8.272607      3.198593      5.360189
  C      -8.849304      2.898192      4.178798
  N     -10.105386      2.573359      3.996896
  C     -10.912558      2.594554      5.103842
  C     -12.283801      2.284807      4.962907
  C     -13.117122      2.306637      6.063243
  C     -12.612363      2.634308      7.337571
  C     -11.276227      2.935056      7.507231
  C     -10.395697      2.920486      6.399186
  H      -3.447158      0.988058      3.162382
  H      -4.549019      2.013749      4.222983
  H      -4.901727     -0.175728      5.584550
  H      -4.380717     -0.993666      4.085901
  H      -6.811918     -0.813699      4.071221
  H      -6.750137      0.913599      4.490068
  H      -6.311865      3.328371      0.808307
  H      -6.368269     -0.271424     -2.020023
  H      -6.330651     -2.748448     -1.710676
  H      -6.255660     -3.713949      0.576170
  H      -6.233582     -2.249730      2.554340
  H      -5.057909      6.010392      5.756691
  H      -3.825923      6.678541      6.853388
  H      -2.945339      8.112014      5.044626
  H      -4.694548      8.326543      5.291718
  H      -3.903704      8.289512      2.878963
  H      -3.395846      6.607847      3.109338
  H      -8.366950      6.159737      4.419714
  H      -8.320074      4.919846      0.026484
  H      -6.695232      5.167185     -1.855206
  H      -4.473823      6.196300     -1.447576
  H      -3.856553      6.990776      0.805618
  H      -5.903349      1.922188      8.049237
  H      -6.389707      2.190130      6.354358
  H      -6.464438      4.223053      8.621171
  H      -6.660886      4.633563      6.905476
  H      -8.463310      2.662072      8.433244
  H      -8.789049      4.389877      8.220984
  H      -8.182867      2.891852      3.312812
  H     -12.648169      2.040967      3.968703
  H     -14.172588      2.072752      5.949290
  H     -13.284667      2.650167      8.191656
  H     -10.894175      3.191018      8.491637
  N      -2.293089      3.525728      3.397886
  H      -1.323030      3.713162      3.662980
  H      -2.563972      4.287390      2.770436
  H      -2.260215      2.683011      2.816139
  N      -5.489620      4.239747      4.770212
  N      -6.573027      4.745605      4.545434
101
Coordinates from ORCA-job orca E -6314.386052253129
  N      -2.928383      1.426531      5.165368
  Mo     -3.657566      3.354880      5.100446
  N      -4.559253      3.002547      6.869572
  C      -3.692306      3.082331      8.038958
  C      -2.299998      2.573491      7.686309
  N      -1.812780      3.222883      6.444605
  C      -0.797046      2.372916      5.776222
  C      -1.508188      1.220444      5.006029
  C      -1.284022      4.581529      6.730516
  C      -1.776003      5.531144      5.632626
  N      -3.196790      5.279386      5.436267
  H      -1.206691      1.245733      3.937579
  H      -1.203756      0.236266      5.403744
  H      -0.244605      2.998461      5.063835
  H      -0.079740      1.984470      6.516886
  H      -1.574880      6.573860      5.919016
  H      -1.215236      5.329949      4.702953
  H      -1.694542      4.924464      7.688169
  H      -0.184937      4.572796      6.801072
  H      -4.077607      2.463736      8.868510
  H      -3.635174      4.127839      8.408650
  H      -2.375009      1.498362      7.492156
  H      -1.589978      2.746597      8.512693
  C      -3.886136      1.104842      4.164832
  C      -4.835441     -0.067431      4.470999
  C      -6.266047      0.118622      3.910476
  C      -6.315357      0.532072      2.465149
  N      -6.340050      1.850273      2.230884
  C      -6.353324      2.249268      0.934846
  N      -6.365501      1.487451     -0.144567
  C      -6.349880      0.136610      0.067784
  C      -6.359418     -0.736783     -1.043692
  C      -6.326135     -2.105710     -0.851970
  C      -6.279336     -2.644962      0.451064
  C      -6.272315     -1.815081      1.555601
  C      -6.313239     -0.406789      1.394064
  C      -4.043770      6.400226      5.821399
  C      -3.926175      7.669240      4.940249
  C      -4.107014      7.408844      3.439941
  C      -5.457001      6.900022      3.017501
  N      -6.420289      6.836638      3.927317
  C      -7.566868      6.177140      3.566315
  N      -7.873151      5.665702      2.389813
  C      -6.932550      5.824372      1.404949
  C      -7.213502      5.362885      0.102557
  C      -6.280056      5.515038     -0.912063
  C      -5.036769      6.118089     -0.648756
  C      -4.731579      6.572008      0.625899
  C      -5.672486      6.447668      1.676681
  C      -5.923746      2.638021      7.239186
  C      -6.819967      3.811275      7.679931
  C      -8.316982      3.479060      7.813581
  C      -9.029895      3.166658      6.517915
  N      -8.308999      3.143333      5.414437
  C      -8.896187      2.842787      4.233629
  N     -10.162414      2.533747      4.056352
  C     -10.959691      2.566145      5.171491
  C     -12.337000      2.270461      5.041195
  C     -13.163612      2.302123      6.148382
  C     -12.646709      2.626690      7.420938
  C     -11.304249      2.914497      7.579862
  C     -10.431773      2.888397      6.464689
  H      -3.468367      1.008155      3.139184
  H      -4.580119      2.019889      4.201865
  H      -4.911254     -0.172323      5.561345
  H      -4.391111     -0.984303      4.056645
  H      -6.822775     -0.816044      4.055892
  H      -6.769588      0.911904      4.479237
  H      -6.358690      3.330428      0.770110
  H      -6.391740     -0.296294     -2.038833
  H      -6.335120     -2.774779     -1.711548
  H      -6.249938     -3.725531      0.586412
  H      -6.236406     -2.242395      2.556549
  H      -5.073902      6.058106      5.767025
  H      -3.840178      6.710906      6.866573
  H      -2.942331      8.146640      5.061550
  H      -4.694383      8.364909      5.302426
  H      -3.875547      8.335018      2.888188
  H      -3.368680      6.653120      3.124075
  H      -8.353940      6.111489      4.323643
  H      -8.178406      4.889908     -0.075084
  H      -6.506698      5.158393     -1.915978
  H      -4.309578      6.228499     -1.452723
  H      -3.767937      7.042443      0.818305
  H      -5.900212      1.894995      8.061347
  H      -6.406239      2.169067      6.372133
  H      -6.478373      4.191691      8.653973
  H      -6.697574      4.607990      6.940283
  H      -8.476045      2.621946      8.490058
  H      -8.803963      4.349835      8.280098
  H      -8.227961      2.823468      3.363981
  H     -12.712412      2.028436      4.048040
  H     -14.224469      2.078376      6.041338
  H     -13.314078      2.650927      8.281714
  H     -10.911636      3.169170      8.563222
  N      -2.316876      3.567185      3.356122
  H      -1.343217      3.762204      3.606507
  H      -2.605776      4.332375      2.739900
  H      -2.280955      2.731029      2.762833
  N      -5.502778      4.215075      4.739058
  N      -6.510814      4.657552      4.525242
101
Coordinates from ORCA-job orca E -6314.405255826376
  N      -2.944870      1.426338      5.145377
  Mo     -3.687894      3.358142      5.106316
  N      -4.563169      2.985607      6.891742
  C      -3.677208      3.065956      8.050017
  C      -2.288976      2.563763      7.676945
  N      -1.819616      3.224629      6.430198
  C      -0.808012      2.380021      5.742842
  C      -1.524139      1.230374      4.971138
  C      -1.295785      4.586422      6.719448
  C      -1.802542      5.540539      5.633894
  N      -3.227731      5.290406      5.447762
  H      -1.227576      1.261944      3.900810
  H      -1.210026      0.244571      5.359043
  H      -0.262115      3.014397      5.031676
  H      -0.079751      1.991026      6.473860
  H      -1.601528      6.583018      5.925193
  H      -1.243031      5.353000      4.699301
  H      -1.698581      4.917388      7.685433
  H      -0.194971      4.579445      6.781645
  H      -4.046768      2.441320      8.883223
  H      -3.617848      4.109779      8.428037
  H      -2.358604      1.488888      7.476090
  H      -1.565731      2.735753      8.493662
  C      -3.911605      1.104782      4.149766
  C      -4.850534     -0.074256      4.457384
  C      -6.281169      0.113945      3.903736
  C      -6.320056      0.529131      2.457015
  N      -6.344303      1.845976      2.211325
  C      -6.340545      2.234333      0.909768
  N      -6.339153      1.462807     -0.164541
  C      -6.326366      0.113406      0.060736
  C      -6.322763     -0.771865     -1.042911
  C      -6.291092     -2.140132     -0.838746
  C      -6.258974     -2.668140      0.470048
  C      -6.265064     -1.826378      1.567065
  C      -6.305178     -0.418652      1.391602
  C      -4.068295      6.419226      5.844906
  C      -3.939579      7.684312      4.956765
  C      -4.119555      7.434264      3.451973
  C      -5.472064      6.946240      2.992607
  N      -6.467930      6.898237      3.868383
  C      -7.604457      6.232534      3.479784
  N      -7.884722      5.730188      2.295006
  C      -6.909539      5.874262      1.340279
  C      -7.152752      5.401826      0.034122
  C      -6.180341      5.518748     -0.947123
  C      -4.935673      6.104859     -0.648690
  C      -4.669120      6.574372      0.629896
  C      -5.649185      6.480235      1.648508
  C      -5.922327      2.605537      7.262279
  C      -6.822514      3.766708      7.726929
  C      -8.314606      3.425159      7.871128
  C      -9.029584      3.126861      6.572531
  N      -8.302862      3.097285      5.472214
  C      -8.895594      2.818962      4.286067
  N     -10.171615      2.544982      4.097791
  C     -10.967711      2.578668      5.213400
  C     -12.351654      2.313207      5.077809
  C     -13.179489      2.346141      6.184380
  C     -12.658701      2.643283      7.463059
  C     -11.310316      2.902541      7.626834
  C     -10.436887      2.872318      6.512393
  H      -3.504230      1.020946      3.119811
  H      -4.624063      2.012924      4.192743
  H      -4.915210     -0.184833      5.548930
  H      -4.404172     -0.989401      4.037874
  H      -6.838623     -0.821877      4.048034
  H      -6.785285      0.904293      4.477118
  H      -6.342816      3.316045      0.731080
  H      -6.343737     -0.340137     -2.044025
  H      -6.289954     -2.818158     -1.693462
  H      -6.230814     -3.749012      0.615716
  H      -6.240641     -2.244924      2.573680
  H      -5.105527      6.093799      5.803764
  H      -3.852788      6.725568      6.889513
  H      -2.947185      8.145918      5.081884
  H      -4.695577      8.395095      5.320213
  H      -3.862405      8.356116      2.901744
  H      -3.385440      6.668951      3.145902
  H      -8.414187      6.175459      4.216155
  H      -8.119534      4.940516     -0.171166
  H      -6.377338      5.148646     -1.954122
  H      -4.177098      6.189885     -1.428492
  H      -3.703580      7.031930      0.850396
  H      -5.886585      1.850163      8.073547
  H      -6.405010      2.141649      6.391659
  H      -6.471719      4.139098      8.702381
  H      -6.715508      4.578139      6.997597
  H      -8.469659      2.563764      8.545588
  H      -8.803508      4.289884      8.349807
  H      -8.221678      2.793844      3.418230
  H     -12.731682      2.092106      4.079825
  H     -14.245952      2.144906      6.072269
  H     -13.327712      2.669724      8.324458
  H     -10.913748      3.137518      8.615287
  N      -2.374576      3.603054      3.309734
  H      -1.395747      3.808170      3.533232
  H      -2.691465      4.370976      2.710344
  H      -2.343017      2.775097      2.703565
  N      -5.526830      4.179395      4.727191
  N      -6.554215      4.609647      4.514614
101
Coordinates from ORCA-job orca E -6314.419594319765
  N      -2.945583      1.427803      5.130692
  Mo     -3.704803      3.363080      5.114055
  N      -4.558868      2.971681      6.911371
  C      -3.662071      3.056898      8.060675
  C      -2.275263      2.562024      7.673874
  N      -1.819133      3.232396      6.423605
  C      -0.809620      2.395356      5.720735
  C      -1.524727      1.247225      4.946105
  C      -1.304748      4.598205      6.715928
  C      -1.824421      5.554312      5.640293
  N      -3.251077      5.301428      5.458880
  H      -1.229843      1.286190      3.875081
  H      -1.198650      0.261225      5.325179
  H      -0.270736      3.040368      5.012781
  H      -0.071493      2.008004      6.443684
  H      -1.627040      6.596844      5.936401
  H      -1.262684      5.381386      4.703044
  H      -1.703930      4.916423      7.688064
  H      -0.203081      4.595488      6.774263
  H      -4.019876      2.427667      8.896420
  H      -3.604472      4.098904      8.445041
  H      -2.336824      1.487522      7.467071
  H      -1.542727      2.735037      8.482787
  C      -3.915962      1.103267      4.137028
  C      -4.840585     -0.087558      4.444786
  C      -6.275159      0.095039      3.902541
  C      -6.316024      0.524331      2.460421
  N      -6.354631      1.842279      2.226518
  C      -6.344281      2.242278      0.928486
  N      -6.326249      1.481121     -0.153951
  C      -6.302294      0.129275      0.060112
  C      -6.282434     -0.747186     -1.051053
  C      -6.238150     -2.117305     -0.859312
  C      -6.209154     -2.657238      0.444867
  C      -6.231085     -1.824161      1.549174
  C      -6.284874     -0.415066      1.385527
  C      -4.100123      6.424545      5.859942
  C      -3.970473      7.683627      4.966774
  C      -4.135409      7.433616      3.461445
  C      -5.480245      6.946292      2.970876
  N      -6.503239      6.905701      3.815466
  C      -7.625649      6.239299      3.398061
  N      -7.876528      5.737265      2.208292
  C      -6.872793      5.871880      1.282239
  C      -7.081063      5.391513     -0.027791
  C      -6.077355      5.486237     -0.977875
  C      -4.835854      6.063318     -0.646115
  C      -4.605698      6.544177      0.635569
  C      -5.618046      6.468279      1.624396
  C      -5.914198      2.572494      7.270336
  C      -6.827391      3.720172      7.740072
  C      -8.319120      3.374825      7.892150
  C      -9.054773      3.079598      6.601344
  N      -8.342683      3.016868      5.491870
  C      -8.963224      2.756102      4.313890
  N     -10.253088      2.537618      4.138449
  C     -11.028825      2.597004      5.267043
  C     -12.424113      2.381860      5.152191
  C     -13.233993      2.440846      6.270765
  C     -12.685003      2.716630      7.542871
  C     -11.325708      2.928638      7.686114
  C     -10.470583      2.868313      6.559115
  H      -3.515872      1.033846      3.104207
  H      -4.651609      1.999656      4.179424
  H      -4.893393     -0.207157      5.536609
  H      -4.385923     -0.996632      4.019141
  H      -6.826355     -0.845431      4.042467
  H      -6.782572      0.874864      4.487690
  H      -6.353292      3.325577      0.757298
  H      -6.301106     -0.306849     -2.049212
  H      -6.224490     -2.787993     -1.720470
  H      -6.171019     -3.739591      0.580896
  H      -6.209094     -2.251819      2.552374
  H      -5.141180      6.098228      5.823083
  H      -3.885293      6.728612      6.904850
  H      -2.978327      8.143963      5.102029
  H      -4.725981      8.400368      5.322578
  H      -3.865158      8.351919      2.910716
  H      -3.394736      6.668852      3.169170
  H      -8.448837      6.172444      4.119437
  H      -8.045961      4.937005     -0.258598
  H      -6.246231      5.106633     -1.987091
  H      -4.051839      6.132822     -1.402657
  H      -3.642994      6.995853      0.881430
  H      -5.869911      1.809625      8.075244
  H      -6.385920      2.107236      6.395398
  H      -6.473872      4.093378      8.715116
  H      -6.729900      4.539257      7.015105
  H      -8.473618      2.519462      8.575466
  H      -8.803348      4.241190      8.374164
  H      -8.298757      2.702656      3.437615
  H     -12.827639      2.176746      4.159369
  H     -14.308969      2.277343      6.173492
  H     -13.340131      2.764979      8.414595
  H     -10.906426      3.148636      8.669287
  N      -2.417618      3.645518      3.260913
  H      -1.436147      3.865318      3.457617
  H      -2.767436      4.414271      2.681149
  H      -2.387636      2.826817      2.642123
  N      -5.526932      4.134359      4.697457
  N      -6.565917      4.540302      4.493607
101
Coordinates from ORCA-job orca E -6314.430648465765
  N      -2.958882      1.436201      5.107576
  Mo     -3.727816      3.375628      5.122641
  N      -4.556038      2.964053      6.928533
  C      -3.649928      3.045892      8.067062
  C      -2.266943      2.554879      7.663403
  N      -1.824865      3.237651      6.413207
  C      -0.822140      2.410980      5.689444
  C      -1.539486      1.270020      4.908839
  C      -1.316543      4.603903      6.712820
  C      -1.849217      5.565973      5.651277
  N      -3.275726      5.312567      5.475320
  H      -1.250115      1.320937      3.836434
  H      -1.201615      0.282078      5.273975
  H      -0.291889      3.069134      4.986708
  H      -0.073296      2.019882      6.399970
  H      -1.653064      6.606934      5.955626
  H      -1.289319      5.409028      4.709584
  H      -1.709453      4.907499      7.692239
  H      -0.214356      4.604200      6.765016
  H      -3.998904      2.411090      8.903065
  H      -3.589941      4.084205      8.460426
  H      -2.324999      1.482125      7.446710
  H      -1.524511      2.723306      8.464379
  C      -3.932063      1.112518      4.116055
  C      -4.842969     -0.093113      4.417620
  C      -6.281504      0.070373      3.877988
  C      -6.323276      0.494528      2.434548
  N      -6.384098      1.809214      2.193893
  C      -6.364564      2.203902      0.894995
  N      -6.319735      1.439835     -0.184730
  C      -6.276357      0.089278      0.035932
  C      -6.229346     -0.791600     -1.070864
  C      -6.163912     -2.159745     -0.872914
  C      -6.140140     -2.693900      0.433778
  C      -6.188534     -1.856278      1.533983
  C      -6.264826     -0.449478      1.363439
  C      -4.133586      6.425367      5.882198
  C      -4.004711      7.685256      4.994288
  C      -4.150480      7.441501      3.488440
  C      -5.486600      6.959015      2.971708
  N      -6.530904      6.927985      3.790922
  C      -7.645870      6.273925      3.347365
  N      -7.875926      5.777992      2.150613
  C      -6.848066      5.898077      1.250602
  C      -7.029638      5.414047     -0.063045
  C      -5.997230      5.479118     -0.982937
  C      -4.754897      6.036796     -0.619950
  C      -4.553102      6.525536      0.663177
  C      -5.593694      6.473901      1.624427
  C      -5.906898      2.550224      7.280838
  C      -6.825147      3.686067      7.763241
  C      -8.314617      3.337404      7.923367
  C      -9.060425      3.045101      6.638526
  N      -8.353972      2.947405      5.526979
  C      -8.990010      2.705284      4.353292
  N     -10.288220      2.543167      4.180798
  C     -11.055502      2.628305      5.314012
  C     -12.458554      2.463563      5.206394
  C     -13.260327      2.548721      6.328913
  C     -12.696020      2.803090      7.598911
  C     -11.329374      2.967915      7.734665
  C     -10.482582      2.877981      6.603321
  H      -3.538357      1.060158      3.080199
  H      -4.687908      1.996014      4.160092
  H      -4.886983     -0.219725      5.509183
  H      -4.376629     -0.995029      3.988658
  H      -6.819875     -0.877543      4.018657
  H      -6.800455      0.841510      4.464890
  H      -6.387260      3.285583      0.717842
  H      -6.244293     -0.356078     -2.071322
  H      -6.129300     -2.833694     -1.731012
  H      -6.085207     -3.774900      0.574749
  H      -6.170591     -2.279702      2.539133
  H      -5.174451      6.092863      5.846055
  H      -3.921223      6.722469      6.929197
  H      -3.014979      8.146692      5.144487
  H      -4.761751      8.404054      5.343853
  H      -3.868639      8.359199      2.942313
  H      -3.403681      6.679615      3.204322
  H      -8.477801      6.198754      4.057368
  H      -7.995764      4.974897     -0.317382
  H      -6.143442      5.093004     -1.993251
  H      -3.948310      6.085387     -1.354090
  H      -3.589824      6.962928      0.931688
  H      -5.854329      1.777175      8.076210
  H      -6.374574      2.089414      6.401674
  H      -6.466754      4.057245      8.737694
  H      -6.735931      4.511878      7.044399
  H      -8.468901      2.486575      8.612541
  H      -8.795903      4.204520      8.407502
  H      -8.329527      2.625131      3.476050
  H     -12.874813      2.274354      4.215579
  H     -14.340897      2.422931      6.236497
  H     -13.344497      2.873084      8.474149
  H     -10.897744      3.172340      8.715787
  N      -2.476765      3.698515      3.212583
  H      -1.493459      3.931120      3.380969
  H      -2.861167      4.469993      2.658793
  H      -2.453847      2.890792      2.579543
  N      -5.531300      4.102824      4.673215
  N      -6.585319      4.492734      4.483893
101
Coordinates from ORCA-job orca E -6314.439338613193
  N      -2.967707      1.442497      5.090543
  Mo     -3.748677      3.383407      5.134319
  N      -4.551588      2.959549      6.944072
  C      -3.639230      3.041256      8.074156
  C      -2.258453      2.553330      7.657415
  N      -1.830303      3.245074      6.406615
  C      -0.833303      2.430804      5.662980
  C      -1.549687      1.294084      4.877661
  C      -1.330413      4.612684      6.710459
  C      -1.877433      5.575871      5.659623
  N      -3.301879      5.316622      5.488180
  H      -1.267507      1.355944      3.803689
  H      -1.196994      0.306119      5.230195
  H      -0.314377      3.102438      4.964437
  H      -0.072648      2.038001      6.360524
  H      -1.685372      6.616522      5.969249
  H      -1.320035      5.432334      4.714201
  H      -1.718058      4.904772      7.695452
  H      -0.227913      4.619645      6.756861
  H      -3.981440      2.404224      8.911630
  H      -3.577544      4.077448      8.472494
  H      -2.313089      1.481737      7.434275
  H      -1.508087      2.719790      8.451476
  C      -3.941804      1.113684      4.102418
  C      -4.831329     -0.110713      4.399026
  C      -6.273722      0.033933      3.867274
  C      -6.322706      0.467860      2.427781
  N      -6.410575      1.781980      2.199389
  C      -6.390136      2.191801      0.905886
  N      -6.320265      1.441045     -0.181608
  C      -6.251723      0.089205      0.025628
  C      -6.179495     -0.778461     -1.090099
  C      -6.087784     -2.146533     -0.906311
  C      -6.062133     -2.694508      0.394730
  C      -6.134978     -1.870244      1.503279
  C      -6.238643     -0.464084      1.347224
  C      -4.172962      6.417230      5.894390
  C      -4.045625      7.678490      5.011608
  C      -4.162306      7.434096      3.505290
  C      -5.486154      6.949207      2.963978
  N      -6.550189      6.931943      3.758867
  C      -7.659877      6.292276      3.292352
  N      -7.869172      5.796003      2.090837
  C      -6.818026      5.894811      1.216936
  C      -6.974147      5.403629     -0.098354
  C      -5.915489      5.437942     -0.989104
  C      -4.672848      5.975748     -0.596748
  C      -4.497127      6.474827      0.685828
  C      -5.563872      6.451048      1.619689
  C      -5.899143      2.531710      7.286664
  C      -6.824932      3.658268      7.772887
  C      -8.312008      3.304332      7.939105
  C      -9.072180      3.012133      6.662994
  N      -8.380622      2.878952      5.544626
  C      -9.041044      2.657684      4.379839
  N     -10.346256      2.552611      4.220309
  C     -11.096547      2.663397      5.362537
  C     -12.505782      2.550247      5.271450
  C     -13.290569      2.661871      6.403325
  C     -12.702467      2.893989      7.666705
  C     -11.329442      3.010648      7.785646
  C     -10.499675      2.891055      6.644347
  H      -3.554745      1.077365      3.063312
  H      -4.716753      1.979884      4.145577
  H      -4.864823     -0.247364      5.489790
  H      -4.351755     -1.002674      3.963382
  H      -6.797291     -0.922994      4.003018
  H      -6.802460      0.791243      4.463128
  H      -6.431480      3.274751      0.741102
  H      -6.196451     -0.332838     -2.085958
  H      -6.033745     -2.810190     -1.771260
  H      -5.986448     -3.775534      0.524256
  H      -6.115538     -2.304510      2.503628
  H      -5.210590      6.073193      5.854683
  H      -3.968575      6.710978      6.943882
  H      -3.062122      8.147002      5.180909
  H      -4.809502      8.395912      5.348847
  H      -3.871212      8.350716      2.961889
  H      -3.405142      6.677578      3.234217
  H      -8.500414      6.213632      3.991659
  H      -7.941426      4.980793     -0.374626
  H      -6.040487      5.043887     -1.999119
  H      -3.845788      6.001802     -1.308773
  H      -3.533770      6.898827      0.974417
  H      -5.841635      1.752245      8.075822
  H      -6.359365      2.072291      6.403501
  H      -6.464265      4.031138      8.745999
  H      -6.742471      4.488193      7.057096
  H      -8.461864      2.458893      8.635845
  H      -8.792497      4.171298      8.424237
  H      -8.394696      2.554602      3.495241
  H     -12.940734      2.377605      4.285741
  H     -14.375833      2.574624      6.323533
  H     -13.337223      2.985604      8.549801
  H     -10.879353      3.198382      8.761620
  N      -2.539985      3.741959      3.169981
  H      -1.556578      3.990358      3.309982
  H      -2.960742      4.512560      2.642312
  H      -2.524792      2.942703      2.526636
  N      -5.538245      4.061588      4.645848
  N      -6.602884      4.434758      4.469461
101
Coordinates from ORCA-job orca E -6314.446405422155
  N      -2.984778      1.451862      5.064881
  Mo     -3.773204      3.393420      5.145035
  N      -4.549146      2.958474      6.954642
  C      -3.629323      3.033537      8.076837
  C      -2.252680      2.545355      7.644701
  N      -1.839209      3.248186      6.395485
  C      -0.850595      2.448327      5.627606
  C      -1.568727      1.319104      4.835433
  C      -1.344350      4.615259      6.706691
  C      -1.905493      5.583232      5.669616
  N      -3.328150      5.318564      5.503537
  H      -1.296836      1.394230      3.759660
  H      -1.202199      0.330013      5.171993
  H      -0.344309      3.134429      4.933781
  H      -0.077589      2.050194      6.308824
  H      -1.716150      6.622323      5.987053
  H      -1.353727      5.453835      4.718872
  H      -1.724756      4.895216      7.697956
  H      -0.241563      4.628029      6.745424
  H      -3.966788      2.394182      8.914537
  H      -3.561945      4.066814      8.481075
  H      -2.308352      1.475617      7.413042
  H      -1.493978      2.705622      8.432057
  C      -3.960560      1.118532      4.080455
  C      -4.828082     -0.126060      4.367848
  C      -6.272587     -0.006387      3.837274
  C      -6.325447      0.423982      2.397346
  N      -6.442113      1.734092      2.166254
  C      -6.416694      2.144434      0.873531
  N      -6.315567      1.395615     -0.212539
  C      -6.219709      0.046052     -0.003437
  C      -6.115601     -0.820152     -1.117829
  C      -5.995419     -2.185241     -0.931908
  C      -5.972244     -2.732055      0.369841
  C      -6.076020     -1.909400      1.476696
  C      -6.209379     -0.506465      1.318422
  C      -4.211368      6.407370      5.912415
  C      -4.088362      7.677183      5.043852
  C      -4.176949      7.441500      3.536064
  C      -5.489636      6.954926      2.973963
  N      -6.569308      6.948898      3.749451
  C      -7.677963      6.329597      3.260621
  N      -7.871285      5.838948      2.052649
  C      -6.800114      5.916932      1.202426
  C      -6.934720      5.422372     -0.114752
  C      -5.852435      5.424086     -0.977567
  C      -4.608826      5.938135     -0.557542
  C      -4.454757      6.444899      0.724603
  C      -5.544272      6.448983      1.632620
  C      -5.893959      2.521061      7.293903
  C      -6.820344      3.641726      7.789558
  C      -8.303579      3.282524      7.967586
  C      -9.072212      2.985239      6.699509
  N      -8.387506      2.807205      5.582749
  C      -9.061015      2.602475      4.422358
  N     -10.369517      2.556613      4.265018
  C     -11.112682      2.701888      5.408108
  C     -12.525216      2.642729      5.320678
  C     -13.302205      2.788952      6.453851
  C     -12.702099      3.004530      7.714398
  C     -11.325513      3.070862      7.829074
  C     -10.503475      2.913776      6.686446
  H      -3.579884      1.099175      3.038200
  H      -4.749339      1.967394      4.125931
  H      -4.854861     -0.271207      5.457738
  H      -4.333470     -1.007637      3.927531
  H      -6.779046     -0.972818      3.971823
  H      -6.815452      0.740442      4.433799
  H      -6.478659      3.225820      0.709301
  H      -6.131340     -0.375656     -2.114064
  H      -5.916820     -2.847866     -1.795628
  H      -5.873978     -3.810962      0.500845
  H      -6.058416     -2.342834      2.477421
  H      -5.245001      6.051145      5.866588
  H      -4.014632      6.693125      6.965661
  H      -3.112869      8.154586      5.234055
  H      -4.861385      8.387598      5.374141
  H      -3.880356      8.361536      3.001060
  H      -3.408943      6.693837      3.271684
  H      -8.525621      6.246234      3.950769
  H      -7.903880      5.018935     -0.412129
  H      -5.959650      5.024180     -1.987165
  H      -3.763902      5.940780     -1.248613
  H      -3.490394      6.852844      1.032207
  H      -5.831404      1.734975      8.076051
  H      -6.353848      2.066405      6.408282
  H      -6.452452      4.016573      8.759252
  H      -6.746034      4.474152      7.075268
  H      -8.446556      2.443372      8.673347
  H      -8.784239      4.150149      8.451087
  H      -8.422694      2.467863      3.537285
  H     -12.969099      2.481775      4.337096
  H     -14.390069      2.742043      6.377231
  H     -13.330265      3.123831      8.598758
  H     -10.866673      3.246089      8.803097
  N      -2.613146      3.786117      3.132325
  H      -1.629942      4.048050      3.244585
  H      -3.067360      4.556109      2.632814
  H      -2.609656      2.995308      2.479159
  N      -5.557013      4.031182      4.623390
  N      -6.628234      4.394701      4.458841
101
Coordinates from ORCA-job orca E -6314.452392784337
  N      -2.998014      1.459140      5.044081
  Mo     -3.797344      3.397778      5.158995
  N      -4.546010      2.959686      6.965810
  C      -3.618924      3.031181      8.081755
  C      -2.245663      2.542907      7.635569
  N      -1.848231      3.253897      6.386213
  C      -0.866590      2.469593      5.595087
  C      -1.583864      1.344428      4.797920
  C      -1.360160      4.622363      6.700666
  C      -1.937218      5.590828      5.674324
  N      -3.357568      5.315688      5.514844
  H      -1.323857      1.431181      3.720135
  H      -1.201394      0.356027      5.120291
  H      -0.375423      3.169405      4.904128
  H      -0.080220      2.069283      6.259913
  H      -1.753236      6.629794      5.996047
  H      -1.392258      5.472825      4.718042
  H      -1.733410      4.893505      7.697021
  H      -0.257160      4.643478      6.731129
  H      -3.952053      2.392055      8.921151
  H      -3.546733      4.063045      8.487773
  H      -2.302082      1.474298      7.398681
  H      -1.479375      2.699775      8.416222
  C      -3.975461      1.111970      4.065196
  C      -4.811942     -0.156231      4.345802
  C      -6.259251     -0.057946      3.821724
  C      -6.320226      0.386763      2.386735
  N      -6.467454      1.695749      2.172052
  C      -6.443095      2.126269      0.885746
  N      -6.314071      1.395577     -0.209348
  C      -6.188773      0.045990     -0.018089
  C      -6.056323     -0.801567     -1.144073
  C      -5.906160     -2.165502     -0.976266
  C      -5.880391     -2.730565      0.317991
  C      -6.011451     -1.926921      1.435306
  C      -6.175710     -0.525488      1.295779
  C      -4.254819      6.393420      5.922144
  C      -4.135294      7.669724      5.064636
  C      -4.190117      7.435921      3.555957
  C      -5.489295      6.940851      2.972651
  N      -6.585487      6.950162      3.726307
  C      -7.692933      6.350413      3.215089
  N      -7.867357      5.858192      2.003708
  C      -6.774756      5.907929      1.180312
  C      -6.885738      5.404172     -0.136061
  C      -5.781012      5.373015     -0.969981
  C      -4.538363      5.865459     -0.522704
  C      -4.407043      6.384264      0.757382
  C      -5.519080      6.419433      1.637455
  C      -5.888659      2.512907      7.303183
  C      -6.817946      3.629198      7.802060
  C      -8.298058      3.263873      7.990504
  C      -9.079110      2.962242      6.731043
  N      -8.407933      2.743193      5.612521
  C      -9.098852      2.557053      4.458637
  N     -10.408869      2.566718      4.308912
  C     -11.138821      2.743679      5.455892
  C     -12.552834      2.736239      5.377497
  C     -13.316432      2.914295      6.515255
  C     -12.699921      3.112333      7.770572
  C     -11.321123      3.130434      7.875701
  C     -10.512499      2.939407      6.728456
  H      -3.602640      1.107670      3.019415
  H      -4.777249      1.939467      4.112172
  H      -4.829522     -0.313523      5.434320
  H      -4.301573     -1.024620      3.896931
  H      -6.748919     -1.034296      3.947728
  H      -6.813307      0.673382      4.426940
  H      -6.528358      3.208618      0.738943
  H      -6.074950     -0.343447     -2.134004
  H      -5.805793     -2.813727     -1.848583
  H      -5.758440     -3.808695      0.434283
  H      -5.991713     -2.374224      2.429843
  H      -5.283566      6.024358      5.867678
  H      -4.068647      6.674097      6.978849
  H      -3.170234      8.159181      5.277203
  H      -4.921118      8.371117      5.382834
  H      -3.889793      8.357898      3.025910
  H      -3.408284      6.698209      3.305591
  H      -8.550967      6.270781      3.892696
  H      -7.855517      5.018809     -0.454615
  H      -5.869814      4.964117     -1.977749
  H      -3.676126      5.843439     -1.191699
  H      -3.443198      6.778830      1.083577
  H      -5.822160      1.723473      8.081505
  H      -6.346784      2.060486      6.416352
  H      -6.444287      4.008419      8.767942
  H      -6.751472      4.462165      7.087167
  H      -8.430920      2.429905      8.704520
  H      -8.779504      4.130814      8.474052
  H      -8.474380      2.396742      3.568816
  H     -13.008768      2.587567      4.397535
  H     -14.405751      2.906097      6.446228
  H     -13.317058      3.256750      8.658928
  H     -10.850546      3.291986      8.846434
  N      -2.692614      3.818810      3.100038
  H      -1.711333      4.097593      3.182894
  H      -3.181529      4.584202      2.626735
  H      -2.700438      3.033357      2.441208
  N      -5.582705      3.989008      4.600778
  N      -6.659742      4.343921      4.440871
101
Coordinates from ORCA-job orca E -6314.457489684153
  N      -3.016209      1.472045      5.015084
  Mo     -3.821234      3.406318      5.173383
  N      -4.544403      2.961871      6.974876
  C      -3.608427      3.022549      8.085133
  C      -2.240372      2.533486      7.621320
  N      -1.858296      3.256453      6.374598
  C      -0.885040      2.488665      5.558133
  C      -1.604246      1.371558      4.752483
  C      -1.372647      4.624420      6.696176
  C      -1.962678      5.598795      5.683523
  N      -3.381881      5.316495      5.531232
  H      -1.356808      1.472906      3.673098
  H      -1.209465      0.381958      5.057598
  H      -0.407722      3.202377      4.871844
  H      -0.086775      2.082694      6.205326
  H      -1.781447      6.635980      6.012668
  H      -1.426024      5.492650      4.720850
  H      -1.737506      4.885629      7.698204
  H      -0.269449      4.650413      6.717717
  H      -3.938152      2.381022      8.923647
  H      -3.528931      4.051542      8.495821
  H      -2.300967      1.467125      7.375164
  H      -1.465927      2.682014      8.395500
  C      -3.995749      1.110667      4.040792
  C      -4.801369     -0.181249      4.310729
  C      -6.250760     -0.112216      3.787642
  C      -6.320108      0.332487      2.353147
  N      -6.502070      1.636106      2.139906
  C      -6.477336      2.071190      0.854870
  N      -6.315591      1.347577     -0.240264
  C      -6.156992      0.001741     -0.050978
  C      -5.990846     -0.839172     -1.177946
  C      -5.806685     -2.198633     -1.011531
  C      -5.779376     -2.766444      0.281955
  C      -5.942754     -1.969634      1.399458
  C      -6.142138     -0.572725      1.261272
  C      -4.289062      6.385324      5.940905
  C      -4.174101      7.669956      5.096857
  C      -4.203830      7.443937      3.586809
  C      -5.493582      6.943454      2.988752
  N      -6.600639      6.965036      3.727253
  C      -7.710116      6.387156      3.197185
  N      -7.873068      5.899178      1.981488
  C      -6.764727      5.923608      1.178933
  C      -6.859137      5.413946     -0.136719
  C      -5.737278      5.349762     -0.946313
  C      -4.494109      5.818780     -0.477111
  C      -4.378560      6.346995      0.801083
  C      -5.507421      6.411814      1.658100
  C      -5.885483      2.508863      7.315252
  C      -6.813237      3.622294      7.822073
  C      -8.290096      3.251955      8.022816
  C      -9.078856      2.944174      6.769899
  N      -8.414763      2.677263      5.657160
  C      -9.112212      2.504694      4.504764
  N     -10.420229      2.570469      4.351296
  C     -11.144848      2.787481      5.494834
  C     -12.557756      2.833465      5.413197
  C     -13.316061      3.050749      6.547811
  C     -12.694059      3.236697      7.802152
  C     -11.315660      3.204871      7.909789
  C     -10.512488      2.972915      6.766118
  H      -3.629553      1.122111      2.992142
  H      -4.806300      1.918337      4.092846
  H      -4.814110     -0.348495      5.397970
  H      -4.272879     -1.035638      3.855829
  H      -6.720100     -1.098990      3.911034
  H      -6.819853      0.606858      4.393606
  H      -6.588464      3.151159      0.712388
  H      -6.011640     -0.379067     -2.166896
  H      -5.680465     -2.841847     -1.884214
  H      -5.630466     -3.841323      0.396842
  H      -5.921621     -2.418568      2.393263
  H      -5.314051      6.006861      5.878003
  H      -4.110693      6.657886      7.001248
  H      -3.218777      8.170048      5.328156
  H      -4.972050      8.360169      5.408518
  H      -3.903509      8.370251      3.064076
  H      -3.410785      6.715886      3.343864
  H      -8.575728      6.310460      3.865431
  H      -7.830447      5.047838     -0.472858
  H      -5.813623      4.933677     -1.952124
  H      -3.618840      5.772528     -1.127695
  H      -3.413942      6.726653      1.142550
  H      -5.814734      1.714956      8.088226
  H      -6.346801      2.061985      6.427557
  H      -6.431465      4.004657      8.783621
  H      -6.755107      4.455575      7.106504
  H      -8.413019      2.422548      8.744051
  H      -8.771953      4.118907      8.505293
  H      -8.495112      2.310413      3.617056
  H     -13.017127      2.692289      4.433743
  H     -14.404817      3.082652      6.476957
  H     -13.306488      3.411699      8.688292
  H     -10.842056      3.356850      8.880548
  N      -2.772749      3.857882      3.076796
  H      -1.794012      4.151269      3.131856
  H      -3.291538      4.620388      2.631365
  H      -2.793411      3.079233      2.410927
  N      -5.612660      3.960238      4.587708
  N      -6.690465      4.311689      4.430457
101
Coordinates from ORCA-job orca E -6314.461859423322
  N      -3.031254      1.480930      4.993218
  Mo     -3.841812      3.408251      5.190853
  N      -4.543816      2.964538      6.987436
  C      -3.599616      3.017142      8.093241
  C      -2.236383      2.527536      7.613335
  N      -1.868526      3.258839      6.367450
  C      -0.901907      2.505398      5.530157
  C      -1.621035      1.393193      4.718044
  C      -1.385126      4.627556      6.691759
  C      -1.985282      5.604881      5.687976
  N      -3.403187      5.315007      5.542216
  H      -1.384492      1.506573      3.637445
  H      -1.215254      0.403398      5.009510
  H      -0.437816      3.230520      4.846865
  H      -0.093151      2.096878      6.162667
  H      -1.807201      6.641288      6.021363
  H      -1.455154      5.506348      4.720470
  H      -1.743283      4.883023      7.697620
  H      -0.281802      4.657411      6.706156
  H      -3.926217      2.374730      8.931823
  H      -3.513778      4.044548      8.505605
  H      -2.301059      1.462895      7.360515
  H      -1.454389      2.669883      8.381140
  C      -4.010298      1.096104      4.023547
  C      -4.779180     -0.219214      4.285949
  C      -6.230887     -0.174416      3.767284
  C      -6.311231      0.286639      2.338349
  N      -6.529713      1.586493      2.142929
  C      -6.510018      2.042570      0.864218
  N      -6.319059      1.340717     -0.239708
  C      -6.124983     -0.002646     -0.069319
  C      -5.928444     -0.821499     -1.208076
  C      -5.708869     -2.177195     -1.060573
  C      -5.675402     -2.764255      0.224762
  C      -5.867722     -1.989714      1.352615
  C      -6.103158     -0.596725      1.233815
  C      -4.319624      6.377646      5.948465
  C      -4.208774      7.666745      5.111275
  C      -4.215221      7.443084      3.600421
  C      -5.495975      6.932826      2.991209
  N      -6.612115      6.966880      3.715911
  C      -7.723184      6.406867      3.170726
  N      -7.875421      5.917052      1.954061
  C      -6.753530      5.913497      1.171058
  C      -6.833615      5.391264     -0.140625
  C      -5.699062      5.298657     -0.929803
  C      -4.456921      5.753951     -0.445436
  C      -4.354703      6.296177      0.828415
  C      -5.496234      6.386716      1.666355
  C      -5.883571      2.505663      7.330789
  C      -6.813457      3.617011      7.838068
  C      -8.287885      3.240935      8.048198
  C      -9.087412      2.929465      6.802078
  N      -8.436578      2.619684      5.691991
  C      -9.144416      2.461600      4.543405
  N     -10.449049      2.578675      4.390999
  C     -11.162245      2.832690      5.533816
  C     -12.572621      2.928900      5.454324
  C     -13.320094      3.182272      6.588680
  C     -12.688412      3.355663      7.839890
  C     -11.311660      3.276841      7.944730
  C     -10.519522      3.007985      6.801416
  H      -3.649487      1.119595      2.972532
  H      -4.829604      1.882330      4.077857
  H      -4.786447     -0.397464      5.371668
  H      -4.233381     -1.058423      3.823251
  H      -6.681428     -1.171156      3.881148
  H      -6.811504      0.528535      4.381173
  H      -6.651052      3.121432      0.739409
  H      -5.955277     -0.346964     -2.190040
  H      -5.559362     -2.803489     -1.941861
  H      -5.498585     -3.836420      0.324194
  H      -5.841615     -2.452708      2.339808
  H      -5.341434      5.991485      5.877113
  H      -4.150337      6.646275      7.011491
  H      -3.264108      8.179213      5.358767
  H      -5.020251      8.345356      5.413009
  H      -3.918314      8.372652      3.081436
  H      -3.410829      6.724659      3.367009
  H      -8.596988      6.340031      3.829120
  H      -7.805264      5.038435     -0.489910
  H      -5.765169      4.871689     -1.931805
  H      -3.571812      5.687075     -1.080742
  H      -3.390843      6.668758      1.179652
  H      -5.809770      1.710703      8.102003
  H      -6.345011      2.059983      6.443090
  H      -6.426947      4.004929      8.795572
  H      -6.763070      4.448883      7.119925
  H      -8.399404      2.413885      8.774092
  H      -8.770411      4.106311      8.531975
  H      -8.539289      2.239043      3.654642
  H     -13.038743      2.795351      4.476985
  H     -14.407241      3.251950      6.520104
  H     -13.291853      3.558332      8.726337
  H     -10.831845      3.418432      8.913970
  N      -2.847200      3.881450      3.061969
  H      -1.872409      4.190747      3.089231
  H      -3.393634      4.637954      2.640406
  H      -2.878930      3.106539      2.392754
  N      -5.639587      3.921218      4.576232
  N      -6.718928      4.270545      4.415115
101
Coordinates from ORCA-job orca E -6314.465707340649
  N      -3.052659      1.492234      4.966594
  Mo     -3.861197      3.412288      5.207313
  N      -4.545175      2.967343      7.001343
  C      -3.590633      3.006833      8.101285
  C      -2.234335      2.515985      7.601720
  N      -1.879628      3.257305      6.357915
  C      -0.921302      2.515739      5.500584
  C      -1.643869      1.410753      4.681766
  C      -1.393386      4.624677      6.686852
  C      -1.999178      5.609692      5.693416
  N      -3.416861      5.318258      5.554387
  H      -1.416685      1.536692      3.600526
  H      -1.232244      0.418942      4.959288
  H      -0.467617      3.250482      4.820624
  H      -0.104328      2.102340      6.119286
  H      -1.820185      6.643719      6.033737
  H      -1.475307      5.518284      4.721334
  H      -1.744377      4.874337      7.696666
  H      -0.289832      4.653454      6.694435
  H      -3.913545      2.361165      8.938366
  H      -3.495870      4.031466      8.517970
  H      -2.306257      1.453993      7.339457
  H      -1.443404      2.648358      8.362294
  C      -4.029761      1.084078      3.999942
  C      -4.764766     -0.251520      4.254024
  C      -6.217755     -0.235222      3.734379
  C      -6.308296      0.228820      2.306780
  N      -6.566830      1.520754      2.115379
  C      -6.551172      1.984071      0.838178
  N      -6.326900      1.294395     -0.266462
  C      -6.093814     -0.043005     -0.100533
  C      -5.862160     -0.850074     -1.241612
  C      -5.603681     -2.198614     -1.097955
  C      -5.565030     -2.791139      0.185387
  C      -5.790697     -2.028417      1.314476
  C      -6.065859     -0.642511      1.199410
  C      -4.337109      6.377378      5.961369
  C      -4.231608      7.672794      5.133436
  C      -4.226111      7.458262      3.621145
  C      -5.502184      6.941019      3.007585
  N      -6.621714      6.981665      3.726109
  C      -7.736679      6.438378      3.171415
  N      -7.885431      5.950784      1.953497
  C      -6.756078      5.925479      1.182190
  C      -6.829677      5.392126     -0.125433
  C      -5.688567      5.276504     -0.901827
  C      -4.446095      5.723675     -0.410992
  C      -4.349972      6.278081      0.858109
  C      -5.497401      6.386762      1.685737
  C      -5.883956      2.506322      7.350003
  C      -6.813071      3.616902      7.859691
  C      -8.285142      3.235873      8.078386
  C      -9.090418      2.920402      6.836518
  N      -8.447494      2.565451      5.734993
  C      -9.157278      2.415652      4.586281
  N     -10.456004      2.579577      4.426007
  C     -11.163730      2.875203      5.561987
  C     -12.569674      3.018613      5.474984
  C     -13.312478      3.311746      6.602705
  C     -12.679737      3.478952      7.854292
  C     -11.306786      3.355955      7.965795
  C     -10.519373      3.047131      6.829265
  H      -3.671447      1.118530      2.947648
  H      -4.855622      1.852095      4.057366
  H      -4.771722     -0.436841      5.338704
  H      -4.200984     -1.076685      3.787782
  H      -6.648228     -1.241187      3.845289
  H      -6.811885      0.455968      4.348880
  H      -6.724744      3.058789      0.718501
  H      -5.894409     -0.371620     -2.221537
  H      -5.427269     -2.816070     -1.980544
  H      -5.357475     -3.858097      0.281256
  H      -5.760352     -2.494617      2.300002
  H      -5.357506      5.987526      5.883732
  H      -4.173108      6.639749      7.027006
  H      -3.295711      8.195445      5.392410
  H      -5.054726      8.338723      5.431970
  H      -3.937326      8.393850      3.108572
  H      -3.413356      6.749759      3.388004
  H      -8.615040      6.380369      3.824181
  H      -7.802355      5.048979     -0.481591
  H      -5.750342      4.839406     -1.899754
  H      -3.555905      5.641087     -1.037259
  H      -3.385953      6.646626      1.213107
  H      -5.808016      1.709802      8.119054
  H      -6.347811      2.062881      6.462337
  H      -6.421758      4.009031      8.813598
  H      -6.769741      4.447392      7.139244
  H      -8.386600      2.409387      8.806493
  H      -8.768772      4.099416      8.563344
  H      -8.559018      2.159356      3.702197
  H     -13.036049      2.887373      4.497428
  H     -14.396426      3.417006      6.528820
  H     -13.279201      3.711821      8.736042
  H     -10.827422      3.491873      8.936001
  N      -2.914608      3.904442      3.054764
  H      -1.943455      4.226034      3.056466
  H      -3.482690      4.656629      2.655028
  H      -2.958215      3.133445      2.381983
  N      -5.663822      3.893938      4.574476
  N      -6.741733      4.245273      4.408955
101
Coordinates from ORCA-job orca E -6314.469386410954
  N      -3.075285      1.500747      4.944573
  Mo     -3.878668      3.412853      5.223970
  N      -4.549451      2.971492      7.019055
  C      -3.584752      3.000224      8.112632
  C      -2.235481      2.507843      7.594864
  N      -1.892408      3.255834      6.351564
  C      -0.941277      2.521831      5.479279
  C      -1.666828      1.421754      4.656125
  C      -1.402247      4.622274      6.681946
  C      -2.010188      5.613454      5.694667
  N      -3.427686      5.322989      5.560688
  H      -1.445319      1.557042      3.574706
  H      -1.252162      0.428182      4.923927
  H      -0.495356      3.262962      4.801159
  H      -0.118307      2.105225      6.087926
  H      -1.829064      6.645526      6.040105
  H      -1.489888      5.525824      4.719778
  H      -1.748154      4.869522      7.694116
  H      -0.298402      4.647900      6.685082
  H      -3.903439      2.352018      8.949068
  H      -3.481275      4.022751      8.532199
  H      -2.314766      1.448061      7.325333
  H      -1.435799      2.631760      8.347942
  C      -4.046012      1.063105      3.979415
  C      -4.745127     -0.291201      4.227887
  C      -6.199811     -0.300069      3.709835
  C      -6.301220      0.178393      2.287782
  N      -6.598846      1.462660      2.111619
  C      -6.588646      1.944373      0.839755
  N      -6.334340      1.277444     -0.271159
  C      -6.063502     -0.054473     -0.121318
  C      -5.800169     -0.838861     -1.271744
  C      -5.504506     -2.180347     -1.143650
  C      -5.459066     -2.789586      0.132481
  C      -5.714621     -2.049452      1.269301
  C      -6.027386     -0.670489      1.169986
  C      -4.350209      6.380951      5.963920
  C      -4.249211      7.679428      5.139957
  C      -4.234956      7.469302      3.626665
  C      -5.507253      6.943376      3.011368
  N      -6.629298      6.990213      3.724180
  C      -7.747094      6.457901      3.163370
  N      -7.892166      5.966435      1.946993
  C      -6.756653      5.919882      1.186408
  C      -6.824264      5.369202     -0.114472
  C      -5.678540      5.235185     -0.880323
  C      -4.436876      5.683409     -0.387587
  C      -4.346598      6.254504      0.874207
  C      -5.498180      6.377847      1.693659
  C      -5.886885      2.509108      7.372752
  C      -6.817104      3.619359      7.880855
  C      -8.287000      3.232477      8.106753
  C      -9.098926      2.916209      6.868895
  N      -8.466393      2.523829      5.773728
  C      -9.179779      2.382326      4.626088
  N     -10.472439      2.585012      4.461137
  C     -11.171970      2.915890      5.592053
  C     -12.573137      3.099201      5.500950
  C     -13.308724      3.425648      6.623973
  C     -12.672924      3.587196      7.874892
  C     -11.304231      3.426967      7.989728
  C     -10.523846      3.085136      6.857665
  H      -3.687211      1.105332      2.926768
  H      -4.879410      1.812804      4.036194
  H      -4.751353     -0.483491      5.311408
  H      -4.165254     -1.102637      3.757472
  H      -6.611552     -1.314777      3.812161
  H      -6.805164      0.376168      4.330241
  H      -6.794685      3.015067      0.734184
  H      -5.839281     -0.348180     -2.245369
  H      -5.303889     -2.780730     -2.032842
  H      -5.222388     -3.851530      0.215234
  H      -5.679247     -2.527342      2.248994
  H      -5.369930      5.989060      5.881097
  H      -4.191902      6.641345      7.031227
  H      -3.321495      8.212235      5.407140
  H      -5.083397      8.333942      5.433401
  H      -3.955929      8.409575      3.117500
  H      -3.415019      6.769416      3.393911
  H      -8.630193      6.413106      3.810349
  H      -7.796871      5.029297     -0.474081
  H      -5.736143      4.784126     -1.872325
  H      -3.542880      5.588217     -1.006555
  H      -3.383585      6.625021      1.229822
  H      -5.809788      1.713395      8.142389
  H      -6.351083      2.064161      6.486039
  H      -6.423026      4.016484      8.831609
  H      -6.780544      4.447637      7.157277
  H      -8.377388      2.403467      8.833529
  H      -8.772053      4.092049      8.596181
  H      -8.590212      2.099084      3.744755
  H     -13.041500      2.969997      4.524052
  H     -14.389145      3.561045      6.547292
  H     -13.266600      3.845030      8.753629
  H     -10.823760      3.557349      8.960084
  N      -2.970182      3.913269      3.054155
  H      -2.002663      4.245141      3.033124
  H      -3.554675      4.660314      2.669486
  H      -3.023741      3.143146      2.381167
  N      -5.682449      3.862989      4.573833
  N      -6.759468      4.217380      4.398512
101
Coordinates from ORCA-job orca E -6314.472813666249
  N      -3.107193      1.516703      4.913549
  Mo     -3.895882      3.420552      5.239479
  N      -4.554270      2.976716      7.039313
  C      -3.576375      2.988351      8.123008
  C      -2.236833      2.494053      7.581863
  N      -1.905284      3.252347      6.341170
  C      -0.964576      2.524206      5.451964
  C      -1.698944      1.434241      4.622731
  C      -1.405494      4.614895      6.676859
  C      -2.012397      5.618375      5.699600
  N      -3.431068      5.336531      5.571931
  H      -1.482056      1.580958      3.541660
  H      -1.286698      0.436181      4.878100
  H      -0.523209      3.271098      4.777283
  H      -0.137460      2.099610      6.049433
  H      -1.823648      6.646240      6.053959
  H      -1.496306      5.535478      4.721442
  H      -1.744568      4.857843      7.692412
  H      -0.301309      4.632462      6.674440
  H      -3.889178      2.333953      8.956677
  H      -3.460825      4.006519      8.550084
  H      -2.326842      1.437854      7.301191
  H      -1.426357      2.604590      8.325708
  C      -4.070839      1.053197      3.948474
  C      -4.739228     -0.316913      4.189581
  C      -6.194895     -0.360613      3.671395
  C      -6.304747      0.114551      2.249597
  N      -6.643741      1.387974      2.071729
  C      -6.632885      1.871050      0.799183
  N      -6.345168      1.213511     -0.307948
  C      -6.035933     -0.110430     -0.156328
  C      -5.736853     -0.885995     -1.304018
  C      -5.402195     -2.218061     -1.172257
  C      -5.352891     -2.826462      0.104541
  C      -5.642612     -2.094768      1.238488
  C      -5.994410     -0.725063      1.134754
  C      -4.349428      6.395906      5.977147
  C      -4.252328      7.698186      5.157960
  C      -4.240557      7.495556      3.643008
  C      -5.513988      6.966830      3.031017
  N      -6.634045      7.018260      3.743644
  C      -7.757648      6.496715      3.181655
  N      -7.905415      6.003797      1.967146
  C      -6.768556      5.939689      1.210773
  C      -6.837301      5.372284     -0.083122
  C      -5.691294      5.221277     -0.843702
  C      -4.448013      5.672844     -0.355840
  C      -4.357227      6.260065      0.897483
  C      -5.508243      6.394825      1.715244
  C      -5.890424      2.516338      7.399416
  C      -6.819704      3.625758      7.910165
  C      -8.287955      3.232137      8.139023
  C      -9.100471      2.917729      6.900602
  N      -8.471559      2.493307      5.815172
  C      -9.180105      2.357444      4.663777
  N     -10.465625      2.591651      4.486869
  C     -11.164130      2.953801      5.608542
  C     -12.559903      3.170213      5.504849
  C     -13.295475      3.525870      6.618535
  C     -12.665013      3.684216      7.872893
  C     -11.301624      3.493112      7.999519
  C     -10.520779      3.122533      6.876630
  H      -3.710873      1.104587      2.896098
  H      -4.910834      1.788497      4.007117
  H      -4.745693     -0.512856      5.272428
  H      -4.144059     -1.115540      3.716815
  H      -6.584089     -1.384144      3.774091
  H      -6.815287      0.303949      4.289862
  H      -6.872332      2.934930      0.691984
  H      -5.780822     -0.396369     -2.278018
  H      -5.174185     -2.812366     -2.058997
  H      -5.086414     -3.881214      0.189209
  H      -5.605324     -2.571032      2.218877
  H      -5.370521      6.006538      5.893140
  H      -4.191543      6.653090      7.045659
  H      -3.328805      8.236699      5.427590
  H      -5.093172      8.343921      5.452522
  H      -3.972060      8.440979      3.138147
  H      -3.418334      6.801433      3.402772
  H      -8.642332      6.464574      3.826586
  H      -7.811235      5.034074     -0.440818
  H      -5.749467      4.755951     -1.829094
  H      -3.553572      5.566359     -0.972249
  H      -3.393629      6.632427      1.249400
  H      -5.813231      1.718971      8.167383
  H      -6.357142      2.073387      6.513140
  H      -6.423928      4.023724      8.859898
  H      -6.788325      4.454219      7.186436
  H      -8.369392      2.396915      8.859781
  H      -8.776001      4.085653      8.634890
  H      -8.593123      2.048170      3.789120
  H     -13.023900      3.041292      4.525789
  H     -14.371770      3.686363      6.532387
  H     -13.258811      3.963819      8.744893
  H     -10.826460      3.619919      8.972938
  N      -3.017167      3.929083      3.061019
  H      -2.051640      4.265253      3.021270
  H      -3.610401      4.675280      2.689496
  H      -3.082371      3.161126      2.386386
  N      -5.698624      3.851320      4.584803
  N      -6.772316      4.212466      4.399548
101
Coordinates from ORCA-job orca E -6314.476071436430
  N      -3.137745      1.525470      4.891380
  Mo     -3.912825      3.420187      5.253627
  N      -4.563863      2.980338      7.062042
  C      -3.574924      2.981781      8.136006
  C      -2.243257      2.486035      7.577153
  N      -1.921578      3.249467      6.336527
  C      -0.987764      2.522147      5.438549
  C      -1.727750      1.437632      4.607164
  C      -1.415103      4.610075      6.672583
  C      -2.019373      5.620534      5.698710
  N      -3.438609      5.346757      5.573715
  H      -1.509447      1.589335      3.526881
  H      -1.319888      0.436595      4.857763
  H      -0.547890      3.270730      4.764947
  H      -0.159052      2.093300      6.030715
  H      -1.824446      6.645598      6.058528
  H      -1.503284      5.539081      4.719884
  H      -1.751387      4.852898      7.689110
  H      -0.310726      4.620851      6.668333
  H      -3.881300      2.323277      8.968836
  H      -3.449843      3.997004      8.567724
  H      -2.341127      1.432036      7.290185
  H      -1.423855      2.588123      8.312571
  C      -4.087498      1.029088      3.924871
  C      -4.720977     -0.355948      4.163815
  C      -6.177439     -0.426685      3.649146
  C      -6.296937      0.068184      2.235264
  N      -6.673927      1.334404      2.078093
  C      -6.668178      1.839146      0.813528
  N      -6.352607      1.210555     -0.301928
  C      -6.006313     -0.107329     -0.171974
  C      -5.678361     -0.853667     -1.330658
  C      -5.308234     -2.178667     -1.219494
  C      -5.251749     -2.808056      0.046542
  C      -5.568855     -2.104623      1.191243
  C      -5.956248     -0.742745      1.108272
  C      -4.354429      6.407797      5.973571
  C      -4.259444      7.708677      5.151011
  C      -4.247331      7.503070      3.635931
  C      -5.520141      6.968075      3.026344
  N      -6.640109      7.026170      3.735256
  C      -7.766640      6.508277      3.173269
  N      -7.912641      6.005715      1.963801
  C      -6.773320      5.925594      1.213608
  C      -6.840308      5.338158     -0.071902
  C      -5.693738      5.175517     -0.826635
  C      -4.450758      5.636593     -0.343783
  C      -4.362196      6.241566      0.899745
  C      -5.513848      6.385045      1.714551
  C      -5.898301      2.522739      7.426614
  C      -6.826700      3.634019      7.935022
  C      -8.292740      3.235273      8.171377
  C      -9.109611      2.923299      6.935401
  N      -8.488355      2.470419      5.857514
  C      -9.197179      2.336972      4.705857
  N     -10.476659      2.596731      4.522758
  C     -11.169146      2.988416      5.637634
  C     -12.559990      3.232975      5.527591
  C     -13.290392      3.616523      6.634635
  C     -12.659732      3.775472      7.889225
  C     -11.301388      3.558124      8.021491
  C     -10.525035      3.159860      6.904741
  H      -3.722533      1.085603      2.874129
  H      -4.937987      1.747142      3.978491
  H      -4.724350     -0.556570      5.245987
  H      -4.112474     -1.141512      3.686489
  H      -6.546219     -1.458722      3.740662
  H      -6.809357      0.218710      4.275983
  H      -6.939135      2.896930      0.723386
  H      -5.729639     -0.348448     -2.296260
  H      -5.058009     -2.751169     -2.114502
  H      -4.958039     -3.856781      0.114002
  H      -5.526979     -2.596493      2.163600
  H      -5.376589      6.019957      5.888862
  H      -4.199734      6.669022      7.041899
  H      -3.340017      8.253587      5.420761
  H      -5.106345      8.348882      5.440738
  H      -3.988419      8.450363      3.130035
  H      -3.422754      6.812967      3.393602
  H      -8.654762      6.493260      3.813920
  H      -7.813843      4.996405     -0.426998
  H      -5.749813      4.694184     -1.804363
  H      -3.555465      5.521912     -0.957272
  H      -3.399787      6.620105      1.247902
  H      -5.822368      1.727785      8.197314
  H      -6.366144      2.076648      6.542550
  H      -6.428418      4.036035      8.881904
  H      -6.800863      4.460066      7.207982
  H      -8.363855      2.394077      8.886162
  H      -8.781665      4.082887      8.675221
  H      -8.616206      2.005503      3.835656
  H     -13.023988      3.101849      4.548884
  H     -14.362821      3.798489      6.543839
  H     -13.249829      4.076080      8.756644
  H     -10.827106      3.684434      8.995289
  N      -3.050410      3.923151      3.072088
  H      -2.086591      4.262480      3.018375
  H      -3.648553      4.666660      2.703808
  H      -3.122598      3.152710      2.400902
  N      -5.711270      3.828199      4.591380
  N      -6.781744      4.193150      4.388422
101
Coordinates from ORCA-job orca E -6314.479079875255
  N      -3.167003      1.534247      4.871620
  Mo     -3.926983      3.420346      5.268009
  N      -4.571337      2.982135      7.086067
  C      -3.572905      2.974476      8.150181
  C      -2.247986      2.478700      7.575964
  N      -1.935243      3.246782      6.335437
  C      -1.007839      2.517150      5.432227
  C      -1.753935      1.437415      4.600372
  C      -1.423049      4.605565      6.671528
  C      -2.024473      5.621693      5.700181
  N      -3.444550      5.357309      5.575897
  H      -1.529474      1.590009      3.521200
  H      -1.353827      0.433104      4.850107
  H      -0.566412      3.265129      4.759032
  H      -0.179425      2.083836      6.021605
  H      -1.822988      6.643936      6.065419
  H      -1.507166      5.541863      4.721363
  H      -1.758043      4.848663      7.688440
  H      -0.318507      4.610425      6.666798
  H      -3.872371      2.310471      8.981478
  H      -3.439794      3.986052      8.588597
  H      -2.352377      1.426657      7.283438
  H      -1.420553      2.573141      8.303586
  C      -4.100148      1.007376      3.902204
  C      -4.699837     -0.391839      4.140564
  C      -6.156279     -0.488133      3.626165
  C      -6.288659      0.022222      2.218869
  N      -6.703568      1.279040      2.079524
  C      -6.706043      1.802746      0.822924
  N      -6.364802      1.202644     -0.300539
  C      -5.981574     -0.106993     -0.189764
  C      -5.626876     -0.825006     -1.357962
  C      -5.221469     -2.141158     -1.265374
  C      -5.155299     -2.788967     -0.009424
  C      -5.497311     -2.112846      1.144569
  C      -5.920503     -0.760829      1.080715
  C      -4.356484      6.420778      5.970287
  C      -4.262353      7.718129      5.141119
  C      -4.254144      7.506249      3.626828
  C      -5.528779      6.968908      3.022533
  N      -6.646842      7.035102      3.731256
  C      -7.777509      6.520129      3.173107
  N      -7.925456      6.008215      1.968639
  C      -6.786409      5.914628      1.220085
  C      -6.856158      5.310709     -0.058363
  C      -5.711738      5.138737     -0.812211
  C      -4.467292      5.607201     -0.337383
  C      -4.376227      6.225935      0.897964
  C      -5.526071      6.376960      1.714099
  C      -5.904183      2.527477      7.454214
  C      -6.832522      3.641015      7.958224
  C      -8.297513      3.239069      8.199712
  C      -9.118170      2.931426      6.965085
  N      -8.503913      2.451618      5.895115
  C      -9.212514      2.316848      4.743301
  N     -10.486214      2.598493      4.553643
  C     -11.172929      3.020472      5.660723
  C     -12.558707      3.290452      5.543472
  C     -13.284146      3.702717      6.642881
  C     -12.653613      3.865837      7.897370
  C     -11.300405      3.624573      8.036178
  C     -10.528368      3.197512      6.926774
  H      -3.727179      1.068308      2.854060
  H      -4.962104      1.706723      3.947781
  H      -4.701595     -0.596036      5.222214
  H      -4.076673     -1.164683      3.661472
  H      -6.504760     -1.527857      3.708670
  H      -6.799331      0.139182      4.259672
  H      -7.007558      2.853131      0.748747
  H      -5.686882     -0.306382     -2.315924
  H      -4.950756     -2.692404     -2.167702
  H      -4.834137     -3.830493      0.042700
  H      -5.448696     -2.618669      2.109374
  H      -5.379899      6.034671      5.887971
  H      -4.203092      6.689297      7.037374
  H      -3.343775      8.266220      5.406776
  H      -5.111098      8.357669      5.427282
  H      -4.002270      8.453722      3.117750
  H      -3.430107      6.817073      3.381262
  H      -8.666705      6.521856      3.812246
  H      -7.830720      4.966199     -0.407802
  H      -5.768960      4.644167     -1.783216
  H      -3.573482      5.485574     -0.951659
  H      -3.413398      6.608493      1.240382
  H      -5.829621      1.736194      8.229264
  H      -6.373248      2.076693      6.573160
  H      -6.433362      4.047204      8.902950
  H      -6.809296      4.464148      7.227600
  H      -8.361129      2.391245      8.907365
  H      -8.786154      4.081131      8.712234
  H      -8.636815      1.961688      3.879029
  H     -13.022569      3.154635      4.565338
  H     -14.352621      3.904220      6.546796
  H     -13.240247      4.188360      8.759235
  H     -10.826982      3.753464      9.010007
  N      -3.073302      3.916355      3.087376
  H      -2.110309      4.256771      3.024380
  H      -3.673381      4.658351      2.719075
  H      -3.150423      3.142886      2.420206
  N      -5.720840      3.810220      4.601743
  N      -6.788420      4.177647      4.380894
101
Coordinates from ORCA-job orca E -6314.481817192835
  N      -3.196357      1.542644      4.852349
  Mo     -3.941136      3.420661      5.281879
  N      -4.577592      2.982545      7.108450
  C      -3.571618      2.965968      8.163680
  C      -2.252578      2.470922      7.576060
  N      -1.948146      3.243272      6.335657
  C      -1.027372      2.509697      5.428796
  C      -1.779958      1.434111      4.598006
  C      -1.431585      4.600633      6.671178
  C      -2.030810      5.621096      5.701908
  N      -3.451823      5.365432      5.577374
  H      -1.546204      1.583533      3.520022
  H      -1.390135      0.426427      4.850240
  H      -0.582999      3.255676      4.755289
  H      -0.200050      2.071699      6.016293
  H      -1.823388      6.640740      6.072130
  H      -1.512316      5.543551      4.723092
  H      -1.766040      4.843980      7.688264
  H      -0.326954      4.601285      6.666507
  H      -3.864684      2.295692      8.992640
  H      -3.431634      3.973205      8.610503
  H      -2.362605      1.420599      7.278742
  H      -1.417971      2.558278      8.296466
  C      -4.111854      0.988104      3.879843
  C      -4.677379     -0.425086      4.119244
  C      -6.132721     -0.546172      3.604299
  C      -6.278783     -0.020437      2.203936
  N      -6.731794      1.225172      2.081698
  C      -6.744671      1.767975      0.833781
  N      -6.379486      1.197311     -0.297809
  C      -5.958679     -0.102071     -0.205734
  C      -5.578063     -0.790870     -1.383186
  C      -5.136230     -2.096343     -1.309189
  C      -5.058151     -2.762205     -0.063504
  C      -5.424178     -2.114448      1.099304
  C      -5.884277     -0.774160      1.054757
  C      -4.359636      6.431898      5.966988
  C      -4.265343      7.724616      5.129788
  C      -4.261960      7.503833      3.616936
  C      -5.539435      6.966222      3.018492
  N      -6.655846      7.043209      3.727452
  C      -7.790822      6.531645      3.173882
  N      -7.941896      6.009138      1.974939
  C      -6.803858      5.901536      1.227419
  C      -6.877850      5.282288     -0.044021
  C      -5.736294      5.100664     -0.798373
  C      -4.489606      5.574051     -0.332001
  C      -4.394179      6.205266      0.895856
  C      -5.541676      6.365222      1.713979
  C      -5.909157      2.530414      7.479634
  C      -6.836807      3.646981      7.979084
  C      -8.300743      3.243744      8.226559
  C      -9.124872      2.941459      6.993243
  N      -8.517097      2.434923      5.931929
  C      -9.225441      2.296682      4.780315
  N     -10.493283      2.598430      4.583487
  C     -11.174151      3.051497      5.681697
  C     -12.554354      3.345739      5.556143
  C     -13.274807      3.788098      6.646835
  C     -12.644627      3.957908      7.900804
  C     -11.296772      3.693600      8.047224
  C     -10.529248      3.236164      6.946520
  H      -3.729581      1.052867      2.834805
  H      -4.986468      1.667195      3.915128
  H      -4.676626     -0.631989      5.200356
  H      -4.039242     -1.185046      3.639495
  H      -6.460534     -1.593508      3.676097
  H      -6.787039      0.061691      4.245134
  H      -7.078083      2.809507      0.775602
  H      -5.648199     -0.259428     -2.333390
  H      -4.845762     -2.625200     -2.218746
  H      -4.708615     -3.795215     -0.026404
  H      -5.366999     -2.633960      2.056366
  H      -5.384281      6.047393      5.889052
  H      -4.206047      6.708946      7.032197
  H      -3.345593      8.273419      5.389746
  H      -5.112965      8.367097      5.412862
  H      -4.014141      8.449738      3.102756
  H      -3.439499      6.813783      3.369702
  H      -8.680289      6.549961      3.812131
  H      -7.854135      4.936160     -0.386934
  H      -5.795798      4.593968     -1.762922
  H      -3.598026      5.444755     -0.947932
  H      -3.429992      6.589776      1.232133
  H      -5.835592      1.743536      8.259580
  H      -6.380068      2.074067      6.602068
  H      -6.436161      4.057938      8.921140
  H      -6.815221      4.466415      7.244191
  H      -8.358204      2.389306      8.926772
  H      -8.787547      4.080689      8.748378
  H      -8.654958      1.917397      3.923051
  H     -13.017930      3.203534      4.578780
  H     -14.339011      4.008356      6.544661
  H     -13.227687      4.303633      8.756069
  H     -10.824252      3.827304      9.020773
  N      -3.094326      3.910978      3.101966
  H      -2.131900      4.251842      3.032330
  H      -3.695705      4.651639      2.733135
  H      -3.175186      3.134362      2.438963
  N      -5.731379      3.794741      4.611335
  N      -6.796142      4.162239      4.373549
101
Coordinates from ORCA-job orca E -6314.484323830640
  N      -3.222621      1.549722      4.834871
  Mo     -3.953006      3.420200      5.295946
  N      -4.581449      2.981019      7.128453
  C      -3.570390      2.955620      8.177107
  C      -2.256000      2.461925      7.578601
  N      -1.958463      3.237806      6.338290
  C      -1.044144      2.499686      5.428908
  C      -1.803053      1.427393      4.600370
  C      -1.438876      4.594222      6.672606
  C      -2.035897      5.617771      5.704603
  N      -3.457840      5.369305      5.578900
  H      -1.557502      1.569827      3.523666
  H      -1.425530      0.416478      4.858411
  H      -0.596294      3.242811      4.754479
  H      -0.218292      2.057075      6.015055
  H      -1.823745      6.635259      6.078923
  H      -1.516281      5.542628      4.725874
  H      -1.773592      4.837980      7.689586
  H      -0.334196      4.592292      6.668628
  H      -3.858588      2.278883      9.002866
  H      -3.425048      3.958181      8.633251
  H      -2.370692      1.413003      7.277457
  H      -1.415468      2.543075      8.292890
  C      -4.120176      0.971319      3.858948
  C      -4.651956     -0.455346      4.099821
  C      -6.105020     -0.603948      3.583905
  C      -6.266693     -0.064156      2.190697
  N      -6.759018      1.167960      2.085007
  C      -6.785205      1.729427      0.846228
  N      -6.397113      1.189116     -0.293080
  C      -5.936848     -0.097639     -0.219200
  C      -5.530612     -0.756050     -1.405602
  C      -5.049850     -2.048456     -1.350133
  C      -4.956689     -2.731604     -0.114784
  C      -5.346422     -2.113514      1.056372
  C      -5.846134     -0.787274      1.031045
  C      -4.361398      6.439797      5.963849
  C      -4.266935      7.727304      5.117828
  C      -4.270819      7.497908      3.606463
  C      -5.552856      6.962527      3.015950
  N      -6.666114      7.051702      3.728114
  C      -7.806778      6.545260      3.181390
  N      -7.964786      6.012772      1.987962
  C      -6.829910      5.890930      1.238422
  C      -6.911805      5.258223     -0.026250
  C      -5.774933      5.066300     -0.784217
  C      -4.524592      5.542213     -0.328799
  C      -4.421011      6.184303      0.892249
  C      -5.563937      6.353804      1.715241
  C      -5.912559      2.531174      7.502151
  C      -6.840255      3.651229      7.994727
  C      -8.303710      3.248051      8.247377
  C      -9.132027      2.951473      7.015646
  N      -8.532400      2.417145      5.963092
  C      -9.241759      2.275188      4.812524
  N     -10.503270      2.597807      4.608933
  C     -11.176193      3.083603      5.697854
  C     -12.549835      3.403723      5.564210
  C     -13.263252      3.878701      6.645724
  C     -12.632076      4.056081      7.898164
  C     -11.290251      3.766864      8.052036
  C     -10.529488      3.276268      6.960737
  H      -3.727585      1.039411      2.817495
  H      -5.008059      1.629570      3.882056
  H      -4.647949     -0.663613      5.180564
  H      -3.997994     -1.201508      3.620106
  H      -6.410084     -1.659078      3.643857
  H      -6.771515     -0.017696      4.232288
  H      -7.150939      2.760644      0.803882
  H      -5.612988     -0.212473     -2.347922
  H      -4.739930     -2.553616     -2.266731
  H      -4.576687     -3.754237     -0.092334
  H      -5.278024     -2.646072      2.005545
  H      -5.387226      6.056687      5.892118
  H      -4.205699      6.725843      7.026583
  H      -3.344330      8.274757      5.370565
  H      -5.111019      8.374877      5.399839
  H      -4.025239      8.441523      3.086722
  H      -3.450965      6.805900      3.357043
  H      -8.694578      6.579341      3.821150
  H      -7.891029      4.911946     -0.360511
  H      -5.839646      4.548903     -1.742686
  H      -3.636921      5.404884     -0.948632
  H      -3.454049      6.568890      1.220288
  H      -5.839891      1.749767      8.287852
  H      -6.384676      2.068199      6.628547
  H      -6.438735      4.068297      8.933749
  H      -6.819004      4.465803      7.254383
  H      -8.356412      2.387461      8.940407
  H      -8.787497      4.080556      8.778347
  H      -8.677975      1.871186      3.962302
  H     -13.014199      3.254665      4.588244
  H     -14.322505      4.119089      6.537611
  H     -13.209807      4.427224      8.746366
  H     -10.817530      3.906376      9.024618
  N      -3.111859      3.907245      3.115680
  H      -2.149805      4.248236      3.041948
  H      -3.714265      4.646627      2.746246
  H      -3.195395      3.127614      2.456699
  N      -5.741553      3.781283      4.620017
  N      -6.803946      4.146659      4.367108
101
Coordinates from ORCA-job orca E -6314.486630626396
  N      -3.247620      1.555243      4.818197
  Mo     -3.964988      3.418026      5.310520
  N      -4.584324      2.976913      7.146909
  C      -3.569197      2.942714      8.190356
  C      -2.258855      2.451045      7.581873
  N      -1.968133      3.230134      6.341517
  C      -1.060466      2.488137      5.429182
  C      -1.825480      1.418012      4.604458
  C      -1.446710      4.586058      6.674110
  C      -2.042342      5.611852      5.707310
  N      -3.465223      5.368413      5.580922
  H      -1.567230      1.550302      3.529000
  H      -1.461180      0.404368      4.870966
  H      -0.610399      3.228427      4.753059
  H      -0.235250      2.041519      6.013242
  H      -1.826863      6.627632      6.084952
  H      -1.522332      5.539422      4.728402
  H      -1.781581      4.830005      7.691078
  H      -0.341978      4.583044      6.670476
  H      -3.853368      2.259593      9.012461
  H      -3.419511      3.940510      8.655982
  H      -2.377348      1.403255      7.277623
  H      -1.412896      2.527030      8.290332
  C      -4.127338      0.956091      3.838970
  C      -4.623989     -0.483846      4.080864
  C      -6.073389     -0.663337      3.563913
  C      -6.251733     -0.108524      2.178708
  N      -6.785402      1.107700      2.090938
  C      -6.827846      1.688799      0.862224
  N      -6.417737      1.181432     -0.284870
  C      -5.915059     -0.089957     -0.230467
  C      -5.483158     -0.714580     -1.426315
  C      -4.960138     -1.991013     -1.391085
  C      -4.848380     -2.692038     -0.167164
  C      -5.261906     -2.107028      1.012754
  C      -5.804736     -0.797735      1.008302
  C      -4.364554      6.443321      5.962414
  C      -4.270197      7.725106      5.107316
  C      -4.283352      7.486907      3.597470
  C      -5.571103      6.954767      3.016372
  N      -6.680520      7.057680      3.733006
  C      -7.827619      6.557409      3.194511
  N      -7.994624      6.013878      2.007414
  C      -6.864093      5.876832      1.254458
  C      -6.955954      5.231215     -0.003126
  C      -5.824913      5.028645     -0.766476
  C      -4.570101      5.505392     -0.323420
  C      -4.456191      6.157657      0.890995
  C      -5.593240      6.337981      1.720031
  C      -5.915923      2.530962      7.523488
  C      -6.841501      3.656742      8.007566
  C      -8.304661      3.256279      8.266738
  C      -9.136419      2.963690      7.036814
  N      -8.545226      2.396998      5.996023
  C      -9.255030      2.248481      4.846628
  N     -10.509183      2.592811      4.633560
  C     -11.173384      3.116588      5.709968
  C     -12.538939      3.464800      5.565030
  C     -13.244472      3.978523      6.633937
  C     -12.612925      4.167423      7.884429
  C     -11.278555      3.850923      8.048910
  C     -10.525446      3.320862      6.970647
  H      -3.724376      1.027668      2.801268
  H      -5.029682      1.592532      3.848922
  H      -4.615418     -0.693009      5.161297
  H      -3.952993     -1.214264      3.600817
  H      -6.353036     -1.726365      3.609729
  H      -6.753142     -0.102176      4.220561
  H      -7.228209      2.707518      0.836408
  H      -5.580376     -0.158342     -2.359794
  H      -4.630818     -2.469674     -2.315121
  H      -4.435212     -3.701947     -0.160466
  H      -5.179260     -2.653125      1.953128
  H      -5.391644      6.061676      5.898422
  H      -4.204565      6.737842      7.022276
  H      -3.343561      8.269714      5.351644
  H      -5.109136      8.379016      5.389914
  H      -4.038788      8.427450      3.071462
  H      -3.466590      6.792158      3.346106
  H      -8.712760      6.607628      3.836823
  H      -7.938692      4.885467     -0.327455
  H      -5.896659      4.501215     -1.718906
  H      -3.687239      5.359560     -0.948167
  H      -3.485619      6.541161      1.209440
  H      -5.844825      1.756100      8.315752
  H      -6.389949      2.060978      6.654434
  H      -6.437843      4.081555      8.942192
  H      -6.819804      4.464637      7.259885
  H      -8.354115      2.391195      8.954379
  H      -8.784031      4.086114      8.805055
  H      -8.698607      1.816086      4.005782
  H     -13.003659      3.305953      4.590791
  H     -14.297594      4.240857      6.517322
  H     -13.184536      4.568978      8.722866
  H     -10.806204      3.999610      9.020236
  N      -3.130653      3.904569      3.127383
  H      -2.168998      4.245835      3.050831
  H      -3.734423      4.642455      2.757662
  H      -3.216257      3.121912      2.472445
  N      -5.753481      3.767452      4.629135
  N      -6.814205      4.128039      4.362884
101
Coordinates from ORCA-job orca E -6314.488728503020
  N      -3.268335      1.558418      4.803993
  Mo     -3.974764      3.413395      5.325689
  N      -4.585249      2.970255      7.164162
  C      -3.566970      2.928387      8.203882
  C      -2.259788      2.439490      7.586945
  N      -1.975585      3.220769      6.346164
  C      -1.074063      2.475940      5.430735
  C      -1.844134      1.406042      4.611563
  C      -1.453487      4.576747      6.676450
  C      -2.048341      5.603721      5.710343
  N      -3.472114      5.363024      5.583547
  H      -1.572793      1.525139      3.537405
  H      -1.493175      0.390677      4.889635
  H      -0.623857      3.213770      4.752003
  H      -0.248185      2.026884      6.012088
  H      -1.831185      6.618411      6.090232
  H      -1.528267      5.533647      4.731233
  H      -1.788554      4.821073      7.693334
  H      -0.348675      4.573804      6.673035
  H      -3.848026      2.239335      9.022171
  H      -3.414530      3.921920      8.678070
  H      -2.380689      1.392371      7.280754
  H      -1.409201      2.512220      8.290197
  C      -4.130836      0.941647      3.821227
  C      -4.592057     -0.510994      4.063065
  C      -6.036449     -0.725471      3.545079
  C      -6.234056     -0.155696      2.168546
  N      -6.810172      1.042188      2.100321
  C      -6.871744      1.643258      0.882426
  N      -6.441335      1.171153     -0.272464
  C      -5.894466     -0.082327     -0.238934
  C      -5.438018     -0.670025     -1.444590
  C      -4.870513     -1.927588     -1.431060
  C      -4.736740     -2.646393     -0.219550
  C      -5.173033     -2.097464      0.969463
  C      -5.761438     -0.808138      0.987249
  C      -4.367499      6.442548      5.962043
  C      -4.274337      7.718648      5.098235
  C      -4.299636      7.473128      3.589842
  C      -5.594325      6.944942      3.020890
  N      -6.697817      7.061093      3.745034
  C      -7.852566      6.567756      3.217333
  N      -8.031805      6.013822      2.036807
  C      -6.907729      5.862268      1.277223
  C      -7.012567      5.205091      0.026621
  C      -5.889189      4.992658     -0.745129
  C      -4.629065      5.469739     -0.317297
  C      -4.501973      6.130961      0.890722
  C      -5.630857      6.321295      1.728710
  C      -5.917842      2.528950      7.544416
  C      -6.841836      3.661404      8.016166
  C      -8.305472      3.264808      8.280813
  C      -9.140589      2.974663      7.052783
  N      -8.560186      2.371383      6.026011
  C      -9.270900      2.215523      4.878241
  N     -10.516211      2.584136      4.654061
  C     -11.168982      3.150743      5.715363
  C     -12.524334      3.531257      5.557071
  C     -13.218989      4.089929      6.610414
  C     -12.586139      4.292530      7.858028
  C     -11.261326      3.944422      8.035173
  C     -10.518971      3.368210      6.973064
  H      -3.717567      1.016836      2.787352
  H      -5.047454      1.555744      3.817337
  H      -4.578394     -0.720455      5.143323
  H      -3.902997     -1.223782      3.582385
  H      -6.287254     -1.796317      3.575583
  H      -6.730274     -0.192571      4.210275
  H      -7.306977      2.647718      0.874067
  H      -5.552685     -0.100876     -2.368280
  H      -4.522646     -2.377432     -2.362755
  H      -4.288496     -3.641190     -0.229578
  H      -5.072971     -2.657189      1.900180
  H      -5.395715      6.062163      5.906754
  H      -4.201483      6.744780      7.018791
  H      -3.342953      8.259602      5.332776
  H      -5.107220      8.378933      5.383779
  H      -4.056300      8.410732      3.057888
  H      -3.486532      6.775497      3.335025
  H      -8.733290      6.633810      3.864254
  H      -7.999388      4.859919     -0.285691
  H      -5.970551      4.456314     -1.691744
  H      -3.752487      5.316210     -0.949020
  H      -3.527056      6.513098      1.197297
  H      -5.848413      1.762514      8.344842
  H      -6.392967      2.050193      6.680785
  H      -6.436916      4.096302      8.945586
  H      -6.818894      4.460582      7.259186
  H      -8.353082      2.396641      8.964636
  H      -8.780027      4.093433      8.824434
  H      -8.723647      1.752207      4.048098
  H     -12.990125      3.361167      4.585256
  H     -14.264289      4.377590      6.483572
  H     -13.149120      4.729695      8.684411
  H     -10.788692      4.104362      9.004518
  N      -3.147702      3.901582      3.137157
  H      -2.186555      4.243578      3.058939
  H      -3.753165      4.637406      2.766718
  H      -3.234324      3.115671      2.486463
  N      -5.764311      3.752167      4.639151
  N      -6.824281      4.105391      4.360956
101
Coordinates from ORCA-job orca E -6314.490601986449
  N      -3.287833      1.560499      4.790017
  Mo     -3.984594      3.407112      5.340868
  N      -4.584983      2.961333      7.180939
  C      -3.562775      2.912240      8.216611
  C      -2.258782      2.426943      7.590632
  N      -1.982396      3.210508      6.349343
  C      -1.087422      2.464639      5.429090
  C      -1.862180      1.393060      4.617881
  C      -1.459925      4.566645      6.677457
  C      -2.055645      5.594857      5.713235
  N      -3.480335      5.355227      5.587778
  H      -1.578809      1.496448      3.544949
  H      -1.524163      0.377170      4.910116
  H      -0.640604      3.201051      4.746598
  H      -0.258457      2.014980      6.005715
  H      -1.837719      6.608586      6.095310
  H      -1.536741      5.527635      4.733322
  H      -1.793970      4.810727      7.694787
  H      -0.355030      4.564266      6.672903
  H      -3.840446      2.217237      9.030989
  H      -3.408146      3.901798      8.698622
  H      -2.381141      1.380302      7.282816
  H      -1.403466      2.497725      8.288330
  C      -4.134390      0.928643      3.803903
  C      -4.559288     -0.535876      4.044832
  C      -5.997793     -0.786478      3.526197
  C      -6.215473     -0.202743      2.158188
  N      -6.834079      0.974729      2.108559
  C      -6.916771      1.593266      0.900713
  N      -6.468338      1.155805     -0.260972
  C      -5.876642     -0.077476     -0.246982
  C      -5.397638     -0.628248     -1.461397
  C      -4.785276     -1.864585     -1.468068
  C      -4.627389     -2.598281     -0.268415
  C      -5.084640     -2.085254      0.928716
  C      -5.718965     -0.818353      0.967147
  C      -4.372004      6.438352      5.966160
  C      -4.281557      7.709936      5.095765
  C      -4.321416      7.458742      3.588735
  C      -5.623532      6.933895      3.033661
  N      -6.720093      7.062034      3.766502
  C      -7.882791      6.575544      3.250702
  N      -8.075204      6.011105      2.077360
  C      -6.958529      5.846101      1.309808
  C      -7.077357      5.178369      0.066078
  C      -5.962676      4.958347     -0.715880
  C      -4.697202      5.436228     -0.304664
  C      -4.556008      6.105135      0.897257
  C      -5.675640      6.304032      1.745537
  C      -5.918862      2.526860      7.565736
  C      -6.839527      3.667672      8.023489
  C      -8.303502      3.275813      8.294545
  C      -9.139415      2.985243      7.067638
  N      -8.569434      2.339285      6.060610
  C      -9.278279      2.172461      4.913445
  N     -10.512623      2.566609      4.672243
  C     -11.154025      3.182632      5.712355
  C     -12.496578      3.597960      5.533797
  C     -13.180106      4.208988      6.564946
  C     -12.548492      4.430304      7.809986
  C     -11.236038      4.047956      8.006580
  C     -10.504602      3.418001      6.967417
  H      -3.711779      1.008141      2.773615
  H      -5.064987      1.520020      3.786979
  H      -4.539990     -0.745358      5.124979
  H      -3.852235     -1.230066      3.563254
  H      -6.218112     -1.864332      3.541391
  H      -6.705429     -0.283136      4.199635
  H      -7.388067      2.581278      0.908187
  H      -5.531661     -0.048127     -2.375623
  H      -4.420311     -2.285878     -2.406523
  H      -4.143685     -3.576014     -0.293931
  H      -4.964980     -2.656579      1.850088
  H      -5.401267      6.059146      5.919998
  H      -4.198340      6.745918      7.020087
  H      -3.345209      8.246918      5.319693
  H      -5.108099      8.375804      5.386591
  H      -4.080396      8.393858      3.051339
  H      -3.512073      6.758671      3.328999
  H      -8.758332      6.657420      3.902839
  H      -8.068070      4.832930     -0.233281
  H      -6.054704      4.414210     -1.656992
  H      -3.827610      5.276571     -0.944443
  H      -3.576820      6.486447      1.190953
  H      -5.851853      1.770078      8.375216
  H      -6.395471      2.038698      6.707971
  H      -6.432574      4.114424      8.946319
  H      -6.815743      4.456301      7.255549
  H      -8.349882      2.406177      8.976461
  H      -8.773568      4.104584      8.840898
  H      -8.740093      1.673303      4.098558
  H     -12.961460      3.412766      4.564340
  H     -14.215450      4.523974      6.422427
  H     -13.102574      4.909064      8.619135
  H     -10.765317      4.223214      8.974085
  N      -3.167346      3.899404      3.143913
  H      -2.206995      4.242833      3.063807
  H      -3.775203      4.632637      2.772844
  H      -3.254389      3.110165      2.497509
  N      -5.775554      3.735486      4.651568
  N      -6.835805      4.078837      4.362775
101
Coordinates from ORCA-job orca E -6314.492269139047
  N      -3.303249      1.563314      4.776791
  Mo     -3.991423      3.401474      5.355186
  N      -4.582060      2.951987      7.196403
  C      -3.555790      2.896410      8.228072
  C      -2.254523      2.415700      7.593491
  N      -1.986291      3.201586      6.351902
  C      -1.097800      2.456239      5.425722
  C      -1.876515      1.381013      4.624602
  C      -1.463338      4.557756      6.678592
  C      -2.060912      5.587618      5.717412
  N      -3.486461      5.348231      5.594199
  H      -1.581804      1.466197      3.553061
  H      -1.551226      0.365950      4.934011
  H      -0.657624      3.192183      4.738427
  H      -0.263537      2.008020      5.996014
  H      -1.842726      6.600316      6.102019
  H      -1.543937      5.523658      4.736314
  H      -1.795520      4.800980      7.696779
  H      -0.358367      4.555856      6.672077
  H      -3.830108      2.195107      9.038118
  H      -3.400030      3.882290      8.717364
  H      -2.377121      1.369356      7.284282
  H      -1.395010      2.485810      8.286063
  C      -4.135668      0.919400      3.787023
  C      -4.526070     -0.555550      4.026631
  C      -5.958286     -0.842655      3.508031
  C      -6.197475     -0.251149      2.146502
  N      -6.855196      0.905330      2.110476
  C      -6.959366      1.534513      0.909684
  N      -6.496633      1.125626     -0.256729
  C      -5.863421     -0.087084     -0.256853
  C      -5.365987     -0.607227     -1.477349
  C      -4.712433     -1.822179     -1.498286
  C      -4.530273     -2.563871     -0.307084
  C      -5.004510     -2.080280      0.895655
  C      -5.681031     -0.835945      0.948631
  C      -4.374829      6.433666      5.974939
  C      -4.288899      7.702865      5.101034
  C      -4.345848      7.449738      3.595058
  C      -5.655784      6.928182      3.055885
  N      -6.743507      7.064987      3.800139
  C      -7.914682      6.585410      3.297661
  N      -8.122009      6.013032      2.130777
  C      -7.014250      5.837513      1.352537
  C      -7.148522      5.161794      0.114655
  C      -6.043831      4.937551     -0.680203
  C      -4.773107      5.417223     -0.287504
  C      -4.616558      6.091352      0.909290
  C      -5.725310      6.295097      1.770565
  C      -5.916730      2.523270      7.586252
  C      -6.837242      3.670479      8.028044
  C      -8.301853      3.280304      8.302452
  C      -9.137329      2.989806      7.075318
  N      -8.579806      2.300366      6.089850
  C      -9.285562      2.124804      4.942318
  N     -10.506732      2.546946      4.681804
  C     -11.134800      3.212900      5.698533
  C     -12.461966      3.665706      5.496952
  C     -13.132054      4.330187      6.503342
  C     -12.501932      4.568835      7.746000
  C     -11.204523      4.149532      7.964778
  C     -10.486454      3.464429      6.951287
  H      -3.704493      1.003667      2.760180
  H      -5.078405      1.489192      3.758447
  H      -4.501766     -0.763862      5.106925
  H      -3.802129     -1.231847      3.544879
  H      -6.147698     -1.926461      3.511553
  H      -6.678622     -0.367031      4.187948
  H      -7.464271      2.505540      0.928595
  H      -5.519662     -0.021221     -2.384728
  H      -4.333445     -2.220062     -2.441373
  H      -4.013947     -3.524412     -0.343490
  H      -4.864986     -2.658021      1.810214
  H      -5.404760      6.055112      5.937369
  H      -4.192979      6.744010      7.026644
  H      -3.347735      8.235973      5.313917
  H      -5.109214      8.372751      5.400053
  H      -4.109022      8.383885      3.054121
  H      -3.540574      6.748195      3.327184
  H      -8.783644      6.681377      3.956643
  H      -8.142979      4.815247     -0.170648
  H      -6.147834      4.387823     -1.616784
  H      -3.911611      5.254318     -0.937319
  H      -3.633306      6.472766      1.188959
  H      -5.851264      1.777134      8.405451
  H      -6.393059      2.023960      6.734716
  H      -6.430833      4.129793      8.944864
  H      -6.813240      4.448366      7.249316
  H      -8.346396      2.408272      8.981219
  H      -8.769454      4.107993      8.851768
  H      -8.757413      1.589969      4.143826
  H     -12.925625      3.466554      4.529701
  H     -14.155361      4.674565      6.342984
  H     -13.045186      5.090352      8.535826
  H     -10.735990      4.339122      8.930531
  N      -3.184946      3.900590      3.148042
  H      -2.225647      4.246262      3.066200
  H      -3.795666      4.630836      2.776193
  H      -3.271364      3.108269      2.505507
  N      -5.783799      3.720441      4.665032
  N      -6.844998      4.052150      4.366288
101
Coordinates from ORCA-job orca E -6314.493784996537
  N      -3.319590      1.567433      4.761764
  Mo     -3.999356      3.396539      5.368009
  N      -4.578221      2.941513      7.210688
  C      -3.546483      2.878998      8.236863
  C      -2.248419      2.403858      7.591900
  N      -1.990151      3.193607      6.350650
  C      -1.109351      2.450758      5.415918
  C      -1.892331      1.370448      4.627626
  C      -1.466023      4.549296      6.677112
  C      -2.067566      5.582064      5.721670
  N      -3.493942      5.342564      5.603192
  H      -1.588082      1.435444      3.557470
  H      -1.579416      0.357492      4.956368
  H      -0.679913      3.187429      4.722629
  H      -0.266929      2.005688      5.976890
  H      -1.848781      6.593227      6.109913
  H      -1.554403      5.522768      4.738344
  H      -1.794275      4.790168      7.697168
  H      -0.361028      4.547578      6.666505
  H      -3.816368      2.170700      9.042233
  H      -3.389296      3.860980      8.733546
  H      -2.370845      1.358003      7.280543
  H      -1.384296      2.473426      8.278715
  C      -4.139967      0.913451      3.769064
  C      -4.496055     -0.570533      4.007885
  C      -5.921710     -0.892022      3.490532
  C      -6.180550     -0.296933      2.133757
  N      -6.874948      0.838199      2.106030
  C      -7.000255      1.471394      0.909072
  N      -6.525065      1.085521     -0.259984
  C      -5.852374     -0.105959     -0.268512
  C      -5.338597     -0.601346     -1.492417
  C      -4.646787     -1.794877     -1.521659
  C      -4.441474     -2.538535     -0.335593
  C      -4.930765     -2.078458      0.870312
  C      -5.646265     -0.856534      0.931770
  C      -4.379213      6.428124      5.991064
  C      -4.299432      7.697142      5.116868
  C      -4.375226      7.444114      3.611759
  C      -5.692957      6.925095      3.089265
  N      -6.771442      7.068899      3.845288
  C      -7.950836      6.595748      3.356404
  N      -8.172959      6.015664      2.196376
  C      -7.074522      5.830935      1.407066
  C      -7.224432      5.148158      0.174845
  C      -6.130404      4.922004     -0.634016
  C      -4.854801      5.404274     -0.260548
  C      -4.682716      6.082610      0.931456
  C      -5.780028      6.289469      1.806463
  C      -5.913542      2.519368      7.605232
  C      -6.832637      3.672699      8.033293
  C      -8.297084      3.282196      8.310921
  C      -9.128184      2.992034      7.081265
  N      -8.582598      2.255921      6.122734
  C      -9.281134      2.070392      4.972703
  N     -10.486021      2.521877      4.686358
  C     -11.101123      3.240969      5.673910
  C     -12.409572      3.732431      5.441955
  C     -13.066360      4.453196      6.417591
  C     -12.441219      4.711272      7.658985
  C     -11.162263      4.253984      7.907080
  C     -10.457608      3.510512      6.925639
  H      -3.702160      1.003324      2.745131
  H      -5.094197      1.462855      3.731580
  H      -4.466326     -0.777291      5.088373
  H      -3.756924     -1.229974      3.526090
  H      -6.081668     -1.980560      3.484933
  H      -6.653317     -0.442051      4.175807
  H      -7.539425      2.423699      0.934391
  H      -5.511220     -0.014218     -2.395637
  H      -4.255333     -2.174036     -2.467323
  H      -3.894962     -3.481930     -0.378443
  H      -4.772603     -2.657916      1.780669
  H      -5.409632      6.049896      5.961807
  H      -4.188416      6.738096      7.041297
  H      -3.353724      8.226554      5.318555
  H      -5.113630      8.369792      5.426081
  H      -4.144126      8.378134      3.068178
  H      -3.574155      6.741810      3.333955
  H      -8.812825      6.705457      4.022330
  H      -8.222236      4.799703     -0.095992
  H      -6.246636      4.367859     -1.566547
  H      -4.001926      5.239756     -0.921173
  H      -3.695886      6.465003      1.196751
  H      -5.850158      1.783075      8.433159
  H      -6.390176      2.010045      6.759350
  H      -6.426234      4.143274      8.944259
  H      -6.809677      4.440831      7.245000
  H      -8.338975      2.406930      8.985338
  H      -8.764155      4.107378      8.863511
  H      -8.762859      1.496354      4.195425
  H     -12.869202      3.517685      4.476170
  H     -14.074974      4.827788      6.233752
  H     -12.973645      5.278125      8.424532
  H     -10.698578      4.459727      8.871711
  N      -3.207252      3.905787      3.148661
  H      -2.249428      4.254613      3.063909
  H      -3.821759      4.632783      2.776893
  H      -3.292846      3.110836      2.509428
  N      -5.793400      3.706695      4.680587
  N      -6.856331      4.025200      4.373321
101
Coordinates from ORCA-job orca E -6314.495203619591
  N      -3.332170      1.571781      4.748298
  Mo     -4.004700      3.392171      5.379387
  N      -4.572055      2.930716      7.223238
  C      -3.535074      2.862638      8.243964
  C      -2.239635      2.393789      7.589420
  N      -1.991349      3.187403      6.348715
  C      -1.118214      2.447962      5.404852
  C      -1.904677      1.360830      4.631448
  C      -1.465953      4.542531      6.675432
  C      -2.072551      5.578359      5.726584
  N      -3.499569      5.338343      5.613771
  H      -1.591617      1.403764      3.563019
  H      -1.603613      0.351469      4.981930
  H      -0.702339      3.185752      4.704499
  H      -0.265891      2.007984      5.955169
  H      -1.853133      6.587945      6.118545
  H      -1.563992      5.523920      4.740638
  H      -1.789457      4.780595      7.697707
  H      -0.360968      4.540939      6.659875
  H      -3.800323      2.147477      9.044760
  H      -3.377360      3.841181      8.747227
  H      -2.360859      1.348244      7.276298
  H      -1.371580      2.463869      8.271130
  C      -4.142829      0.909763      3.752980
  C      -4.468113     -0.581579      3.991408
  C      -5.886547     -0.936785      3.475479
  C      -6.164720     -0.344160      2.121411
  N      -6.892124      0.769972      2.097631
  C      -7.037671      1.401766      0.902067
  N      -6.551499      1.034161     -0.268128
  C      -5.842694     -0.136435     -0.280517
  C      -5.314304     -0.612270     -1.505834
  C      -4.587793     -1.785028     -1.538618
  C      -4.361241     -2.526232     -0.354943
  C      -4.863928     -2.084504      0.852316
  C      -5.614669     -0.884075      0.917412
  C      -4.382401      6.422506      6.010717
  C      -4.310913      7.693099      5.138408
  C      -4.408124      7.443230      3.634129
  C      -5.734141      6.927050      3.130856
  N      -6.801028      7.074798      3.902085
  C      -7.989262      6.607709      3.429211
  N      -8.228738      6.022848      2.275182
  C      -7.141766      5.831908      1.471379
  C      -7.309643      5.144240      0.244154
  C      -6.228103      4.918227     -0.581600
  C      -4.947615      5.403987     -0.230105
  C      -4.757879      6.084950      0.957550
  C      -5.841440      6.291718      1.849558
  C      -5.907085      2.511946      7.622688
  C      -6.828687      3.668017      8.037325
  C      -8.293401      3.273251      8.313553
  C      -9.118726      2.985939      7.079586
  N      -8.588860      2.203170      6.149084
  C      -9.278926      2.012355      4.995139
  N     -10.463483      2.497792      4.680686
  C     -11.061876      3.269760      5.637564
  C     -12.347036      3.804521      5.372652
  C     -12.986146      4.581961      6.315695
  C     -12.365930      4.855452      7.556402
  C     -11.109848      4.355614      7.836396
  C     -10.423477      3.552773      6.889182
  H      -3.699857      1.005247      2.731526
  H      -5.106195      1.441126      3.708980
  H      -4.434039     -0.786008      5.072275
  H      -3.715225     -1.225575      3.510293
  H      -6.017834     -2.029173      3.464360
  H      -6.628527     -0.509944      4.164409
  H      -7.608146      2.335452      0.930698
  H      -5.504216     -0.027551     -2.407136
  H      -4.185150     -2.149522     -2.485345
  H      -3.787412     -3.453131     -0.400762
  H      -4.689103     -2.662084      1.760748
  H      -5.412756      6.043526      5.989415
  H      -4.182716      6.730740      7.059857
  H      -3.361025      8.219395      5.328183
  H      -5.119100      8.367062      5.460154
  H      -4.184645      8.378481      3.089485
  H      -3.611951      6.740944      3.343131
  H      -8.842365      6.728751      4.104531
  H      -8.310892      4.793324     -0.010262
  H      -6.358301      4.361308     -1.510693
  H      -4.105043      5.239911     -0.903910
  H      -3.767552      6.469225      1.206628
  H      -5.843994      1.785284      8.458966
  H      -6.382545      1.991676      6.782677
  H      -6.425596      4.148540      8.944456
  H      -6.806760      4.428258      7.241537
  H      -8.332355      2.392962      8.981083
  H      -8.762343      4.093814      8.870559
  H      -8.772846      1.399834      4.239680
  H     -12.802474      3.577470      4.407724
  H     -13.976473      4.990426      6.106339
  H     -12.883920      5.468314      8.295946
  H     -10.650599      4.574892      8.800146
  N      -3.228312      3.913885      3.147098
  H      -2.272352      4.266866      3.058954
  H      -3.847401      4.637133      2.775616
  H      -3.312333      3.116617      2.510679
  N      -5.801025      3.694294      4.696192
  N      -6.866039      3.998676      4.381484
101
Coordinates from ORCA-job orca E -6314.496592969737
  N      -3.346463      1.575160      4.734947
  Mo     -4.012559      3.386259      5.390609
  N      -4.564706      2.917442      7.236308
  C      -3.520773      2.844524      8.249609
  C      -2.228689      2.382855      7.583210
  N      -1.993034      3.181533      6.343213
  C      -1.129087      2.447092      5.387764
  C      -1.919118      1.351551      4.632397
  C      -1.466312      4.536056      6.670161
  C      -2.081067      5.575187      5.730180
  N      -3.508517      5.333715      5.626507
  H      -1.599395      1.371254      3.565670
  H      -1.628346      0.347285      5.005783
  H      -0.731211      3.186702      4.678917
  H      -0.264155      2.014183      5.924298
  H      -1.860565      6.583037      6.126071
  H      -1.579447      5.526622      4.740408
  H      -1.782588      4.770248      7.695630
  H      -0.361437      4.535035      6.646883
  H      -3.779462      2.122715      9.046555
  H      -3.361912      3.819830      8.758716
  H      -2.348419      1.337700      7.268061
  H      -1.355869      2.453876      8.258613
  C      -4.149702      0.905043      3.738958
  C      -4.443868     -0.592559      3.977672
  C      -5.854751     -0.979077      3.464060
  C      -6.150875     -0.388148      2.113173
  N      -6.910768      0.704116      2.093946
  C      -7.077677      1.333922      0.899912
  N      -6.581343      0.985590     -0.271642
  C      -5.836448     -0.162598     -0.288392
  C      -5.294191     -0.617583     -1.515429
  C      -4.533479     -1.768407     -1.552504
  C      -4.285608     -2.507545     -0.371880
  C      -4.801025     -2.085508      0.837088
  C      -5.586111     -0.907496      0.906672
  C      -4.389372      6.414000      6.037074
  C      -4.329190      7.687374      5.168270
  C      -4.450418      7.440892      3.665157
  C      -5.784691      6.926171      3.182653
  N      -6.839645      7.077292      3.969278
  C      -8.036222      6.614430      3.513625
  N      -8.292923      6.023601      2.366638
  C      -7.218042      5.827493      1.547930
  C      -7.404241      5.134353      0.326472
  C      -6.336057      4.909227     -0.516740
  C      -5.051107      5.399445     -0.188375
  C      -4.843340      6.083708      0.994257
  C      -5.912466      6.290191      1.903542
  C      -5.899410      2.503482      7.640730
  C      -6.820472      3.663618      8.044025
  C      -8.285274      3.265385      8.318540
  C      -9.099010      2.978807      7.077506
  N      -8.585286      2.142633      6.184475
  C      -9.260845      1.942382      5.023944
  N     -10.418716      2.463964      4.670366
  C     -10.999520      3.295992      5.586361
  C     -12.254287      3.876706      5.275777
  C     -12.874314      4.718181      6.175226
  C     -12.264983      5.011556      7.416891
  C     -11.038987      4.466410      7.741348
  C     -10.372216      3.596993      6.839675
  H      -3.704722      1.006785      2.718863
  H      -5.122014      1.419455      3.692211
  H      -4.404310     -0.795517      5.058682
  H      -3.678468     -1.221253      3.496296
  H      -5.958784     -2.074409      3.447052
  H      -6.605773     -0.575310      4.157140
  H      -7.680265      2.247130      0.932203
  H      -5.501441     -0.035329     -2.414466
  H      -4.120207     -2.117190     -2.500556
  H      -3.685062     -3.417151     -0.421507
  H      -4.609871     -2.661271      1.743303
  H      -5.419252      6.033172      6.024946
  H      -4.179509      6.718978      7.085250
  H      -3.375580      8.211470      5.344855
  H      -5.131369      8.361540      5.504173
  H      -4.236448      8.377611      3.119230
  H      -3.659352      6.739286      3.359649
  H      -8.880036      6.746442      4.198507
  H      -8.408490      4.779794      0.089690
  H      -6.480332      4.349194     -1.441941
  H      -4.219506      5.236062     -0.875791
  H      -3.849998      6.470836      1.226318
  H      -5.837582      1.785556      8.484424
  H      -6.375433      1.973959      6.806375
  H      -6.419552      4.152839      8.947320
  H      -6.799170      4.416706      7.241554
  H      -8.322554      2.381243      8.980380
  H      -8.757362      4.082281      8.877361
  H      -8.767775      1.284876      4.298513
  H     -12.700975      3.633575      4.310725
  H     -13.840716      5.162624      5.930450
  H     -12.767524      5.675959      8.121723
  H     -10.588774      4.702993      8.705183
  N      -3.258244      3.922987      3.143245
  H      -2.304991      4.281619      3.048997
  H      -3.883942      4.641631      2.773695
  H      -3.341007      3.123524      2.509538
  N      -5.812312      3.679147      4.715418
  N      -6.880454      3.967783      4.395957
101
Coordinates from ORCA-job orca E -6314.498047436721
  N      -3.358052      1.578162      4.723942
  Mo     -4.020086      3.379606      5.402486
  N      -4.555561      2.902396      7.249988
  C      -3.504336      2.826826      8.255280
  C      -2.215233      2.373769      7.576975
  N      -1.993521      3.177685      6.337763
  C      -1.138730      2.449608      5.369882
  C      -1.930872      1.344448      4.633624
  C      -1.466542      4.532041      6.664982
  C      -2.091699      5.574016      5.734828
  N      -3.519182      5.329648      5.641783
  H      -1.605766      1.341367      3.568844
  H      -1.648066      0.346597      5.029997
  H      -0.761705      3.191591      4.652184
  H      -0.259952      2.025391      5.891182
  H      -1.870537      6.580295      6.134476
  H      -1.598066      5.531814      4.740769
  H      -1.774591      4.761731      7.694013
  H      -0.361874      4.532662      6.632699
  H      -3.755182      2.098655      9.048941
  H      -3.345309      3.799517      8.769254
  H      -2.332116      1.328803      7.260153
  H      -1.337848      2.447168      8.246059
  C      -4.155975      0.900412      3.728428
  C      -4.420317     -0.602595      3.967221
  C      -5.823161     -1.020617      3.457117
  C      -6.139181     -0.433016      2.109593
  N      -6.928942      0.637613      2.096258
  C      -7.118475      1.265160      0.904373
  N      -6.615129      0.936008     -0.269458
  C      -5.836648     -0.189826     -0.291975
  C      -5.283684     -0.623914     -1.521692
  C      -4.490968     -1.752775     -1.564529
  C      -4.220852     -2.490042     -0.387650
  C      -4.745905     -2.087789      0.823966
  C      -5.562981     -0.932113      0.899589
  C      -4.399240      6.404053      6.067643
  C      -4.353443      7.681164      5.203506
  C      -4.500918      7.439397      3.701997
  C      -5.843225      6.925130      3.242327
  N      -6.884806      7.077495      4.046179
  C      -8.089461      6.616989      3.609756
  N      -8.364324      6.020889      2.469850
  C      -7.302937      5.822478      1.634103
  C      -7.508326      5.124844      0.418328
  C      -6.454757      4.902795     -0.444036
  C      -5.166081      5.399196     -0.140625
  C      -4.939509      6.086139      1.036938
  C      -5.992670      6.289643      1.965299
  C      -5.888826      2.490237      7.660226
  C      -6.811226      3.653122      8.051573
  C      -8.277216      3.251551      8.320562
  C      -9.075347      2.964891      7.070294
  N      -8.582298      2.072026      6.220797
  C      -9.239497      1.863013      5.051640
  N     -10.362862      2.424620      4.651395
  C     -10.920939      3.320142      5.519816
  C     -12.135812      3.951917      5.154634
  C     -12.730051      4.862118      6.002752
  C     -12.134117      5.175260      7.246211
  C     -10.947564      4.579803      7.623869
  C     -10.307807      3.638522      6.776094
  H      -3.711503      1.008974      2.708799
  H      -5.135891      1.399311      3.682259
  H      -4.374442     -0.804489      5.048234
  H      -3.643378     -1.215807      3.484535
  H      -5.899623     -2.118244      3.435014
  H      -6.581982     -0.639931      4.154787
  H      -7.750008      2.158330      0.942206
  H      -5.508719     -0.044100     -2.417994
  H      -4.069468     -2.085757     -2.514646
  H      -3.595410     -3.382412     -0.442427
  H      -4.538079     -2.661720      1.727608
  H      -5.427864      6.019605      6.065256
  H      -4.179004      6.705523      7.114805
  H      -3.396866      8.204377      5.365827
  H      -5.149898      8.354000      5.555219
  H      -4.298515      8.378374      3.155514
  H      -3.715253      6.739443      3.379996
  H      -8.922981      6.758444      4.305334
  H      -8.515047      4.765158      0.200732
  H      -6.613559      4.340245     -1.365402
  H      -4.346617      5.238305     -0.843011
  H      -3.943806      6.477699      1.250726
  H      -5.826842      1.781262      8.511310
  H      -6.364717      1.950400      6.832091
  H      -6.414654      4.150919      8.951965
  H      -6.789178      4.399418      7.242938
  H      -8.315442      2.364575      8.977658
  H      -8.753709      4.066179      8.878318
  H      -8.762454      1.158641      4.360742
  H     -12.571597      3.692904      4.188776
  H     -13.665051      5.346564      5.715629
  H     -12.615643      5.895226      7.909914
  H     -10.507415      4.834456      8.587726
  N      -3.291962      3.934172      3.139084
  H      -2.342221      4.299968      3.037127
  H      -3.925926      4.647378      2.772728
  H      -3.373168      3.132786      2.507724
  N      -5.824524      3.662176      4.737393
  N      -6.896441      3.933433      4.414787
101
Coordinates from ORCA-job orca E -6314.499777560140
  N      -3.364531      1.581277      4.715529
  Mo     -4.032261      3.369548      5.417708
  N      -4.543009      2.876841      7.267197
  C      -3.481736      2.803508      8.261129
  C      -2.194987      2.366469      7.567117
  N      -1.994051      3.179732      6.330330
  C      -1.147513      2.465359      5.345428
  C      -1.936826      1.348561      4.627369
  C      -1.472421      4.535563      6.659589
  C      -2.116668      5.579196      5.743927
  N      -3.542748      5.325958      5.666886
  H      -1.611664      1.330264      3.563204
  H      -1.651562      0.358072      5.040499
  H      -0.799692      3.213684      4.619725
  H      -0.251211      2.053762      5.847154
  H      -1.897141      6.584147      6.148158
  H      -1.634538      5.547034      4.743817
  H      -1.769152      4.756804      7.693811
  H      -0.368268      4.543280      6.613743
  H      -3.718312      2.067798      9.052256
  H      -3.325563      3.774221      8.779713
  H      -2.304583      1.321903      7.246679
  H      -1.312159      2.445341      8.228214
  C      -4.161895      0.895585      3.724746
  C      -4.394503     -0.612469      3.962437
  C      -5.789924     -1.062024      3.461534
  C      -6.131059     -0.477397      2.119222
  N      -6.949802      0.570835      2.117551
  C      -7.169961      1.196782      0.930301
  N      -6.668141      0.887763     -0.249496
  C      -5.857037     -0.214570     -0.283621
  C      -5.302032     -0.626399     -1.520041
  C      -4.477998     -1.731989     -1.575148
  C      -4.177700     -2.467997     -0.404851
  C      -4.703947     -2.087243      0.813233
  C      -5.551888     -0.955060      0.901647
  C      -4.425154      6.388050      6.115459
  C      -4.402055      7.671285      5.259107
  C      -4.580106      7.435932      3.759939
  C      -5.929697      6.918557      3.326458
  N      -6.956235      7.069075      4.150031
  C      -8.167851      6.605942      3.736397
  N      -8.461547      6.003672      2.604568
  C      -7.415726      5.807224      1.748864
  C      -7.641678      5.104870      0.539559
  C      -6.604682      4.888466     -0.344120
  C      -5.313476      5.394644     -0.068918
  C      -5.066960      6.085263      1.102533
  C      -6.102027      6.282978      2.052195
  C      -5.872091      2.459602      7.685072
  C      -6.795596      3.624321      8.066171
  C      -8.266208      3.226280      8.320650
  C      -9.033062      2.934603      7.053839
  N      -8.569996      1.967350      6.270318
  C      -9.193752      1.746903      5.085071
  N     -10.257652      2.363131      4.610107
  C     -10.781015      3.341790      5.406896
  C     -11.925580      4.044776      4.954973
  C     -12.478078      5.044791      5.726427
  C     -11.909261      5.380046      6.976990
  C     -10.791555      4.715148      7.438824
  C     -10.197027      3.679872      6.671743
  H      -3.727059      1.014649      2.702340
  H      -5.148856      1.381253      3.690484
  H      -4.336068     -0.816118      5.042532
  H      -3.607893     -1.207840      3.473048
  H      -5.838612     -2.161203      3.434750
  H      -6.552969     -0.704897      4.166873
  H      -7.828279      2.069827      0.979188
  H      -5.550517     -0.048907     -2.411590
  H      -4.054960     -2.047833     -2.530430
  H      -3.528160     -3.342258     -0.470060
  H      -4.473863     -2.659472      1.712578
  H      -5.450722      5.995509      6.125743
  H      -4.192609      6.684643      7.161491
  H      -3.444377      8.197057      5.405290
  H      -5.193963      8.339073      5.630186
  H      -4.394043      8.378344      3.213498
  H      -3.799401      6.740152      3.418342
  H      -8.990507      6.754595      4.443521
  H      -8.649997      4.737084      0.344295
  H      -6.778185      4.322767     -1.260932
  H      -4.507949      5.237948     -0.788151
  H      -4.070031      6.484305      1.295693
  H      -5.807425      1.757156      8.541059
  H      -6.348155      1.910841      6.862442
  H      -6.405772      4.129391      8.965315
  H      -6.767574      4.364714      7.252485
  H      -8.318889      2.342726      8.979954
  H      -8.748647      4.047331      8.863792
  H      -8.741273      0.979523      4.447738
  H     -12.339706      3.768230      3.984513
  H     -13.358004      5.584809      5.372336
  H     -12.356557      6.173088      7.578439
  H     -10.368525      4.990665      8.404839
  N      -3.344634      3.953247      3.137296
  H      -2.401417      4.332029      3.022525
  H      -3.993106      4.658280      2.780158
  H      -3.423523      3.151377      2.506366
  N      -5.846500      3.636728      4.772633
  N      -6.925892      3.885998      4.455322
101
Coordinates from ORCA-job orca E -6314.500300947673
  N      -3.368396      1.584279      4.717511
  Mo     -4.026284      3.376458      5.417635
  N      -4.536618      2.885822      7.266736
  C      -3.475227      2.811926      8.260120
  C      -2.189516      2.369337      7.566602
  N      -1.987180      3.178372      6.327705
  C      -1.148187      2.459086      5.340307
  C      -1.942604      1.338069      4.637094
  C      -1.456211      4.530904      6.654097
  C      -2.099531      5.577762      5.741595
  N      -3.526730      5.331586      5.671711
  H      -1.613995      1.299913      3.575091
  H      -1.667167      0.353045      5.069383
  H      -0.808550      3.203629      4.607046
  H      -0.247046      2.050146      5.835682
  H      -1.873100      6.581473      6.144881
  H      -1.622812      5.542698      4.739170
  H      -1.746665      4.754406      7.689553
  H      -0.352427      4.531810      6.602931
  H      -3.713588      2.077955      9.052200
  H      -3.316504      3.783402      8.776229
  H      -2.301652      1.323953      7.250260
  H      -1.306936      2.448441      8.227695
  C      -4.171536      0.904134      3.729476
  C      -4.409599     -0.602197      3.971842
  C      -5.801700     -1.057223      3.471309
  C      -6.143301     -0.482305      2.125469
  N      -6.960280      0.566020      2.117428
  C      -7.184610      1.182193      0.926873
  N      -6.684758      0.866550     -0.251392
  C      -5.871766     -0.234504     -0.279073
  C      -5.317184     -0.652815     -1.513195
  C      -4.492306     -1.757844     -1.562066
  C      -4.190862     -2.486996     -0.388065
  C      -4.716568     -2.099773      0.828088
  C      -5.564796     -0.967579      0.910342
  C      -4.401425      6.394967      6.129209
  C      -4.375607      7.680394      5.276778
  C      -4.571407      7.450093      3.779567
  C      -5.929944      6.944696      3.363218
  N      -6.943031      7.101032      4.201759
  C      -8.163012      6.649171      3.804830
  N      -8.477496      6.050191      2.676835
  C      -7.445468      5.849058      1.804586
  C      -7.693045      5.153641      0.595784
  C      -6.670629      4.937919     -0.305520
  C      -5.373248      5.435893     -0.048021
  C      -5.105430      6.118512      1.123165
  C      -6.124895      6.316270      2.089225
  C      -5.864875      2.466421      7.681631
  C      -6.796453      3.631165      8.044090
  C      -8.263803      3.221364      8.300994
  C      -9.020644      2.904654      7.034936
  N      -8.558978      1.913036      6.281618
  C      -9.178304      1.667199      5.099056
  N     -10.236919      2.275304      4.601490
  C     -10.754890      3.280978      5.365896
  C     -11.889286      3.981875      4.886296
  C     -12.433014      5.012330      5.622256
  C     -11.865730      5.380881      6.864002
  C     -10.759032      4.717575      7.352815
  C     -10.173528      3.650998      6.622790
  H      -3.737398      1.019363      2.706584
  H      -5.156326      1.395864      3.698857
  H      -4.352939     -0.800930      5.052891
  H      -3.623389     -1.200215      3.485333
  H      -5.846003     -2.156652      3.449557
  H      -6.567077     -0.700187      4.174004
  H      -7.845325      2.053119      0.972809
  H      -5.566506     -0.081002     -2.407859
  H      -4.069549     -2.078744     -2.515539
  H      -3.540963     -3.361025     -0.448931
  H      -4.486346     -2.666345      1.730666
  H      -5.428932      6.007441      6.143342
  H      -4.162141      6.687638      7.174762
  H      -3.412203      8.197418      5.414444
  H      -5.158298      8.353459      5.657322
  H      -4.384658      8.392483      3.233590
  H      -3.801321      6.748233      3.427027
  H      -8.973789      6.810910      4.522850
  H      -8.705597      4.791197      0.414251
  H      -6.861053      4.378742     -1.222788
  H      -4.579975      5.279504     -0.780478
  H      -4.104178      6.512025      1.303600
  H      -5.802718      1.773716      8.545505
  H      -6.333696      1.905495      6.863157
  H      -6.411998      4.152239      8.936028
  H      -6.774466      4.360222      7.219619
  H      -8.306509      2.345164      8.969636
  H      -8.757227      4.043384      8.832400
  H      -8.725700      0.885658      4.482167
  H     -12.301138      3.679879      3.922766
  H     -13.304392      5.551200      5.246675
  H     -12.305639      6.198476      7.436894
  H     -10.336354      5.020249      8.310619
  N      -3.343468      3.961620      3.130942
  H      -2.399453      4.337777      3.014501
  H      -3.990166      4.667101      2.771218
  H      -3.423892      3.158126      2.502548
  N      -5.846008      3.656910      4.784626
  N      -6.926088      3.906266      4.468597
101
Coordinates from ORCA-job orca E -6314.500553621247
  N      -3.387744      1.597455      4.713962
  Mo     -4.030222      3.391163      5.421478
  N      -4.532202      2.899874      7.272005
  C      -3.466148      2.821720      8.259704
  C      -2.185581      2.373850      7.559348
  N      -1.986824      3.181425      6.319162
  C      -1.160623      2.458480      5.323984
  C      -1.964678      1.335329      4.636823
  C      -1.444208      4.529950      6.642335
  C      -2.089061      5.581644      5.736529
  N      -3.517942      5.344383      5.678350
  H      -1.635597      1.278536      3.575996
  H      -1.699256      0.354220      5.084274
  H      -0.832750      3.200557      4.582931
  H      -0.252200      2.051379      5.807675
  H      -1.853140      6.583527      6.139002
  H      -1.620706      5.544506      4.730240
  H      -1.723841      4.754496      7.680552
  H      -0.340963      4.523293      6.581370
  H      -3.703104      2.087873      9.052300
  H      -3.300973      3.792238      8.775475
  H      -2.303128      1.328526      7.244883
  H      -1.299457      2.450356      8.215901
  C      -4.197377      0.921243      3.728022
  C      -4.438539     -0.584603      3.970563
  C      -5.827331     -1.042140      3.464619
  C      -6.161383     -0.472761      2.114406
  N      -6.979760      0.573857      2.096303
  C      -7.200634      1.182741      0.901722
  N      -6.693328      0.863209     -0.272094
  C      -5.876311     -0.235074     -0.289545
  C      -5.312497     -0.656870     -1.518216
  C      -4.484589     -1.759997     -1.557182
  C      -4.189351     -2.483952     -0.378558
  C      -4.723977     -2.093177      0.832557
  C      -5.574903     -0.962440      0.904770
  C      -4.382606      6.411521      6.143923
  C      -4.351639      7.694195      5.287142
  C      -4.557077      7.457900      3.791953
  C      -5.921390      6.962819      3.383027
  N      -6.931777      7.140989      4.219825
  C      -8.156453      6.697850      3.830109
  N      -8.478592      6.084879      2.711940
  C      -7.449382      5.860599      1.841741
  C      -7.704109      5.147879      0.644661
  C      -6.684139      4.908277     -0.253392
  C      -5.382149      5.398396     -0.005002
  C      -5.107154      6.096966      1.154895
  C      -6.124165      6.319458      2.117974
  C      -5.857094      2.471900      7.687787
  C      -6.798564      3.632636      8.038225
  C      -8.263293      3.212327      8.295698
  C      -9.011968      2.881269      7.028841
  N      -8.549590      1.876441      6.293199
  C      -9.167033      1.614660      5.113102
  N     -10.225396      2.214039      4.604156
  C     -10.740939      3.234874      5.349085
  C     -11.871513      3.931382      4.854380
  C     -12.409200      4.980440      5.567638
  C     -11.839858      5.372342      6.801311
  C     -10.738264      4.712347      7.305385
  C     -10.159172      3.626368      6.599153
  H      -3.765951      1.035573      2.703890
  H      -5.179732      1.416883      3.702575
  H      -4.385181     -0.781692      5.052078
  H      -3.651026     -1.183707      3.487402
  H      -5.870100     -2.141722      3.445751
  H      -6.597245     -0.684683      4.162115
  H      -7.865876      2.050595      0.940298
  H      -5.557271     -0.089427     -2.416852
  H      -4.054719     -2.083586     -2.506523
  H      -3.537203     -3.356750     -0.431870
  H      -4.498909     -2.655488      1.739078
  H      -5.412468      6.030559      6.165299
  H      -4.135453      6.704558      7.187609
  H      -3.382963      8.203145      5.417097
  H      -5.126427      8.375564      5.668995
  H      -4.364318      8.395375      3.239677
  H      -3.795285      6.746628      3.440588
  H      -8.963654      6.883623      4.546424
  H      -8.719737      4.790909      0.469956
  H      -6.880194      4.336366     -1.161538
  H      -4.590964      5.222626     -0.735246
  H      -4.102099      6.483358      1.329346
  H      -5.792476      1.786114      8.556884
  H      -6.319653      1.899946      6.873467
  H      -6.419382      4.165348      8.925436
  H      -6.782455      4.353809      7.206873
  H      -8.298542      2.338861      8.967888
  H      -8.764880      4.032821      8.821711
  H      -8.713718      0.825377      4.507818
  H     -12.283992      3.611898      3.896842
  H     -13.276851      5.516682      5.180009
  H     -12.274467      6.205227      7.355831
  H     -10.313365      5.033815      8.255964
  N      -3.362560      3.981119      3.126791
  H      -2.420675      4.360890      3.004885
  H      -4.013967      4.682858      2.768108
  H      -3.442262      3.175476      2.501134
  N      -5.854019      3.682933      4.803078
  N      -6.936285      3.934074      4.494480
101
Coordinates from ORCA-job orca E -6314.500799026895
  N      -3.402532      1.601343      4.715053
  Mo     -4.027502      3.401518      5.419060
  N      -4.531086      2.919365      7.271379
  C      -3.464043      2.836713      8.257942
  C      -2.187528      2.376465      7.558282
  N      -1.984803      3.177219      6.314845
  C      -1.168917      2.444719      5.318467
  C      -1.982887      1.318366      4.649407
  C      -1.428470      4.521748      6.631344
  C      -2.067136      5.576279      5.724559
  N      -3.498167      5.351023      5.672346
  H      -1.648890      1.236123      3.591807
  H      -1.732698      0.342781      5.117608
  H      -0.848670      3.180332      4.567614
  H      -0.255830      2.040040      5.795563
  H      -1.821047      6.577285      6.123164
  H      -1.602604      5.531938      4.716729
  H      -1.701615      4.752484      7.669983
  H      -0.325557      4.504576      6.565742
  H      -3.705373      2.107269      9.053209
  H      -3.291054      3.807751      8.770055
  H      -2.312621      1.330333      7.249272
  H      -1.300165      2.450071      8.213536
  C      -4.214762      0.927319      3.729269
  C      -4.465516     -0.576190      3.975796
  C      -5.850656     -1.031461      3.457791
  C      -6.170593     -0.467213      2.101520
  N      -6.990200      0.578063      2.069402
  C      -7.203636      1.178234      0.869041
  N      -6.685051      0.852546     -0.298272
  C      -5.864253     -0.243188     -0.301249
  C      -5.287598     -0.670700     -1.522073
  C      -4.457438     -1.772604     -1.547048
  C      -4.172779     -2.489817     -0.361722
  C      -4.719857     -2.093289      0.841957
  C      -5.572871     -0.963297      0.899953
  C      -4.351531      6.426490      6.140004
  C      -4.312338      7.709363      5.283531
  C      -4.527008      7.474664      3.789609
  C      -5.898548      6.991206      3.391653
  N      -6.900506      7.182337      4.235854
  C      -8.132991      6.752388      3.856819
  N      -8.469892      6.135815      2.744874
  C      -7.449342      5.895582      1.868662
  C      -7.719074      5.175494      0.679304
  C      -6.708276      4.922066     -0.225337
  C      -5.401268      5.406583      0.007161
  C      -5.111548      6.111687      1.159433
  C      -6.118128      6.345800      2.130659
  C      -5.853684      2.483661      7.689028
  C      -6.805845      3.639263      8.027954
  C      -8.268338      3.209716      8.287098
  C      -9.017518      2.866226      7.023491
  N      -8.551937      1.857765      6.294275
  C      -9.175655      1.580561      5.121227
  N     -10.244932      2.163212      4.615681
  C     -10.761841      3.189080      5.352799
  C     -11.902428      3.870372      4.859784
  C     -12.439271      4.926918      5.562417
  C     -11.859576      5.341127      6.784024
  C     -10.749889      4.694433      7.287636
  C     -10.171255      3.600847      6.592350
  H      -3.780269      1.035183      2.705603
  H      -5.193326      1.428779      3.700635
  H      -4.423114     -0.768146      5.058778
  H      -3.675575     -1.180495      3.502893
  H      -5.896238     -2.131052      3.443182
  H      -6.626754     -0.669273      4.145953
  H      -7.874759      2.042371      0.896024
  H      -5.524797     -0.108724     -2.426255
  H      -4.017742     -2.100606     -2.490438
  H      -3.518821     -3.361954     -0.403927
  H      -4.502743     -2.650360      1.753740
  H      -5.384662      6.054731      6.164572
  H      -4.098647      6.717511      7.182935
  H      -3.338244      8.209123      5.408985
  H      -5.078924      8.398024      5.668906
  H      -4.329392      8.410239      3.235722
  H      -3.773602      6.756548      3.434294
  H      -8.932099      6.954925      4.577727
  H      -8.738498      4.823763      0.515999
  H      -6.915977      4.344863     -1.127627
  H      -4.617895      5.220728     -0.729086
  H      -4.102676      6.493481      1.322013
  H      -5.784825      1.806205      8.564180
  H      -6.310626      1.899463      6.880147
  H      -6.432332      4.182094      8.911485
  H      -6.794498      4.353054      7.190744
  H      -8.295247      2.337594      8.961570
  H      -8.774386      4.028277      8.811540
  H      -8.720205      0.789862      4.519240
  H     -12.322228      3.534368      3.911043
  H     -13.313851      5.452381      5.175395
  H     -12.293164      6.180255      7.329996
  H     -10.317659      5.032911      8.228816
  N      -3.359557      3.981634      3.119023
  H      -2.420252      4.367659      2.996597
  H      -4.015721      4.674424      2.752105
  H      -3.430879      3.169319      2.500980
  N      -5.850507      3.705946      4.802288
  N      -6.931451      3.961623      4.494654
101
Coordinates from ORCA-job orca E -6314.501217463196
  N      -3.420751      1.605565      4.714794
  Mo     -4.029999      3.409627      5.420161
  N      -4.529545      2.933578      7.274794
  C      -3.459076      2.845826      8.257627
  C      -2.187582      2.376347      7.554804
  N      -1.985303      3.173366      6.309124
  C      -1.181011      2.434447      5.308639
  C      -2.004262      1.304024      4.660025
  C      -1.417114      4.514255      6.619495
  C      -2.053058      5.571349      5.713955
  N      -3.485779      5.356028      5.670114
  H      -1.666352      1.195793      3.606078
  H      -1.767169      0.335320      5.149175
  H      -0.873293      3.164852      4.547482
  H      -0.260787      2.033912      5.775624
  H      -1.797657      6.571340      6.109244
  H      -1.593940      5.521767      4.703862
  H      -1.682131      4.749465      7.659265
  H      -0.314771      4.488568      6.547120
  H      -3.701719      2.119852      9.055512
  H      -3.278012      3.816855      8.766801
  H      -2.319494      1.330016      7.249337
  H      -1.297467      2.446879      8.206684
  C      -4.234958      0.931634      3.730687
  C      -4.488400     -0.570569      3.981139
  C      -5.868415     -1.028473      3.452097
  C      -6.179996     -0.467078      2.092571
  N      -7.006095      0.572826      2.053063
  C      -7.217100      1.168609      0.850165
  N      -6.687844      0.844815     -0.313032
  C      -5.858185     -0.244255     -0.308165
  C      -5.268910     -0.668793     -1.524060
  C      -4.431038     -1.765009     -1.541740
  C      -4.151043     -2.479475     -0.353658
  C      -4.710093     -2.085536      0.845355
  C      -5.570764     -0.961052      0.895967
  C      -4.328164      6.438047      6.142259
  C      -4.283981      7.720386      5.284990
  C      -4.510798      7.485859      3.792803
  C      -5.889594      7.013282      3.407343
  N      -6.882921      7.219303      4.258436
  C      -8.122737      6.800550      3.891553
  N      -8.473933      6.176122      2.788421
  C      -7.462347      5.918036      1.906984
  C      -7.746865      5.186368      0.728156
  C      -6.745656      4.917542     -0.182612
  C      -5.434166      5.398411      0.031988
  C      -5.129918      6.113804      1.174066
  C      -6.125919      6.362139      2.152606
  C      -5.850502      2.492701      7.693613
  C      -6.809182      3.644996      8.024134
  C      -8.270040      3.208674      8.282189
  C      -9.012638      2.852904      7.018165
  N      -8.548157      1.830931      6.306459
  C      -9.172607      1.534954      5.138508
  N     -10.242576      2.108422      4.624035
  C     -10.755512      3.150469      5.341263
  C     -11.894753      3.825093      4.836190
  C     -12.425244      4.899355      5.516345
  C     -11.840628      5.338247      6.727030
  C     -10.733633      4.696991      7.243328
  C     -10.161811      3.585190      6.571512
  H      -3.800007      1.035188      2.706725
  H      -5.212170      1.436059      3.701066
  H      -4.455481     -0.758253      5.065227
  H      -3.693539     -1.175931      3.517813
  H      -5.912237     -2.128157      3.439174
  H      -6.650725     -0.666475      4.133137
  H      -7.896838      2.026302      0.870715
  H      -5.503039     -0.109326     -2.430625
  H      -3.981752     -2.090723     -2.481407
  H      -3.491133     -3.347399     -0.390001
  H      -4.496423     -2.640532      1.759248
  H      -5.363968      6.073979      6.172718
  H      -4.067522      6.727635      7.183687
  H      -3.304811      8.211909      5.403609
  H      -5.042010      8.415860      5.674905
  H      -4.309927      8.419118      3.236160
  H      -3.766093      6.761037      3.432933
  H      -8.913938      7.021748      4.615736
  H      -8.769591      4.838309      0.578098
  H      -6.964487      4.331678     -1.076705
  H      -4.658937      5.200871     -0.709842
  H      -4.117725      6.492334      1.323231
  H      -5.778974      1.821392      8.573014
  H      -6.303631      1.899914      6.888456
  H      -6.440320      4.194759      8.905325
  H      -6.800148      4.353943      7.183071
  H      -8.293169      2.338821      8.959753
  H      -8.781654      4.026507      8.802159
  H      -8.719364      0.732698      4.549976
  H     -12.317917      3.470470      3.895730
  H     -13.298098      5.420377      5.119525
  H     -12.268490      6.191981      7.254594
  H     -10.297242      5.054568      8.175453
  N      -3.368755      3.983903      3.113671
  H      -2.435122      4.382753      2.989106
  H      -4.035032      4.662969      2.739294
  H      -3.426885      3.164228      2.504103
  N      -5.853576      3.723018      4.808635
  N      -6.935039      3.980536      4.504415
101
Coordinates from ORCA-job orca E -6314.501574845071
  N      -3.438718      1.608437      4.713451
  Mo     -4.032731      3.416717      5.419198
  N      -4.531017      2.947786      7.276098
  C      -3.458133      2.855363      8.256347
  C      -2.191118      2.375675      7.552678
  N      -1.987440      3.168084      6.304589
  C      -1.193610      2.421711      5.301726
  C      -2.025638      1.288030      4.672460
  C      -1.407735      4.505416      6.608830
  C      -2.039263      5.564636      5.702704
  N      -3.473699      5.359471      5.664655
  H      -1.682371      1.153223      3.623363
  H      -1.802825      0.326813      5.182948
  H      -0.896580      3.146303      4.530725
  H      -0.267521      2.024688      5.760267
  H      -1.775253      6.563787      6.094424
  H      -1.583771      5.509212      4.691248
  H      -1.666303      4.745798      7.649077
  H      -0.305915      4.471053      6.531559
  H      -3.703490      2.134041      9.057468
  H      -3.269174      3.826921      8.761443
  H      -2.329788      1.329060      7.251308
  H      -1.299093      2.443204      8.202295
  C      -4.253180      0.934003      3.729790
  C      -4.509061     -0.566996      3.984236
  C      -5.882258     -1.029060      3.441034
  C      -6.184185     -0.469842      2.078264
  N      -7.017216      0.564193      2.030656
  C      -7.222770      1.157050      0.825385
  N      -6.680305      0.836633     -0.332852
  C      -5.841994     -0.245715     -0.319518
  C      -5.237633     -0.665983     -1.529576
  C      -4.391790     -1.756207     -1.539130
  C      -4.118605     -2.468822     -0.348272
  C      -4.692072     -2.078717      0.845187
  C      -5.560860     -0.960150      0.887517
  C      -4.305693      6.448941      6.138291
  C      -4.254827      7.729970      5.279324
  C      -4.491754      7.495341      3.788610
  C      -5.877237      7.034375      3.413416
  N      -6.863172      7.255232      4.269698
  C      -8.109694      6.847460      3.912786
  N      -8.473172      6.215475      2.817815
  C      -7.469338      5.940401      1.932786
  C      -7.766687      5.198408      0.763500
  C      -6.773752      4.915139     -0.151897
  C      -5.458119      5.391513      0.047703
  C      -5.141197      6.115757      1.180687
  C      -6.128264      6.377986      2.164643
  C      -5.849969      2.500906      7.697596
  C      -6.814273      3.649823      8.022873
  C      -8.274035      3.209389      8.281923
  C      -9.016680      2.844076      7.020714
  N      -8.554836      1.813182      6.319773
  C      -9.184787      1.502204      5.158961
  N     -10.258755      2.066818      4.643309
  C     -10.766808      3.120248      5.347743
  C     -11.908557      3.787899      4.839247
  C     -12.431882      4.875237      5.504093
  C     -11.837487      5.334299      6.702551
  C     -10.729205      4.698706      7.223248
  C     -10.165001      3.573472      6.567380
  H      -3.816155      1.032827      2.706151
  H      -5.228819      1.440834      3.696888
  H      -4.488650     -0.749659      5.069507
  H      -3.707643     -1.173050      3.533146
  H      -5.923000     -2.128920      3.428868
  H      -6.672254     -0.668589      4.113806
  H      -7.910742      2.008351      0.838780
  H      -5.467030     -0.108224     -2.438472
  H      -3.930989     -2.078663     -2.474382
  H      -3.452470     -3.332291     -0.378041
  H      -4.483443     -2.632470      1.761080
  H      -5.344162      6.092752      6.173057
  H      -4.038934      6.737825      7.178388
  H      -3.270786      8.213196      5.392302
  H      -5.004700      8.432444      5.672363
  H      -4.286394      8.426144      3.229434
  H      -3.755740      6.763406      3.425344
  H      -8.894368      7.086190      4.638566
  H      -8.792437      4.854523      0.624580
  H      -7.002279      4.321682     -1.038614
  H      -4.689887      5.182913     -0.698442
  H      -4.125948      6.490563      1.318480
  H      -5.773821      1.835146      8.580659
  H      -6.300496      1.900148      6.896583
  H      -6.448485      4.204166      8.902541
  H      -6.807323      4.355519      7.179367
  H      -8.293821      2.341171      8.961814
  H      -8.787733      4.027194      8.799845
  H      -8.734858      0.691910      4.578738
  H     -12.338958      3.418211      3.907845
  H     -13.306173      5.391544      5.104168
  H     -12.258997      6.198951      7.217397
  H     -10.285054      5.071745      8.145597
  N      -3.373897      3.982969      3.107775
  H      -2.447503      4.398290      2.982998
  H      -4.051729      4.645004      2.723414
  H      -3.413738      3.155124      2.507920
  N      -5.855115      3.738389      4.808322
  N      -6.936343      3.998181      4.505620
101
Coordinates from ORCA-job orca E -6314.501800961422
  N      -3.466195      1.616140      4.703251
  Mo     -4.049561      3.416695      5.428305
  N      -4.536263      2.948207      7.289279
  C      -3.456961      2.850150      8.262898
  C      -2.196274      2.370880      7.551611
  N      -2.001436      3.164265      6.304268
  C      -1.216345      2.418982      5.294216
  C      -2.054089      1.278989      4.681625
  C      -1.418812      4.501140      6.604152
  C      -2.050172      5.559426      5.697621
  N      -3.485893      5.357317      5.662998
  H      -1.700780      1.119140      3.635231
  H      -1.845409      0.321624      5.213114
  H      -0.935001      3.142545      4.514105
  H      -0.279959      2.029799      5.742375
  H      -1.782524      6.557989      6.086872
  H      -1.597078      5.501665      4.686140
  H      -1.673578      4.743460      7.644455
  H      -0.317067      4.465427      6.523416
  H      -3.698771      2.127612      9.062925
  H      -3.262690      3.819040      8.770513
  H      -2.338015      1.325227      7.249298
  H      -1.299211      2.437265      8.194671
  C      -4.269222      0.926533      3.719168
  C      -4.496304     -0.575350      3.978850
  C      -5.864299     -1.057386      3.434424
  C      -6.181605     -0.490001      2.075761
  N      -7.044000      0.517441      2.035139
  C      -7.266605      1.114201      0.832274
  N      -6.715297      0.820193     -0.327522
  C      -5.848654     -0.235361     -0.320357
  C      -5.232104     -0.627376     -1.532589
  C      -4.357251     -1.691864     -1.548821
  C      -4.065862     -2.406018     -0.361994
  C      -4.649968     -2.043035      0.833275
  C      -5.548188     -0.951065      0.882262
  C      -4.313581      6.451297      6.136147
  C      -4.263387      7.729031      5.273402
  C      -4.509044      7.490962      3.782281
  C      -5.900556      7.033074      3.414182
  N      -6.885373      7.267248      4.275669
  C      -8.139744      6.868493      3.924342
  N      -8.509397      6.222604      2.836466
  C      -7.505722      5.927896      1.948401
  C      -7.807566      5.163981      0.787439
  C      -6.817236      4.869637     -0.134962
  C      -5.498961      5.354642      0.049024
  C      -5.176422      6.095218      1.175000
  C      -6.160374      6.368262      2.167403
  C      -5.851483      2.498144      7.725463
  C      -6.820113      3.632989      8.082830
  C      -8.274975      3.167967      8.334447
  C      -9.003762      2.836053      7.060209
  N      -8.550456      1.794631      6.388268
  C      -9.156780      1.501603      5.212737
  N     -10.203104      2.097605      4.655499
  C     -10.703339      3.164281      5.329616
  C     -11.816097      3.858292      4.777715
  C     -12.332513      4.957840      5.412065
  C     -11.760148      5.400119      6.623096
  C     -10.679675      4.733436      7.187542
  C     -10.122977      3.598033      6.562460
  H      -3.830517      1.026664      2.697148
  H      -5.252148      1.415107      3.674730
  H      -4.473305     -0.754462      5.064615
  H      -3.683877     -1.167945      3.533544
  H      -5.885962     -2.157854      3.414643
  H      -6.661171     -0.716020      4.111302
  H      -7.978934      1.940925      0.847330
  H      -5.476134     -0.069218     -2.438091
  H      -3.887169     -1.992651     -2.485739
  H      -3.376628     -3.249124     -0.396311
  H      -4.425581     -2.598331      1.745434
  H      -5.353443      6.098041      6.175043
  H      -4.041886      6.741270      7.175013
  H      -3.275690      8.207674      5.380725
  H      -5.008638      8.435660      5.669589
  H      -4.304731      8.419161      3.218915
  H      -3.775136      6.757364      3.416968
  H      -8.924144      7.121617      4.649146
  H      -8.834264      4.812365      0.660680
  H      -7.048714      4.260247     -1.015278
  H      -4.732655      5.137211     -0.703091
  H      -4.158719      6.473257      1.300769
  H      -5.758529      1.823723      8.600852
  H      -6.311425      1.902713      6.926932
  H      -6.455869      4.164079      8.971670
  H      -6.822688      4.359619      7.258906
  H      -8.279389      2.272197      8.981246
  H      -8.803933      3.958412      8.881139
  H      -8.715018      0.668085      4.661656
  H     -12.230882      3.500914      3.837963
  H     -13.184369      5.495802      4.978239
  H     -12.176122      6.275399      7.113212
  H     -10.253087      5.093520      8.119605
  N      -3.400929      3.976483      3.111666
  H      -2.480115      4.396987      2.985543
  H      -4.082780      4.627909      2.725540
  H      -3.436473      3.142963      2.518317
  N      -5.867623      3.721982      4.800088
  N      -6.946259      3.964544      4.472152
101
Coordinates from ORCA-job orca E -6314.500828138903
  N      -3.508383      1.609104      4.693766
  Mo     -4.088318      3.402133      5.423828
  N      -4.567973      2.941591      7.290190
  C      -3.484485      2.846820      8.258627
  C      -2.230345      2.364248      7.550267
  N      -2.040488      3.152786      6.304018
  C      -1.258854      2.406596      5.294783
  C      -2.096919      1.263031      4.689961
  C      -1.458689      4.490400      6.598458
  C      -2.088788      5.542476      5.685326
  N      -3.524912      5.339379      5.647033
  H      -1.732693      1.086728      3.646915
  H      -1.897792      0.308697      5.235438
  H      -0.986882      3.127200      4.509198
  H      -0.318509      2.025883      5.740910
  H      -1.821483      6.542022      6.069315
  H      -1.633759      5.480171      4.677145
  H      -1.713405      4.736586      7.636778
  H      -0.356899      4.456078      6.518159
  H      -3.725953      2.133428      9.062572
  H      -3.283992      3.816757      8.758635
  H      -2.373417      1.319050      7.251305
  H      -1.331594      2.434576      8.189484
  C      -4.299808      0.902205      3.710125
  C      -4.491153     -0.595183      3.979350
  C      -5.853199     -1.095877      3.427312
  C      -6.182213     -0.514271      2.077822
  N      -7.087662      0.465327      2.057760
  C      -7.330036      1.075973      0.862596
  N      -6.759696      0.817654     -0.304854
  C      -5.850727     -0.210382     -0.317307
  C      -5.210399     -0.564506     -1.539185
  C      -4.291587     -1.601720     -1.575851
  C      -3.978126     -2.325614     -0.399518
  C      -4.584201     -1.999539      0.804485
  C      -5.527804     -0.936202      0.874103
  C      -4.355257      6.432576      6.120403
  C      -4.302112      7.713910      5.265696
  C      -4.538373      7.485437      3.769859
  C      -5.926324      7.027283      3.379790
  N      -6.931066      7.252574      4.227919
  C      -8.182948      6.854581      3.848980
  N      -8.527923      6.206064      2.752812
  C      -7.502110      5.918647      1.880705
  C      -7.774576      5.151797      0.711246
  C      -6.764373      4.878194     -0.199350
  C      -5.452017      5.380023      0.007096
  C      -5.156465      6.116575      1.142669
  C      -6.162513      6.372406      2.123172
  C      -5.880231      2.513949      7.755396
  C      -6.825315      3.652202      8.150130
  C      -8.276165      3.174745      8.415496
  C      -9.000526      2.856777      7.137491
  N      -8.567999      1.774160      6.477811
  C      -9.142634      1.452229      5.296123
  N     -10.142232      2.069425      4.720702
  C     -10.627221      3.179189      5.382164
  C     -11.696154      3.883395      4.813207
  C     -12.199364      5.022900      5.438230
  C     -11.655934      5.482479      6.658914
  C     -10.616603      4.799876      7.242602
  C     -10.076239      3.635585      6.623445
  H      -3.863666      1.001681      2.689266
  H      -5.286469      1.370957      3.653313
  H      -4.466862     -0.771312      5.064330
  H      -3.664375     -1.171213      3.542641
  H      -5.855473     -2.196803      3.392315
  H      -6.660569     -0.776066      4.107946
  H      -8.076638      1.878570      0.888021
  H      -5.472092      0.000347     -2.435702
  H      -3.803825     -1.873070     -2.519996
  H      -3.254106     -3.146772     -0.448779
  H      -4.340387     -2.562881      1.707209
  H      -5.394976      6.078456      6.151932
  H      -4.088052      6.715566      7.162251
  H      -3.314842      8.190253      5.381363
  H      -5.047627      8.418771      5.663439
  H      -4.330589      8.417105      3.213817
  H      -3.800282      6.756605      3.406117
  H      -8.987149      7.094660      4.553178
  H      -8.794137      4.781175      0.569008
  H      -6.972074      4.269098     -1.086260
  H      -4.667540      5.175476     -0.733375
  H      -4.142900      6.504270      1.284677
  H      -5.770099      1.837698      8.628750
  H      -6.366536      1.925664      6.966690
  H      -6.443099      4.163779      9.043990
  H      -6.835919      4.396249      7.337278
  H      -8.267572      2.263215      9.045320
  H      -8.812157      3.947796      8.979613
  H      -8.718646      0.563254      4.767904
  H     -12.092178      3.509255      3.867910
  H     -13.018264      5.571761      4.990272
  H     -12.061521      6.385658      7.140643
  H     -10.210173      5.173375      8.181929
  N      -3.443738      3.934136      3.109734
  H      -2.528003      4.354859      2.982715
  H      -4.124542      4.573894      2.718737
  H      -3.479727      3.092828      2.527389
  N      -5.891005      3.672253      4.745139
  N      -6.957542      3.892390      4.359371
101
Coordinates from ORCA-job orca E -6314.495368646938
  N      -3.487767      1.600018      4.712981
  Mo     -4.085425      3.388207      5.430633
  N      -4.552402      2.926376      7.296143
  C      -3.466997      2.848111      8.260500
  C      -2.209594      2.377128      7.549440
  N      -2.030976      3.165331      6.300593
  C      -1.250018      2.426413      5.289042
  C      -2.076745      1.272836      4.695654
  C      -1.460670      4.509173      6.588880
  C      -2.106742      5.552077      5.677985
  N      -3.539068      5.334246      5.648250
  H      -1.721851      1.096948      3.656211
  H      -1.859263      0.330779      5.238937
  H      -0.997413      3.147510      4.501791
  H      -0.304234      2.060324      5.725413
  H      -1.846654      6.555864      6.057160
  H      -1.655343      5.492239      4.666511
  H      -1.710253      4.754007      7.628539
  H      -0.360196      4.486516      6.500792
  H      -3.698369      2.134625      9.069384
  H      -3.274220      3.822274      8.754944
  H      -2.342643      1.329038      7.256028
  H      -1.310470      2.458813      8.184087
  C      -4.292937      0.885708      3.736475
  C      -4.486942     -0.615098      4.003633
  C      -5.854826     -1.092340      3.452549
  C      -6.174366     -0.513150      2.100693
  N      -7.061554      0.474345      2.066802
  C      -7.293958      1.076747      0.869191
  N      -6.734280      0.802314     -0.289472
  C      -5.844807     -0.232673     -0.287350
  C      -5.227202     -0.603501     -1.497883
  C      -4.341808     -1.647000     -1.518590
  C      -4.037296     -2.362808     -0.337688
  C      -4.619774     -2.020839      0.854414
  C      -5.532932     -0.950440      0.907774
  C      -4.377908      6.419850      6.122470
  C      -4.333255      7.708472      5.270090
  C      -4.568599      7.495089      3.775818
  C      -5.943449      7.032270      3.380298
  N      -6.935650      7.227405      4.213510
  C      -8.171681      6.813630      3.824890
  N      -8.506382      6.174072      2.735708
  C      -7.498280      5.928529      1.887018
  C      -7.773629      5.190585      0.736408
  C      -6.791305      4.968893     -0.151024
  C      -5.499662      5.493478      0.057678
  C      -5.198022      6.197758      1.176016
  C      -6.180063      6.403573      2.136758
  C      -5.858077      2.472514      7.753761
  C      -6.821298      3.609505      8.115234
  C      -8.276092      3.137421      8.357571
  C      -8.986665      2.798854      7.072379
  N      -8.577839      1.713234      6.393419
  C      -9.158037      1.423386      5.207314
  N     -10.140410      2.072392      4.643441
  C     -10.598662      3.174289      5.323796
  C     -11.650831      3.937197      4.764043
  C     -12.116221      5.066937      5.405982
  C     -11.555054      5.479306      6.631319
  C     -10.539427      4.765727      7.204296
  C     -10.037680      3.597605      6.570030
  H      -3.873335      0.988279      2.707529
  H      -5.276345      1.362371      3.700772
  H      -4.459182     -0.799428      5.087324
  H      -3.663063     -1.195112      3.562763
  H      -5.877466     -2.188225      3.424004
  H      -6.649309     -0.757283      4.126304
  H      -8.035325      1.889960      0.882277
  H      -5.482628     -0.045447     -2.399462
  H      -3.874481     -1.930623     -2.453818
  H      -3.339872     -3.189751     -0.374512
  H      -4.386583     -2.577040      1.761831
  H      -5.412716      6.056488      6.157448
  H      -4.114085      6.704838      7.163700
  H      -3.353042      8.192254      5.386431
  H      -5.079500      8.406969      5.670732
  H      -4.366945      8.437466      3.231146
  H      -3.829359      6.775209      3.405230
  H      -8.973976      7.035344      4.511749
  H      -8.777753      4.803082      0.592178
  H      -7.002520      4.386937     -1.023462
  H      -4.737866      5.332579     -0.668671
  H      -4.200417      6.604663      1.319006
  H      -5.747042      1.805692      8.631794
  H      -6.326547      1.867295      6.963609
  H      -6.457159      4.145350      9.014328
  H      -6.819738      4.340728      7.288132
  H      -8.287070      2.241270      9.003879
  H      -8.814976      3.925513      8.896794
  H      -8.760190      0.573211      4.663937
  H     -12.061487      3.605151      3.813064
  H     -12.919506      5.654650      4.965423
  H     -11.929517      6.375278      7.123764
  H     -10.113251      5.105654      8.145264
  N      -3.481488      3.929918      3.111345
  H      -2.573161      4.378166      2.960295
  H      -4.198519      4.557641      2.735943
  H      -3.507416      3.088422      2.528530
  N      -5.889879      3.631440      4.756432
  N      -6.962282      3.852529      4.400045
101
Coordinates from ORCA-job orca E -6314.500641150699
  N      -3.483935      1.611434      4.699638
  Mo     -4.077422      3.408901      5.438677
  N      -4.543437      2.933258      7.307428
  C      -3.454853      2.842903      8.276103
  C      -2.193073      2.368253      7.550887
  N      -2.015972      3.166611      6.298864
  C      -1.238956      2.422636      5.277085
  C      -2.074762      1.274562      4.688186
  C      -1.438413      4.508210      6.590313
  C      -2.083668      5.561696      5.683497
  N      -3.518929      5.353276      5.658352
  H      -1.720471      1.094869      3.654168
  H      -1.867216      0.334332      5.234425
  H      -0.984211      3.143507      4.487228
  H      -0.289892      2.045440      5.707912
  H      -1.818026      6.564847      6.066391
  H      -1.635494      5.502010      4.666578
  H      -1.685374      4.752089      7.634423
  H      -0.336669      4.477910      6.499100
  H      -3.685719      2.117737      9.083485
  H      -3.262713      3.815407      8.782579
  H      -2.331495      1.320182      7.248611
  H      -1.288289      2.437959      8.186248
  C      -4.293242      0.909758      3.729368
  C      -4.505181     -0.601580      3.992769
  C      -5.871995     -1.086532      3.450227
  C      -6.193262     -0.505178      2.099818
  N      -7.079896      0.489044      2.072931
  C      -7.299153      1.091524      0.878034
  N      -6.735290      0.817085     -0.286654
  C      -5.844221     -0.224991     -0.293628
  C      -5.214406     -0.596526     -1.510305
  C      -4.313775     -1.647521     -1.538785
  C      -4.011478     -2.368135     -0.359737
  C      -4.611369     -2.024521      0.839010
  C      -5.536773     -0.946925      0.900158
  C      -4.347150      6.444961      6.134210
  C      -4.293984      7.724959      5.271603
  C      -4.534561      7.493435      3.781275
  C      -5.921003      7.041024      3.406625
  N      -6.897000      7.275557      4.265261
  C      -8.146625      6.880636      3.912882
  N      -8.515431      6.228232      2.834043
  C      -7.520390      5.933604      1.951500
  C      -7.825467      5.163782      0.803757
  C      -6.846329      4.873519     -0.122199
  C      -5.537223      5.369823      0.047636
  C      -5.211069      6.115275      1.166155
  C      -6.184127      6.381844      2.161938
  C      -5.854448      2.489970      7.753286
  C      -6.824641      3.620753      8.117960
  C      -8.269144      3.120321      8.347897
  C      -8.977798      2.764567      7.061981
  N      -8.565271      1.695558      6.404429
  C      -9.171171      1.434173      5.216229
  N     -10.181079      2.092086      4.628476
  C     -10.637068      3.170884      5.291282
  C     -11.714431      3.936393      4.715820
  C     -12.178589      5.047444      5.341198
  C     -11.599714      5.461543      6.564199
  C     -10.559985      4.738686      7.153626
  C     -10.052307      3.574357      6.537240
  H      -3.866507      1.018553      2.698423
  H      -5.284586      1.393600      3.700468
  H      -4.480865     -0.783814      5.079368
  H      -3.684125     -1.188699      3.545254
  H      -5.889976     -2.187603      3.414406
  H      -6.667032     -0.755948      4.134092
  H      -8.028325      1.907854      0.901876
  H      -5.467185     -0.033945     -2.410049
  H      -3.832679     -1.932655     -2.479068
  H      -3.301104     -3.200911     -0.403144
  H      -4.380675     -2.584033      1.745210
  H      -5.386161      6.089719      6.171490
  H      -4.076965      6.733549      7.173011
  H      -3.306053      8.201151      5.380497
  H      -5.035968      8.433613      5.667118
  H      -4.327332      8.425257      3.224532
  H      -3.802002      6.760005      3.414290
  H      -8.934557      7.147245      4.624779
  H      -8.844401      4.800572      0.690627
  H      -7.079024      4.257811     -0.993823
  H      -4.780418      5.155418     -0.708869
  H      -4.199913      6.499356      1.283004
  H      -5.752027      1.814855      8.623998
  H      -6.322184      1.895908      6.957602
  H      -6.474943      4.148470      9.021856
  H      -6.826436      4.356929      7.301053
  H      -8.253306      2.222581      8.984811
  H      -8.828439      3.892084      8.892092
  H      -8.768179      0.598058      4.682997
  H     -12.137933      3.604519      3.766898
  H     -12.999290      5.632611      4.890202
  H     -11.976012      6.355618      7.043797
  H     -10.122512      5.078690      8.093544
  N      -3.463945      3.972774      3.113550
  H      -2.542831      4.419693      2.960396
  H      -4.187486      4.619795      2.740424
  H      -3.492651      3.139206      2.522907
  N      -5.891813      3.682883      4.798889
  N      -6.958294      3.915836      4.441554
101
Coordinates from ORCA-job orca E -6314.496451499351
  N      -3.484952      1.631738      4.693227
  Mo     -4.080247      3.426814      5.436246
  N      -4.557664      2.942135      7.300339
  C      -3.474097      2.847248      8.271040
  C      -2.211783      2.376033      7.555393
  N      -2.026597      3.178825      6.310863
  C      -1.243708      2.439845      5.291752
  C      -2.074795      1.295041      4.689911
  C      -1.451500      4.518712      6.612087
  C      -2.090333      5.575752      5.705253
  N      -3.524866      5.365983      5.669768
  H      -1.711696      1.119995      3.654756
  H      -1.870654      0.349037      5.234582
  H      -0.984951      3.166033      4.507364
  H      -0.298302      2.060761      5.726860
  H      -1.827856      6.577123      6.093449
  H      -1.635898      5.520579      4.692286
  H      -1.705132      4.758164      7.654598
  H      -0.349702      4.489705      6.527594
  H      -3.710014      2.123302      9.073868
  H      -3.283108      3.817814      8.778561
  H      -2.347493      1.329737      7.249367
  H      -1.313429      2.444628      8.196122
  C      -4.280421      0.930462      3.713330
  C      -4.485415     -0.575527      3.970561
  C      -5.841773     -1.072156      3.415926
  C      -6.169552     -0.512085      2.060061
  N      -7.047215      0.460372      2.022474
  C      -7.294301      1.053505      0.824026
  N      -6.763521      0.784794     -0.333705
  C      -5.880436     -0.236867     -0.329983
  C      -5.285606     -0.601466     -1.541436
  C      -4.397759     -1.633056     -1.562940
  C      -4.071959     -2.341126     -0.380725
  C      -4.635520     -2.004311      0.814090
  C      -5.546627     -0.946178      0.868141
  C      -4.357476      6.456363      6.145235
  C      -4.298830      7.736310      5.289586
  C      -4.531107      7.494987      3.798128
  C      -5.922975      7.041321      3.417500
  N      -6.922887      7.295321      4.276210
  C      -8.179248      6.902431      3.918076
  N      -8.536888      6.231991      2.833295
  C      -7.516600      5.911786      1.946029
  C      -7.803202      5.117180      0.786258
  C      -6.792717      4.803174     -0.142974
  C      -5.475517      5.301639      0.036198
  C      -5.168538      6.070125      1.165435
  C      -6.170148      6.359284      2.164142
  C      -5.865422      2.490466      7.756489
  C      -6.832765      3.616597      8.135616
  C      -8.281975      3.124690      8.376579
  C      -8.999579      2.787888      7.094104
  N      -8.594860      1.704397      6.444058
  C      -9.179956      1.405174      5.256810
  N     -10.160826      2.035606      4.666963
  C     -10.616807      3.151220      5.318384
  C     -11.662975      3.882800      4.733229
  C     -12.130461      5.040631      5.345362
  C     -11.572018      5.489851      6.568574
  C     -10.557899      4.783929      7.167590
  C     -10.054097      3.596826      6.562879
  H      -3.846731      1.041960      2.687575
  H      -5.271522      1.406443      3.674455
  H      -4.470779     -0.755145      5.056760
  H      -3.659072     -1.154496      3.532408
  H      -5.855499     -2.166081      3.390825
  H      -6.635598     -0.739836      4.090167
  H      -8.018977      1.852223      0.840339
  H      -5.557035     -0.048779     -2.443177
  H      -3.943346     -1.913129     -2.499789
  H      -3.372513     -3.158559     -0.419096
  H      -4.385590     -2.555191      1.722245
  H      -5.397312      6.101908      6.172708
  H      -4.094148      6.739380      7.187879
  H      -3.309733      8.211689      5.405894
  H      -5.042973      8.446892      5.680473
  H      -4.318722      8.418964      3.233533
  H      -3.795648      6.757172      3.443305
  H      -8.979233      7.177196      4.628112
  H      -8.829604      4.755561      0.665634
  H      -7.011399      4.171024     -1.022223
  H      -4.696224      5.073211     -0.719441
  H      -4.152060      6.456066      1.289542
  H      -5.751448      1.814331      8.626740
  H      -6.338131      1.896110      6.964083
  H      -6.474302      4.137390      9.037627
  H      -6.836357      4.357663      7.321440
  H      -8.275451      2.222576      9.012306
  H      -8.826375      3.899881      8.926658
  H      -8.777487      0.506549      4.732696
  H     -12.068505      3.516506      3.786414
  H     -12.930211      5.610947      4.885516
  H     -11.947091      6.404576      7.039310
  H     -10.136402      5.146769      8.106031
  N      -3.439939      3.987918      3.125994
  H      -2.530804      4.425357      2.997049
  H      -4.134806      4.624587      2.741659
  H      -3.460550      3.151952      2.536244
  N      -5.889277      3.701222      4.775355
  N      -6.953660      3.927369      4.393641
101
Coordinates from ORCA-job orca E -6314.497421453417
  N      -3.492776      1.607241      4.707304
  Mo     -4.091824      3.398144      5.430842
  N      -4.563936      2.924955      7.294212
  C      -3.479793      2.844225      8.258080
  C      -2.220155      2.377638      7.551188
  N      -2.037369      3.167699      6.305546
  C      -1.255308      2.428285      5.295486
  C      -2.080859      1.273558      4.704462
  C      -1.466576      4.509586      6.597300
  C      -2.108170      5.554244      5.686630
  N      -3.540781      5.339832      5.652532
  H      -1.715162      1.086692      3.665411
  H      -1.871517      0.331005      5.263112
  H      -1.002063      3.150094      4.507467
  H      -0.310230      2.060398      5.731955
  H      -1.848564      6.556771      6.067238
  H      -1.654765      5.494023      4.677814
  H      -1.720005      4.754410      7.634450
  H      -0.366129      4.485325      6.512739
  H      -3.712312      2.129693      9.062965
  H      -3.291723      3.817091      8.753920
  H      -2.351061      1.331170      7.256043
  H      -1.325214      2.457160      8.189372
  C      -4.295813      0.898857      3.731248
  C      -4.491518     -0.604173      3.991146
  C      -5.850661     -1.112185      3.434357
  C      -6.186586     -0.537016      2.082650
  N      -7.111610      0.445322      2.067589
  C      -7.372344      1.067106      0.876978
  N      -6.794371      0.813345     -0.294361
  C      -5.860458     -0.218185     -0.313814
  C      -5.212158     -0.566732     -1.541460
  C      -4.275431     -1.605176     -1.585751
  C      -3.953656     -2.336380     -0.413371
  C      -4.565187     -2.017242      0.796703
  C      -5.525136     -0.953203      0.874922
  C      -4.376058      6.429826      6.121698
  C      -4.318866      7.709274      5.263079
  C      -4.557264      7.477933      3.771295
  C      -5.946639      7.031367      3.386506
  N      -6.947807      7.267636      4.231400
  C      -8.200263      6.874000      3.857496
  N      -8.550362      6.217950      2.769610
  C      -7.531026      5.925154      1.901289
  C      -7.813113      5.161729      0.743393
  C      -6.808817      4.887085     -0.161729
  C      -5.497932      5.388611      0.039514
  C      -5.193111      6.121215      1.164284
  C      -6.190835      6.376089      2.139254
  C      -5.868017      2.472180      7.760898
  C      -6.827213      3.604945      8.143541
  C      -8.280032      3.131879      8.401819
  C      -9.005850      2.810433      7.126674
  N      -8.608221      1.701391      6.481514
  C      -9.182854      1.395362      5.298379
  N     -10.145478      2.038776      4.710379
  C     -10.598795      3.186034      5.355438
  C     -11.623263      3.926968      4.765622
  C     -12.084361      5.109791      5.373095
  C     -11.529095      5.552469      6.593485
  C     -10.534570      4.835503      7.193629
  C     -10.044059      3.635968      6.595082
  H      -3.871680      1.003067      2.706360
  H      -5.282014      1.374177      3.695687
  H      -4.473758     -0.788382      5.074557
  H      -3.660581     -1.175450      3.551807
  H      -5.847834     -2.218246      3.402589
  H      -6.659728     -0.792325      4.113300
  H      -8.133214      1.876523      0.913554
  H      -5.481693      0.002773     -2.434803
  H      -3.783688     -1.871471     -2.534096
  H      -3.220682     -3.157610     -0.469194
  H      -4.315724     -2.586429      1.696742
  H      -5.414627      6.072765      6.153573
  H      -4.112501      6.718232      7.162465
  H      -3.331535      8.184367      5.376995
  H      -5.060513      8.419892      5.656580
  H      -4.345152      8.409086      3.214507
  H      -3.826442      6.741173      3.408302
  H      -9.001659      7.134711      4.550677
  H      -8.834599      4.796335      0.605620
  H      -7.023804      4.282613     -1.038374
  H      -4.722935      5.190030     -0.696737
  H      -4.180793      6.510256      1.303595
  H      -5.750937      1.800038      8.636499
  H      -6.343840      1.872375      6.972378
  H      -6.456707      4.124134      9.040409
  H      -6.831945      4.344479      7.326495
  H      -8.280117      2.231580      9.041398
  H      -8.812322      3.913573      8.954367
  H      -8.782180      0.478391      4.777434
  H     -12.025203      3.562586      3.822154
  H     -12.869738      5.690837      4.909943
  H     -11.895221      6.479731      7.059150
  H     -10.111974      5.192322      8.127599
  N      -3.465120      3.944115      3.121952
  H      -2.569243      4.381510      2.990909
  H      -4.147570      4.562455      2.735979
  H      -3.484784      3.102031      2.540982
  N      -5.904059      3.651042      4.755302
  N      -6.977930      3.863095      4.365550
101
Coordinates from ORCA-job orca E -6314.499998055639
  N      -3.491201      1.602209      4.709344
  Mo     -4.089723      3.394191      5.444113
  N      -4.548598      2.917530      7.312697
  C      -3.456457      2.836772      8.276316
  C      -2.194965      2.371658      7.550946
  N      -2.024982      3.166514      6.298983
  C      -1.247756      2.424476      5.278419
  C      -2.080074      1.267887      4.696738
  C      -1.454624      4.512128      6.583806
  C      -2.106866      5.557302      5.674770
  N      -3.541490      5.342515      5.654021
  H      -1.723631      1.082456      3.659461
  H      -1.869136      0.328022      5.250531
  H      -1.001388      3.144951      4.485661
  H      -0.294828      2.055235      5.706541
  H      -1.845241      6.562467      6.052489
  H      -1.661472      5.495194      4.658905
  H      -1.700098      4.759090      7.626137
  H      -0.353133      4.488149      6.489743
  H      -3.679610      2.114621      9.084369
  H      -3.268990      3.811113      8.778734
  H      -2.326894      1.323123      7.251584
  H      -1.290097      2.449474      8.183789
  C      -4.302242      0.896660      3.743274
  C      -4.503783     -0.610258      4.001933
  C      -5.866063     -1.097847      3.455755
  C      -6.182751     -0.510816      2.109457
  N      -7.070780      0.481586      2.092317
  C      -7.290058      1.091926      0.903513
  N      -6.715931      0.824382     -0.267895
  C      -5.824350     -0.215872     -0.284847
  C      -5.184793     -0.579055     -1.507871
  C      -4.283304     -1.627325     -1.544382
  C      -3.989567     -2.351640     -0.371464
  C      -4.598352     -2.016716      0.833750
  C      -5.524048     -0.942135      0.903581
  C      -4.373243      6.433973      6.125765
  C      -4.328852      7.713858      5.258492
  C      -4.572833      7.488043      3.765637
  C      -5.956655      7.035210      3.389988
  N      -6.925888      7.264627      4.237581
  C      -8.171212      6.866584      3.881513
  N      -8.540562      6.215684      2.811155
  C      -7.551126      5.928781      1.942995
  C      -7.854491      5.162054      0.808354
  C      -6.884694      4.879001     -0.101283
  C      -5.580489      5.378892      0.068877
  C      -5.254471      6.120112      1.173692
  C      -6.219875      6.380423      2.155678
  C      -5.855489      2.464736      7.760197
  C      -6.827567      3.591393      8.137371
  C      -8.272622      3.091450      8.360257
  C      -8.972661      2.766950      7.065970
  N      -8.571989      1.687855      6.408583
  C      -9.159742      1.436622      5.209246
  N     -10.139229      2.122425      4.611731
  C     -10.582451      3.217773      5.276200
  C     -11.624809      4.002952      4.691733
  C     -12.069262      5.121520      5.317683
  C     -11.507415      5.519388      6.551102
  C     -10.499373      4.764502      7.151008
  C     -10.013380      3.598872      6.532532
  H      -3.883234      1.005261      2.711863
  H      -5.291818      1.375525      3.719603
  H      -4.476165     -0.796208      5.086321
  H      -3.683117     -1.189875      3.550406
  H      -5.881933     -2.197370      3.415557
  H      -6.662703     -0.772264      4.138736
  H      -8.015207      1.907393      0.933584
  H      -5.431160     -0.013368     -2.402893
  H      -3.797552     -1.903708     -2.488584
  H      -3.280175     -3.181006     -0.419057
  H      -4.371945     -2.580224      1.735587
  H      -5.410634      6.074055      6.166488
  H      -4.102079      6.727732      7.163231
  H      -3.342581      8.193741      5.364442
  H      -5.073362      8.418388      5.657192
  H      -4.368094      8.424694      3.213444
  H      -3.840840      6.758032      3.392321
  H      -8.956488      7.129576      4.585894
  H      -8.871091      4.795920      0.694126
  H      -7.114965      4.263916     -0.964955
  H      -4.827854      5.167061     -0.680421
  H      -4.245142      6.506341      1.290374
  H      -5.748621      1.786162      8.628695
  H      -6.321712      1.871362      6.962251
  H      -6.478248      4.105344      9.047070
  H      -6.827564      4.338392      7.330413
  H      -8.260908      2.184881      8.984834
  H      -8.832446      3.856915      8.913598
  H      -8.770410      0.581713      4.678677
  H     -12.036029      3.681814      3.734294
  H     -12.862493      5.724671      4.858815
  H     -11.868959      6.425068      7.032335
  H     -10.072365      5.091382      8.099853
  N      -3.487219      3.950700      3.125496
  H      -2.570063      4.405833      2.968281
  H      -4.213740      4.590098      2.751304
  H      -3.510042      3.112207      2.542314
  N      -5.903435      3.651618      4.803473
  N      -6.969118      3.868104      4.439515
101
Coordinates from ORCA-job orca E -6314.498987552088
  N      -3.473621      1.632842      4.696257
  Mo     -4.083051      3.423711      5.438077
  N      -4.553314      2.925773      7.302102
  C      -3.467782      2.842967      8.271600
  C      -2.201076      2.384632      7.554176
  N      -2.024151      3.190449      6.308227
  C      -1.239546      2.457438      5.284869
  C      -2.063606      1.303640      4.693042
  C      -1.457318      4.534014      6.609101
  C      -2.107412      5.586907      5.704542
  N      -3.540390      5.365124      5.673684
  H      -1.700496      1.118690      3.662001
  H      -1.854934      0.367126      5.247931
  H      -0.995235      3.186104      4.497346
  H      -0.286412      2.088513      5.713303
  H      -1.851981      6.591058      6.091195
  H      -1.654304      5.535673      4.689413
  H      -1.710037      4.770602      7.653776
  H      -0.355486      4.513660      6.520410
  H      -3.696326      2.118871      9.077962
  H      -3.285781      3.817290      8.774576
  H      -2.326288      1.336306      7.249933
  H      -1.303177      2.463538      8.194046
  C      -4.273443      0.927160      3.723364
  C      -4.462763     -0.582076      3.990920
  C      -5.826470     -1.089598      3.446651
  C      -6.189474     -0.525446      2.094075
  N      -7.095758      0.441889      2.059078
  C      -7.376413      1.033271      0.864052
  N      -6.863974      0.770221     -0.293249
  C      -5.951594     -0.244291     -0.291030
  C      -5.369861     -0.602812     -1.500283
  C      -4.452891     -1.628611     -1.525867
  C      -4.080726     -2.338653     -0.348899
  C      -4.629730     -2.007130      0.844045
  C      -5.572623     -0.953759      0.902036
  C      -4.382951      6.446364      6.153221
  C      -4.327595      7.732463      5.305301
  C      -4.554203      7.498094      3.811916
  C      -5.939042      7.039661      3.417981
  N      -6.942951      7.282003      4.261657
  C      -8.188334      6.879259      3.886306
  N      -8.529533      6.206300      2.801728
  C      -7.506968      5.908069      1.928908
  C      -7.783141      5.134216      0.764963
  C      -6.778849      4.863725     -0.156147
  C      -5.471066      5.373950      0.035748
  C      -5.170236      6.114184      1.172422
  C      -6.172156      6.370013      2.161722
  C      -5.859116      2.464961      7.752494
  C      -6.833757      3.579222      8.144304
  C      -8.275042      3.060513      8.375332
  C      -8.974987      2.739283      7.079631
  N      -8.579431      1.661136      6.437314
  C      -9.155488      1.386904      5.235200
  N     -10.120654      2.046736      4.625569
  C     -10.560019      3.153486      5.272814
  C     -11.594418      3.940533      4.668311
  C     -12.044681      5.098845      5.272101
  C     -11.496689      5.499285      6.511482
  C     -10.497252      4.752517      7.132405
  C     -10.005776      3.565460      6.530767
  H      -3.851742      1.041022      2.692318
  H      -5.271155      1.398006      3.691898
  H      -4.444124     -0.756995      5.078275
  H      -3.628342     -1.159313      3.559509
  H      -5.830605     -2.189578      3.426832
  H      -6.621637     -0.763678      4.128926
  H      -8.145271      1.831199      0.882311
  H      -5.675753     -0.047785     -2.399094
  H      -4.002143     -1.904551     -2.462836
  H      -3.349681     -3.154684     -0.391813
  H      -4.343009     -2.559927      1.748495
  H      -5.419314      6.082496      6.174161
  H      -4.126893      6.725787      7.198435
  H      -3.341023      8.211699      5.424290
  H      -5.073895      8.438004      5.700423
  H      -4.341658      8.426365      3.253477
  H      -3.815988      6.763781      3.457109
  H      -8.996582      7.144239      4.583090
  H      -8.803167      4.763630      0.633532
  H      -6.993404      4.256116     -1.041809
  H      -4.695525      5.181073     -0.717027
  H      -4.161661      6.513131      1.305995
  H      -5.739713      1.782191      8.616677
  H      -6.328311      1.876232      6.953365
  H      -6.480440      4.092943      9.055252
  H      -6.843403      4.333348      7.339545
  H      -8.259240      2.150201      8.997718
  H      -8.835212      3.820179      8.934009
  H      -8.772489      0.514003      4.720638
  H     -11.995005      3.610933      3.708848
  H     -12.832403      5.712299      4.795548
  H     -11.860685      6.408293      6.978345
  H     -10.082508      5.088126      8.084021
  N      -3.453173      3.987802      3.131859
  H      -2.540205      4.439808      2.997557
  H      -4.169950      4.627568      2.747833
  H      -3.466051      3.150925      2.543487
  N      -5.893999      3.676878      4.769723
  N      -6.952023      3.879476      4.374918
101
Coordinates from ORCA-job orca E -6314.499132435491
  N      -3.509180      1.614716      4.702974
  Mo     -4.105081      3.408035      5.433907
  N      -4.570231      2.927387      7.299922
  C      -3.481472      2.847298      8.263725
  C      -2.222006      2.379278      7.548877
  N      -2.044679      3.170752      6.300349
  C      -1.268804      2.428506      5.282163
  C      -2.100809      1.273748      4.699569
  C      -1.469494      4.512335      6.590379
  C      -2.114934      5.559920      5.681483
  N      -3.549665      5.347808      5.654215
  H      -1.737984      1.078307      3.665448
  H      -1.897068      0.336607      5.262892
  H      -1.023048      3.148740      4.490529
  H      -0.318407      2.060788      5.711018
  H      -1.851483      6.563393      6.060409
  H      -1.666097      5.498091      4.668569
  H      -1.717842      4.757955      7.630970
  H      -0.368267      4.486043      6.499993
  H      -3.710630      2.131743      9.072310
  H      -3.292054      3.822390      8.759592
  H      -2.354006      1.331242      7.253086
  H      -1.322095      2.458779      8.185195
  C      -4.312908      0.906192      3.730819
  C      -4.510297     -0.594483      3.991961
  C      -5.861585     -1.096912      3.429174
  C      -6.182870     -0.517721      2.080858
  N      -7.070339      0.445948      2.068199
  C      -7.290292      1.059694      0.880649
  N      -6.710659      0.817160     -0.290531
  C      -5.817190     -0.195805     -0.311158
  C      -5.166986     -0.533540     -1.536403
  C      -4.271012     -1.554374     -1.582068
  C      -3.981643     -2.281943     -0.412832
  C      -4.595148     -1.972094      0.795053
  C      -5.519695     -0.924315      0.873957
  C      -4.382050      6.441513      6.123474
  C      -4.321315      7.715710      5.259631
  C      -4.563957      7.467064      3.772460
  C      -5.959739      7.023187      3.398869
  N      -6.961462      7.291545      4.252357
  C      -8.220956      6.902911      3.895315
  N      -8.578556      6.219056      2.818937
  C      -7.560159      5.892043      1.937407
  C      -7.852398      5.099480      0.784891
  C      -6.849447      4.796249     -0.140387
  C      -5.532431      5.295863      0.036614
  C      -5.216904      6.054256      1.159826
  C      -6.212824      6.339230      2.153764
  C      -5.871475      2.471592      7.771182
  C      -6.834776      3.594594      8.163506
  C      -8.283492      3.099001      8.413886
  C      -8.999362      2.776842      7.127932
  N      -8.620448      1.654626      6.486806
  C      -9.191519      1.373610      5.290317
  N     -10.133945      2.051153      4.684798
  C     -10.562044      3.193373      5.327786
  C     -11.563773      3.966061      4.723378
  C     -11.996529      5.139414      5.326817
  C     -11.448582      5.564378      6.560324
  C     -10.481520      4.836417      7.175740
  C     -10.011667      3.625682      6.580618
  H      -3.891390      1.011522      2.702547
  H      -5.298344      1.380310      3.696945
  H      -4.498826     -0.774617      5.077405
  H      -3.679847     -1.167776      3.559199
  H      -5.866625     -2.194312      3.389786
  H      -6.665439     -0.776607      4.107929
  H      -8.022204      1.854518      0.918273
  H      -5.411540      0.035016     -2.427332
  H      -3.775358     -1.814141     -2.528820
  H      -3.273885     -3.092044     -0.470103
  H      -4.370068     -2.539080      1.692523
  H      -5.421759      6.087402      6.154990
  H      -4.117758      6.731627      7.163565
  H      -3.331159      8.186846      5.367250
  H      -5.058209      8.433166      5.649292
  H      -4.347793      8.386709      3.201659
  H      -3.837463      6.721411      3.420613
  H      -9.021316      7.191428      4.593607
  H      -8.878510      4.739170      0.665465
  H      -7.074640      4.173346     -1.013530
  H      -4.761561      5.080046     -0.715299
  H      -4.201359      6.441993      1.281361
  H      -5.747065      1.795592      8.641051
  H      -6.350165      1.875802      6.982134
  H      -6.468893      4.111394      9.067665
  H      -6.842956      4.340450      7.351010
  H      -8.275099      2.192947      9.045325
  H      -8.825467      3.871375      8.970637
  H      -8.815469      0.469382      4.773506
  H     -11.963261      3.621141      3.769056
  H     -12.760742      5.737432      4.852135
  H     -11.796407      6.488342      7.022782
  H     -10.064934      5.183817      8.119712
  N      -3.485143      3.953648      3.125085
  H      -2.584397      4.395592      2.989891
  H      -4.178744      4.577004      2.739605
  H      -3.504858      3.111427      2.543031
  N      -5.914463      3.662713      4.763735
  N      -6.978759      3.873015      4.366568
101
Coordinates from ORCA-job orca E -6314.498796515634
  N      -3.486604      1.598303      4.716394
  Mo     -4.095876      3.388504      5.444728
  N      -4.555952      2.909043      7.311125
  C      -3.466378      2.839249      8.274134
  C      -2.201618      2.379877      7.556025
  N      -2.032407      3.171913      6.305109
  C      -1.251604      2.433569      5.288149
  C      -2.074156      1.268482      4.713460
  C      -1.469457      4.519915      6.587969
  C      -2.124553      5.559853      5.677240
  N      -3.556859      5.339119      5.654451
  H      -1.710020      1.071913      3.678210
  H      -1.861600      0.334647      5.281647
  H      -1.014391      3.154386      4.493052
  H      -0.295823      2.073479      5.714262
  H      -1.868428      6.566123      6.053034
  H      -1.677492      5.497922      4.663598
  H      -1.717545      4.766903      7.627558
  H      -0.368767      4.500784      6.495170
  H      -3.686645      2.121148      9.084281
  H      -3.285277      3.816741      8.770055
  H      -2.324768      1.330528      7.260324
  H      -1.301182      2.465232      8.191069
  C      -4.299910      0.887891      3.753052
  C      -4.496083     -0.623427      4.008095
  C      -5.856061     -1.124398      3.465038
  C      -6.183110     -0.528757      2.122808
  N      -7.104426      0.464760      2.124179
  C      -7.358303      1.092322      0.939955
  N      -6.781900      0.836528     -0.245461
  C      -5.855160     -0.205719     -0.281130
  C      -5.218056     -0.555193     -1.519728
  C      -4.286136     -1.602785     -1.570735
  C      -3.960930     -2.337667     -0.402505
  C      -4.567511     -2.015932      0.817618
  C      -5.520531     -0.944850      0.903291
  C      -4.393925      6.427281      6.122795
  C      -4.346905      7.709406      5.258641
  C      -4.584488      7.487959      3.764040
  C      -5.968716      7.039221      3.382466
  N      -6.946974      7.272728      4.223855
  C      -8.194049      6.876088      3.861185
  N      -8.556024      6.219718      2.790521
  C      -7.558718      5.932356      1.928666
  C      -7.855647      5.167748      0.790711
  C      -6.879013      4.892923     -0.115161
  C      -5.575385      5.396864      0.065441
  C      -5.255793      6.132480      1.173699
  C      -6.226812      6.386598      2.149179
  C      -5.859204      2.452903      7.762312
  C      -6.831573      3.579113      8.146274
  C      -8.275346      3.078085      8.372971
  C      -8.978582      2.755584      7.082379
  N      -8.600455      1.646291      6.436357
  C      -9.180877      1.389443      5.240638
  N     -10.127382      2.085021      4.635603
  C     -10.552915      3.212117      5.282741
  C     -11.553932      3.994129      4.682539
  C     -11.976685      5.149784      5.290895
  C     -11.421337      5.567516      6.522780
  C     -10.450867      4.804151      7.135178
  C      -9.991088      3.609496      6.535423
  H      -3.884720      0.997818      2.720730
  H      -5.290650      1.365733      3.735720
  H      -4.469913     -0.810961      5.091916
  H      -3.669233     -1.197444      3.558559
  H      -5.861846     -2.226019      3.424308
  H      -6.656498     -0.809381      4.151764
  H      -8.089087      1.901334      0.981545
  H      -5.491869      0.019201     -2.408485
  H      -3.807334     -1.867015     -2.521308
  H      -3.238311     -3.160354     -0.458179
  H      -4.317706     -2.588225      1.713651
  H      -5.430704      6.064730      6.154788
  H      -4.130557      6.718418      7.162832
  H      -3.360987      8.188104      5.369985
  H      -5.092614      8.413650      5.654980
  H      -4.374674      8.425931      3.214660
  H      -3.853044      6.756113      3.391410
  H      -8.983753      7.146717      4.554291
  H      -8.871365      4.799974      0.669262
  H      -7.103486      4.281649     -0.982373
  H      -4.819182      5.193159     -0.679781
  H      -4.247711      6.521766      1.297935
  H      -5.748456      1.773327      8.629954
  H      -6.325934      1.858795      6.965222
  H      -6.481050      4.087438      9.055268
  H      -6.834104      4.327892      7.343210
  H      -8.257536      2.170002      8.994735
  H      -8.836002      3.840528      8.928931
  H      -8.803219      0.492672      4.718308
  H     -11.960558      3.660755      3.727619
  H     -12.739748      5.755724      4.818857
  H     -11.765940      6.506300      6.987824
  H     -10.024467      5.138648      8.079009
  N      -3.489800      3.944637      3.131923
  H      -2.586850      4.400448      2.979147
  H      -4.201853      4.567629      2.755706
  H      -3.502705      3.104739      2.550648
  N      -5.911108      3.630723      4.790122
  N      -6.986380      3.832958      4.399406
101
Coordinates from ORCA-job orca E -6314.502245061758
  N      -3.500125      1.623018      4.699146
  Mo     -4.105391      3.409624      5.448310
  N      -4.555781      2.912484      7.314324
  C      -3.461889      2.838226      8.275817
  C      -2.198772      2.383730      7.549448
  N      -2.035986      3.183312      6.300079
  C      -1.260410      2.448978      5.271412
  C      -2.089609      1.290404      4.691011
  C      -1.470225      4.528503      6.592673
  C      -2.130887      5.575851      5.690636
  N      -3.564668      5.352609      5.671449
  H      -1.728952      1.098412      3.657509
  H      -1.880014      0.354601      5.251188
  H      -1.026536      3.174016      4.478964
  H      -0.301140      2.086316      5.691943
  H      -1.873528      6.580945      6.072014
  H      -1.687710      5.521444      4.672946
  H      -1.714843      4.768289      7.637795
  H      -0.368872      4.511212      6.495979
  H      -3.679815      2.115966      9.084096
  H      -3.279941      3.813512      8.777041
  H      -2.322876      1.335117      7.248892
  H      -1.295012      2.469095      8.181610
  C      -4.303123      0.915051      3.733123
  C      -4.482262     -0.586533      3.997562
  C      -5.834369     -1.097296      3.441189
  C      -6.190949     -0.533797      2.093057
  N      -7.107209      0.426996      2.064184
  C      -7.363710      1.024330      0.875918
  N      -6.812409      0.769267     -0.283503
  C      -5.888496     -0.238040     -0.289781
  C      -5.252722     -0.584970     -1.503421
  C      -4.315708     -1.603566     -1.536290
  C      -3.991482     -2.311953     -0.363525
  C      -4.590630     -1.991547      0.832487
  C      -5.545678     -0.948275      0.897876
  C      -4.404284      6.439011      6.143917
  C      -4.355902      7.716745      5.279589
  C      -4.598753      7.477861      3.788833
  C      -5.986504      7.029508      3.410658
  N      -6.971875      7.286289      4.252367
  C      -8.219341      6.889749      3.892664
  N      -8.578572      6.209696      2.829294
  C      -7.574115      5.899399      1.961979
  C      -7.866963      5.115005      0.823904
  C      -6.882374      4.827756     -0.092855
  C      -5.575589      5.334373      0.077027
  C      -5.257637      6.083530      1.189105
  C      -6.238799      6.353952      2.175071
  C      -5.855458      2.438992      7.767987
  C      -6.836971      3.546796      8.170596
  C      -8.275692      3.016591      8.387906
  C      -8.963104      2.717970      7.082883
  N      -8.590358      1.635036      6.443025
  C      -9.148280      1.387335      5.229604
  N     -10.071746      2.085315      4.604213
  C     -10.490896      3.214943      5.247423
  C     -11.481129      4.066002      4.623376
  C     -11.904931      5.246217      5.225023
  C     -11.375267      5.607900      6.481156
  C     -10.415946      4.793965      7.119994
  C      -9.953098      3.589488      6.519481
  H      -3.893743      1.029714      2.699193
  H      -5.296860      1.380115      3.709505
  H      -4.463875     -0.757914      5.083212
  H      -3.649400     -1.158012      3.567107
  H      -5.832518     -2.194983      3.406740
  H      -6.630389     -0.781609      4.121319
  H      -8.147659      1.815756      0.898990
  H      -5.519926     -0.032739     -2.397613
  H      -3.820332     -1.867822     -2.475046
  H      -3.249880     -3.118196     -0.409902
  H      -4.336698     -2.541594      1.733603
  H      -5.440777      6.074859      6.177449
  H      -4.140176      6.730665      7.183729
  H      -3.367887      8.193268      5.385142
  H      -5.096600      8.426635      5.676313
  H      -4.386543      8.403762      3.224829
  H      -3.869162      6.738924      3.430415
  H      -9.014971      7.170703      4.588548
  H      -8.886885      4.747554      0.709178
  H      -7.108081      4.209831     -0.960997
  H      -4.814629      5.128269     -0.677313
  H      -4.247826      6.476930      1.305679
  H      -5.728385      1.750546      8.627869
  H      -6.323876      1.850526      6.966421
  H      -6.488002      4.049653      9.088459
  H      -6.848438      4.311860      7.374883
  H      -8.255723      2.096144      8.995391
  H      -8.845647      3.763095      8.954327
  H      -8.786055      0.501566      4.718047
  H     -11.867582      3.761484      3.651930
  H     -12.657012      5.903472      4.733387
  H     -11.717687      6.524770      6.948396
  H     -10.010724      5.096990      8.083457
  N      -3.502683      3.968358      3.139299
  H      -2.594853      4.426711      2.993007
  H      -4.225953      4.597628      2.761436
  H      -3.518154      3.129363      2.555055
  N      -5.913715      3.654453      4.796026
  N      -6.974544      3.858031      4.416902
101
Coordinates from ORCA-job orca E -6314.498186782287
  N      -3.494625      1.633858      4.705827
  Mo     -4.100418      3.421565      5.448218
  N      -4.563203      2.924606      7.310703
  C      -3.476036      2.848585      8.276409
  C      -2.211708      2.392035      7.559550
  N      -2.038933      3.191485      6.312958
  C      -1.260508      2.457531      5.290203
  C      -2.085383      1.298909      4.708642
  C      -1.471852      4.535667      6.609486
  C      -2.122552      5.585013      5.705483
  N      -3.555726      5.364868      5.677051
  H      -1.718222      1.101575      3.679672
  H      -1.880485      0.367124      5.275459
  H      -1.023816      3.182402      4.500381
  H      -0.306295      2.095333      5.713494
  H      -1.864339      6.589089      6.089347
  H      -1.672455      5.530579      4.691119
  H      -1.722618      4.774794      7.651943
  H      -0.370704      4.516393      6.519712
  H      -3.700612      2.126463      9.083182
  H      -3.294754      3.823765      8.777088
  H      -2.336360      1.343174      7.259299
  H      -1.313356      2.475252      8.196840
  C      -4.296509      0.922654      3.734872
  C      -4.477380     -0.586403      3.998828
  C      -5.833434     -1.107435      3.447177
  C      -6.197535     -0.537597      2.097524
  N      -7.111842      0.417357      2.077311
  C      -7.382627      1.021875      0.887215
  N      -6.847565      0.781324     -0.277894
  C      -5.932194     -0.219878     -0.292433
  C      -5.334774     -0.552438     -1.511567
  C      -4.411841     -1.564606     -1.556508
  C      -4.047281     -2.287715     -0.385900
  C      -4.610519     -1.981836      0.816172
  C      -5.564183     -0.941976      0.893939
  C      -4.395251      6.452934      6.146518
  C      -4.337975      7.731621      5.288087
  C      -4.575767      7.488265      3.798811
  C      -5.969161      7.041887      3.420944
  N      -6.968157      7.311660      4.269754
  C      -8.223544      6.918764      3.910872
  N      -8.578442      6.226889      2.839841
  C      -7.562370      5.899965      1.962846
  C      -7.852452      5.099355      0.816355
  C      -6.851381      4.793130     -0.107853
  C      -5.537283      5.299181      0.062907
  C      -5.223933      6.066856      1.182764
  C      -6.219050      6.352967      2.176842
  C      -5.863607      2.455084      7.768105
  C      -6.839991      3.563863      8.167804
  C      -8.284137      3.045630      8.386361
  C      -8.973062      2.740204      7.081714
  N      -8.607337      1.623194      6.455796
  C      -9.161959      1.369301      5.240600
  N     -10.077337      2.079423      4.603481
  C     -10.484723      3.203657      5.234817
  C     -11.452978      3.984565      4.606245
  C     -11.860256      5.115744      5.198411
  C     -11.332790      5.522529      6.446955
  C     -10.397996      4.787097      7.089497
  C      -9.949898      3.602189      6.504583
  H      -3.883554      1.036632      2.701678
  H      -5.290727      1.391134      3.710729
  H      -4.460994     -0.765516      5.086120
  H      -3.636473     -1.153469      3.563767
  H      -5.821529     -2.213191      3.413028
  H      -6.638439     -0.796551      4.135909
  H      -8.136013      1.809151      0.922105
  H      -5.632557      0.010813     -2.405875
  H      -3.952698     -1.820144     -2.501924
  H      -3.312170     -3.093373     -0.446086
  H      -4.332734     -2.543111      1.716384
  H      -5.432807      6.092195      6.172811
  H      -4.137001      6.741667      7.188443
  H      -3.349241      8.207228      5.399524
  H      -5.079172      8.443863      5.680314
  H      -4.360536      8.411189      3.232566
  H      -3.846148      6.745481      3.444847
  H      -9.025952      7.212629      4.604680
  H      -8.877291      4.734748      0.700815
  H      -7.074469      4.162458     -0.977876
  H      -4.767132      5.080978     -0.692195
  H      -4.209955      6.459056      1.300856
  H      -5.739148      1.769041      8.628092
  H      -6.333178      1.866517      6.969086
  H      -6.492577      4.067345      9.086031
  H      -6.844029      4.323202      7.370175
  H      -8.271532      2.127828      8.996823
  H      -8.846750      3.799852      8.949982
  H      -8.804694      0.470685      4.738900
  H     -11.838162      3.655560      3.639381
  H     -12.597284      5.718561      4.704558
  H     -11.665760      6.434907      6.901062
  H      -9.995655      5.121239      8.047044
  N      -3.488941      3.984137      3.143807
  H      -2.585652      4.441068      3.003972
  H      -4.205249      4.610928      2.762911
  H      -3.500983      3.144715      2.558117
  N      -5.910313      3.668227      4.777842
  N      -6.968187      3.866503      4.379488
101
Coordinates from ORCA-job orca E -6314.499486421863
  N      -3.492310      1.611617      4.714676
  Mo     -4.103965      3.398293      5.448994
  N      -4.563753      2.911136      7.313778
  C      -3.475418      2.844573      8.276232
  C      -2.209528      2.389608      7.560259
  N      -2.040536      3.181985      6.309696
  C      -1.260851      2.446162      5.292429
  C      -2.081179      1.280364      4.720346
  C      -1.479322      4.529697      6.595681
  C      -2.133666      5.570729      5.687639
  N      -3.565450      5.347556      5.662531
  H      -1.713103      1.077161      3.689454
  H      -1.871853      0.351173      5.295230
  H      -1.026758      3.167765      4.497476
  H      -0.305261      2.088308      5.715888
  H      -1.879116      6.576335      6.065879
  H      -1.684895      5.511732      4.674257
  H      -1.730177      4.773590      7.634800
  H      -0.378773      4.513469      6.504832
  H      -3.695145      2.124897      9.086031
  H      -3.297977      3.821740      8.771939
  H      -2.330152      1.339625      7.265994
  H      -1.311044      2.477637      8.195652
  C      -4.301906      0.893909      3.748989
  C      -4.487164     -0.623875      4.005424
  C      -5.840073     -1.138508      3.455248
  C      -6.167315     -0.542835      2.113418
  N      -7.073428      0.428735      2.123439
  C      -7.321009      1.063032      0.940998
  N      -6.754189      0.834433     -0.246472
  C      -5.843877     -0.186781     -0.291333
  C      -5.228732     -0.507128     -1.531505
  C      -4.323844     -1.531732     -1.597099
  C      -3.985678     -2.282534     -0.434827
  C      -4.569031     -1.988919      0.788433
  C      -5.509400     -0.936359      0.888401
  C      -4.402982      6.438795      6.124715
  C      -4.346916      7.714729      5.257856
  C      -4.587632      7.476372      3.768374
  C      -5.982498      7.035365      3.395896
  N      -6.974824      7.302422      4.244778
  C      -8.233065      6.912101      3.891189
  N      -8.594895      6.224634      2.822287
  C      -7.587244      5.901741      1.948977
  C      -7.886885      5.104989      0.810870
  C      -6.895871      4.800351     -0.105407
  C      -5.582380      5.304979      0.066446
  C      -5.260671      6.069980      1.175854
  C      -6.243822      6.353526      2.161133
  C      -5.860966      2.442652      7.774185
  C      -6.836967      3.560433      8.163921
  C      -8.280021      3.051119      8.393048
  C      -8.984242      2.725889      7.101048
  N      -8.624578      1.560992      6.471099
  C      -9.198217      1.303175      5.268683
  N     -10.120206      2.041713      4.644835
  C     -10.521872      3.203421      5.274611
  C     -11.488376      4.008670      4.651125
  C     -11.888326      5.214196      5.238868
  C     -11.339701      5.644982      6.473947
  C     -10.406025      4.864631      7.109098
  C      -9.968500      3.619100      6.531337
  H      -3.889300      1.006635      2.715239
  H      -5.298475      1.365958      3.732656
  H      -4.469695     -0.811615      5.091269
  H      -3.648695     -1.189849      3.560094
  H      -5.837201     -2.240630      3.407684
  H      -6.646505     -0.831001      4.146543
  H      -8.032114      1.855697      0.995557
  H      -5.509943      0.078962     -2.418106
  H      -3.863847     -1.776004     -2.551657
  H      -3.274428     -3.092896     -0.508185
  H      -4.314220     -2.572910      1.681015
  H      -5.441027      6.078957      6.155608
  H      -4.142200      6.734252      7.163963
  H      -3.357762      8.189238      5.366486
  H      -5.087839      8.427715      5.648660
  H      -4.371440      8.404228      3.206796
  H      -3.861439      6.732720      3.405603
  H      -9.027425      7.212655      4.580068
  H      -8.909165      4.740481      0.696073
  H      -7.123403      4.169026     -0.967519
  H      -4.820459      5.084217     -0.680079
  H      -4.247056      6.458588      1.293810
  H      -5.738952      1.763164      8.640123
  H      -6.328749      1.845868      6.979933
  H      -6.488391      4.068629      9.075579
  H      -6.841905      4.310510      7.361483
  H      -8.257883      2.140646      9.011566
  H      -8.840667      3.810218      8.952263
  H      -8.840473      0.385321      4.758028
  H     -11.889725      3.667314      3.694165
  H     -12.626731      5.846396      4.748148
  H     -11.667959      6.627109      6.920015
  H      -9.985591      5.214023      8.053710
  N      -3.499871      3.959506      3.140790
  H      -2.603274      4.419204      2.991524
  H      -4.210790      4.575409      2.760320
  H      -3.508692      3.118083      2.559909
  N      -5.923931      3.637710      4.785191
  N      -6.998380      3.832436      4.375844
101
Coordinates from ORCA-job orca E -6314.500909032960
  N      -3.509523      1.606721      4.706884
  Mo     -4.116298      3.394160      5.448515
  N      -4.562893      2.903499      7.316379
  C      -3.466882      2.835658      8.275369
  C      -2.204035      2.380652      7.549099
  N      -2.044739      3.175012      6.297268
  C      -1.270979      2.437968      5.270116
  C      -2.098685      1.272211      4.702043
  C      -1.481107      4.522652      6.581944
  C      -2.143771      5.565364      5.677823
  N      -3.577243      5.342670      5.661733
  H      -1.736319      1.069257      3.668640
  H      -1.888787      0.341043      5.274268
  H      -1.043583      3.159803      4.472242
  H      -0.307865      2.080089      5.687338
  H      -1.886090      6.571239      6.055406
  H      -1.702736      5.507287      4.660387
  H      -1.724181      4.766333      7.625322
  H      -0.379882      4.505835      6.483655
  H      -3.680663      2.115978      9.085948
  H      -3.286000      3.813329      8.772688
  H      -2.326070      1.330943      7.252649
  H      -1.299102      2.469071      8.180031
  C      -4.320933      0.896020      3.747965
  C      -4.502088     -0.607431      4.008919
  C      -5.853595     -1.118908      3.461067
  C      -6.195309     -0.533954      2.121006
  N      -7.119851      0.433541      2.117287
  C      -7.372111      1.051161      0.936424
  N      -6.791105      0.806714     -0.240695
  C      -5.854574     -0.210767     -0.270642
  C      -5.194773     -0.549612     -1.500673
  C      -4.251858     -1.573324     -1.547573
  C      -3.938846     -2.294582     -0.381942
  C      -4.564800     -1.982577      0.829524
  C      -5.526974     -0.936392      0.910310
  C      -4.415036      6.432359      6.128972
  C      -4.369873      7.711200      5.262504
  C      -4.618180      7.481310      3.770892
  C      -6.008248      7.038076      3.399335
  N      -6.985227      7.294050      4.242752
  C      -8.236914      6.901616      3.890518
  N      -8.604461      6.224740      2.832657
  C      -7.608764      5.915328      1.966450
  C      -7.910970      5.131158      0.838074
  C      -6.936056      4.839247     -0.075526
  C      -5.629291      5.343441      0.087442
  C      -5.303194      6.094667      1.188100
  C      -6.272506      6.367262      2.171871
  C      -5.860937      2.433289      7.772262
  C      -6.840812      3.543773      8.176305
  C      -8.279454      3.015553      8.387406
  C      -8.962143      2.718736      7.081455
  N      -8.612221      1.630049      6.447172
  C      -9.162372      1.388140      5.233372
  N     -10.049237      2.078722      4.601037
  C     -10.450042      3.212895      5.234840
  C     -11.404957      4.064133      4.599055
  C     -11.803253      5.262712      5.197719
  C     -11.273613      5.630600      6.454419
  C     -10.351103      4.807133      7.100228
  C      -9.918144      3.591404      6.507643
  H      -3.916956      1.008923      2.712533
  H      -5.311545      1.364583      3.734581
  H      -4.478037     -0.787440      5.093307
  H      -3.672268     -1.174612      3.568361
  H      -5.848198     -2.215130      3.417169
  H      -6.652060     -0.813499      4.145652
  H      -8.143559      1.847792      0.976726
  H      -5.458424      0.014259     -2.388143
  H      -3.749122     -1.829566     -2.493884
  H      -3.201285     -3.100315     -0.435496
  H      -4.320126     -2.544065      1.724766
  H      -5.451727      6.069422      6.164526
  H      -4.149361      6.726616      7.167818
  H      -3.382278      8.187981      5.366502
  H      -5.110752      8.419208      5.661381
  H      -4.407211      8.412908      3.213467
  H      -3.892400      6.743805      3.401306
  H      -9.025894      7.190298      4.583563
  H      -8.930013      4.764631      0.728909
  H      -7.166034      4.216007     -0.935693
  H      -4.875238      5.129584     -0.665440
  H      -4.292647      6.483914      1.299019
  H      -5.737315      1.744224      8.631741
  H      -6.329422      1.844421      6.970834
  H      -6.495361      4.039645      9.096640
  H      -6.848936      4.309723      7.385297
  H      -8.253749      2.091765      8.988209
  H      -8.855154      3.756837      8.956129
  H      -8.809518      0.488025      4.726311
  H     -11.790255      3.757990      3.627467
  H     -12.526612      5.920632      4.698901
  H     -11.591010      6.563776      6.914601
  H      -9.942856      5.112583      8.061377
  N      -3.524799      3.949848      3.136180
  H      -2.624678      4.411096      2.980679
  H      -4.244615      4.568389      2.761177
  H      -3.537378      3.109176      2.554900
  N      -5.926422      3.632072      4.797792
  N      -6.994692      3.829760      4.408907
101
Coordinates from ORCA-job orca E -6314.499431967991
  N      -3.482511      1.634992      4.694764
  Mo     -4.101435      3.415878      5.450830
  N      -4.556780      2.898741      7.310680
  C      -3.466950      2.825377      8.276448
  C      -2.198040      2.386803      7.551381
  N      -2.034903      3.197014      6.306677
  C      -1.252347      2.471448      5.277290
  C      -2.070911      1.307033      4.697017
  C      -1.479457      4.545207      6.607511
  C      -2.142065      5.594172      5.708856
  N      -3.573604      5.361251      5.683364
  H      -1.702952      1.111161      3.667647
  H      -1.860858      0.376769      5.264644
  H      -1.022674      3.201124      4.487722
  H      -0.292214      2.112971      5.697174
  H      -1.892839      6.599434      6.096909
  H      -1.693360      5.548806      4.691889
  H      -1.731473      4.777446      7.653164
  H      -0.378086      4.536408      6.515414
  H      -3.681925      2.093713      9.079052
  H      -3.296600      3.799621      8.784676
  H      -2.313099      1.338327      7.244323
  H      -1.298427      2.472273      8.187651
  C      -4.283238      0.925285      3.728357
  C      -4.453139     -0.582356      3.988687
  C      -5.809294     -1.107840      3.440144
  C      -6.190319     -0.545659      2.092756
  N      -7.107559      0.409887      2.059714
  C      -7.387213      0.999215      0.872373
  N      -6.863325      0.742909     -0.279409
  C      -5.943674     -0.258025     -0.280727
  C      -5.341170     -0.611669     -1.490949
  C      -4.396744     -1.628394     -1.520343
  C      -4.032355     -2.322569     -0.347060
  C      -4.602981     -1.996397      0.843090
  C      -5.564849     -0.959021      0.904626
  C      -4.421756      6.441285      6.156169
  C      -4.374232      7.724259      5.299740
  C      -4.612474      7.492552      3.806022
  C      -5.999890      7.042816      3.423555
  N      -6.982952      7.300492      4.263151
  C      -8.227571      6.902317      3.903448
  N      -8.586211      6.215387      2.844703
  C      -7.584884      5.904033      1.977449
  C      -7.877232      5.111034      0.843083
  C      -6.893366      4.818649     -0.074031
  C      -5.588036      5.329267      0.090311
  C      -5.270851      6.089283      1.198832
  C      -6.251661      6.363527      2.187164
  C      -5.857832      2.420842      7.756843
  C      -6.841238      3.521706      8.167053
  C      -8.280541      2.989387      8.372099
  C      -8.954983      2.705522      7.059638
  N      -8.593548      1.592086      6.440792
  C      -9.138232      1.366585      5.217403
  N     -10.040278      2.116856      4.562912
  C     -10.449289      3.259443      5.196127
  C     -11.421051      4.108450      4.563135
  C     -11.823533      5.241338      5.168935
  C     -11.298560      5.603836      6.429164
  C     -10.361521      4.804330      7.076467
  C      -9.918792      3.610449      6.478007
  H      -3.873954      1.045321      2.694428
  H      -5.283562      1.384749      3.712016
  H      -4.432220     -0.760797      5.073998
  H      -3.613731     -1.145050      3.549642
  H      -5.790326     -2.211990      3.406426
  H      -6.607065     -0.801125      4.126017
  H      -8.157506      1.800793      0.899297
  H      -5.640688     -0.069418     -2.385270
  H      -3.930536     -1.899615     -2.461034
  H      -3.286303     -3.128643     -0.390463
  H      -4.322809     -2.535759      1.745825
  H      -5.456522      6.072182      6.182519
  H      -4.165196      6.729907      7.198762
  H      -3.388950      8.206435      5.411680
  H      -5.120624      8.427852      5.697929
  H      -4.403285      8.423800      3.250178
  H      -3.880335      6.757829      3.442868
  H      -9.024767      7.193556      4.595567
  H      -8.896342      4.738475      0.730822
  H      -7.118470      4.189495     -0.937791
  H      -4.826345      5.115855     -0.666404
  H      -4.260575      6.484317      1.312766
  H      -5.734989      1.724432      8.610451
  H      -6.320853      1.839594      6.947131
  H      -6.499088      4.012625      9.094475
  H      -6.847744      4.295645      7.380111
  H      -8.261673      2.062345      8.966849
  H      -8.854781      3.727968      8.944649
  H      -8.780051      0.459261      4.720459
  H     -11.802507      3.810492      3.586920
  H     -12.556847      5.886130      4.675058
  H     -11.618822      6.512033      6.891784
  H      -9.960518      5.106506      8.043948
  N      -3.494639      3.994655      3.153376
  H      -2.590787      4.462788      3.013151
  H      -4.223981      4.623989      2.776403
  H      -3.498125      3.158040      2.565434
  N      -5.916041      3.655765      4.797124
  N      -6.967727      3.846022      4.420136
101
Coordinates from ORCA-job orca E -6314.502114528582
  N      -3.501309      1.622804      4.714679
  Mo     -4.110547      3.408363      5.452034
  N      -4.568193      2.915994      7.316548
  C      -3.478814      2.849277      8.278381
  C      -2.214117      2.395225      7.561678
  N      -2.046097      3.188127      6.312149
  C      -1.269729      2.452378      5.291833
  C      -2.092610      1.286179      4.723434
  C      -1.482982      4.535050      6.600074
  C      -2.137106      5.578280      5.694088
  N      -3.569932      5.357044      5.669271
  H      -1.723258      1.077124      3.696074
  H      -1.887980      0.360339      5.302557
  H      -1.040538      3.172891      4.496417
  H      -0.312432      2.096520      5.710996
  H      -1.880099      6.582907      6.074667
  H      -1.689292      5.520962      4.680185
  H      -1.732703      4.777765      7.640317
  H      -0.382154      4.518110      6.508878
  H      -3.697310      2.128950      9.087173
  H      -3.300937      3.825733      8.775881
  H      -2.335701      1.345518      7.266222
  H      -1.314655      2.482915      8.196608
  C      -4.309866      0.904299      3.750661
  C      -4.491037     -0.605630      4.013559
  C      -5.839848     -1.122703      3.460228
  C      -6.180051     -0.538944      2.115255
  N      -7.098523      0.414789      2.115103
  C      -7.361408      1.037918      0.930055
  N      -6.804097      0.817093     -0.246922
  C      -5.882789     -0.183388     -0.283069
  C      -5.271611     -0.495681     -1.515784
  C      -4.353542     -1.503461     -1.579641
  C      -3.998467     -2.245140     -0.416128
  C      -4.575704     -1.959959      0.799245
  C      -5.528624     -0.924405      0.896886
  C      -4.405963      6.450230      6.130776
  C      -4.347211      7.723758      5.264071
  C      -4.592129      7.477442      3.777208
  C      -5.992075      7.039216      3.413826
  N      -6.984930      7.325699      4.269889
  C      -8.249839      6.941474      3.927883
  N      -8.618746      6.240429      2.865172
  C      -7.611285      5.895472      1.983183
  C      -7.919670      5.083468      0.850809
  C      -6.928087      4.757975     -0.075837
  C      -5.607479      5.256784      0.078732
  C      -5.277100      6.036631      1.183301
  C      -6.260413      6.341012      2.180542
  C      -5.863353      2.439467      7.778748
  C      -6.845422      3.545984      8.177596
  C      -8.288771      3.022173      8.393022
  C      -8.975988      2.706927      7.088046
  N      -8.636583      1.558035      6.468231
  C      -9.187678      1.302250      5.251582
  N     -10.074129      2.049503      4.603940
  C     -10.454046      3.193690      5.226450
  C     -11.379476      4.001788      4.581112
  C     -11.756088      5.202836      5.153440
  C     -11.226183      5.613757      6.400389
  C     -10.332588      4.823727      7.062108
  C      -9.919905      3.596192      6.496094
  H      -3.902384      1.015422      2.715754
  H      -5.303469      1.373401      3.734986
  H      -4.473855     -0.787869      5.100477
  H      -3.654184     -1.169600      3.573961
  H      -5.831983     -2.220353      3.415366
  H      -6.641190     -0.816427      4.150568
  H      -8.096120      1.823232      0.982062
  H      -5.563676      0.081459     -2.404223
  H      -3.890874     -1.744059     -2.534617
  H      -3.269749     -3.046937     -0.491543
  H      -4.306104     -2.536479      1.693730
  H      -5.444890      6.092960      6.161101
  H      -4.145494      6.745803      7.170197
  H      -3.357195      8.197095      5.370850
  H      -5.086086      8.439627      5.653303
  H      -4.375756      8.400128      3.209674
  H      -3.869310      6.730507      3.417327
  H      -9.043303      7.257869      4.618898
  H      -8.947694      4.724997      0.748089
  H      -7.162935      4.116444     -0.931119
  H      -4.847628      5.021763     -0.675863
  H      -4.258956      6.421432      1.288619
  H      -5.735618      1.754496      8.639191
  H      -6.330665      1.844876      6.982121
  H      -6.503280      4.046094      9.098471
  H      -6.850715      4.305388      7.381542
  H      -8.264585      2.101295      8.999439
  H      -8.859157      3.769877      8.957339
  H      -8.851291      0.404208      4.749644
  H     -11.765807      3.674121      3.614381
  H     -12.464435      5.854150      4.642577
  H     -11.535570      6.594153      6.834066
  H      -9.927055      5.162368      8.016078
  N      -3.512870      3.972084      3.144539
  H      -2.617222      4.436302      2.994056
  H      -4.232251      4.586327      2.765277
  H      -3.519846      3.130687      2.560686
  N      -5.925596      3.648536      4.786864
  N      -6.991172      3.838987      4.377974
101
Coordinates from ORCA-job orca E -6314.501721288715
  N      -3.501964      1.607475      4.706834
  Mo     -4.116613      3.392051      5.449607
  N      -4.564588      2.897157      7.316105
  C      -3.471244      2.835689      8.275817
  C      -2.204493      2.386508      7.552619
  N      -2.046297      3.181182      6.300997
  C      -1.269608      2.447635      5.274727
  C      -2.090816      1.276727      4.710779
  C      -1.489763      4.530650      6.586715
  C      -2.154781      5.571578      5.683004
  N      -3.586685      5.343339      5.664112
  H      -1.723435      1.067311      3.680427
  H      -1.880804      0.350569      5.291472
  H      -1.047368      3.170381      4.475034
  H      -0.304213      2.094548      5.690277
  H      -1.902413      6.577683      6.062383
  H      -1.711423      5.516727      4.666262
  H      -1.736494      4.771783      7.629120
  H      -0.388689      4.518611      6.490743
  H      -3.682984      2.114983      9.086640
  H      -3.296817      3.813994      8.772211
  H      -2.320236      1.336152      7.257122
  H      -1.302298      2.479033      8.184902
  C      -4.314782      0.891188      3.749352
  C      -4.491321     -0.621066      4.009202
  C      -5.843999     -1.143670      3.464695
  C      -6.186535     -0.552343      2.126444
  N      -7.106785      0.413642      2.135405
  C      -7.358580      1.041726      0.956034
  N      -6.781773      0.809343     -0.231719
  C      -5.849863     -0.208062     -0.275530
  C      -5.199390     -0.533296     -1.513477
  C      -4.265113     -1.552113     -1.573105
  C      -3.944100     -2.288767     -0.411217
  C      -4.560780     -1.990425      0.810048
  C      -5.519446     -0.945706      0.903926
  C      -4.428257      6.430595      6.128546
  C      -4.381430      7.710009      5.264186
  C      -4.627088      7.482213      3.772652
  C      -6.019656      7.040808      3.399728
  N      -7.006292      7.303870      4.243706
  C      -8.261490      6.911606      3.889446
  N      -8.623025      6.223856      2.827681
  C      -7.619686      5.907879      1.960990
  C      -7.918695      5.115686      0.829489
  C      -6.937542      4.824448     -0.083987
  C      -5.629419      5.334623      0.084478
  C      -5.306338      6.091032      1.188551
  C      -6.281229      6.364489      2.170399
  C      -5.860192      2.428087      7.774513
  C      -6.838053      3.537997      8.186124
  C      -8.274284      3.004478      8.400450
  C      -8.966916      2.709087      7.096526
  N      -8.633268      1.572366      6.468357
  C      -9.191171      1.325292      5.256127
  N     -10.069792      2.051127      4.618788
  C     -10.450915      3.236908      5.238576
  C     -11.384639      4.111316      4.591185
  C     -11.761612      5.313989      5.180261
  C     -11.225479      5.680638      6.435618
  C     -10.326273      4.867376      7.086466
  C      -9.912590      3.624418      6.508571
  H      -3.912338      1.006738      2.712009
  H      -5.311290      1.357835      3.741211
  H      -4.466034     -0.801696      5.094262
  H      -3.655016     -1.185525      3.566533
  H      -5.832642     -2.243558      3.417809
  H      -6.648700     -0.844210      4.154741
  H      -8.124627      1.832433      1.005934
  H      -5.466807      0.041379     -2.398601
  H      -3.770847     -1.798639     -2.523598
  H      -3.210720     -3.092029     -0.477052
  H      -4.310293     -2.563813      1.701627
  H      -5.464630      6.065483      6.159925
  H      -4.167169      6.724739      7.168437
  H      -3.393694      8.186933      5.370778
  H      -5.123476      8.417661      5.662300
  H      -4.413983      8.415354      3.217815
  H      -3.901046      6.743992      3.400600
  H      -9.053535      7.207695      4.576077
  H      -8.937024      4.745382      0.717357
  H      -7.164545      4.197335     -0.944084
  H      -4.873649      5.122622     -0.663898
  H      -4.296083      6.483837      1.303312
  H      -5.733280      1.737044      8.631485
  H      -6.331549      1.841625      6.974755
  H      -6.491961      4.027565      9.107302
  H      -6.848336      4.306414      7.399952
  H      -8.237882      2.077927      8.993758
  H      -8.851215      3.739194      8.977314
  H      -8.853048      0.372816      4.756946
  H     -11.776034      3.798136      3.622428
  H     -12.468969      5.958531      4.677713
  H     -11.528578      6.598357      6.889494
  H      -9.912667      5.167329      8.046298
  N      -3.524775      3.956044      3.139824
  H      -2.629281      4.424308      2.982816
  H      -4.246436      4.569183      2.764464
  H      -3.529721      3.115768      2.559100
  N      -5.932792      3.620487      4.791046
  N      -7.012673      3.806440      4.378166
101
Coordinates from ORCA-job orca E -6314.501990425444
  N      -3.506084      1.626676      4.697057
  Mo     -4.118721      3.406823      5.455328
  N      -4.562225      2.895988      7.317984
  C      -3.466660      2.828349      8.278523
  C      -2.201229      2.386953      7.549061
  N      -2.046407      3.190169      6.300778
  C      -1.272149      2.461126      5.267193
  C      -2.095719      1.292693      4.699419
  C      -1.488538      4.538907      6.593585
  C      -2.156082      5.584613      5.695477
  N      -3.588762      5.353781      5.678482
  H      -1.728367      1.084705      3.670580
  H      -1.888571      0.366003      5.276601
  H      -1.052888      3.187346      4.471669
  H      -0.305791      2.107743      5.679366
  H      -1.903159      6.590165      6.079211
  H      -1.714210      5.535629      4.676695
  H      -1.733871      4.775280      7.639380
  H      -0.387214      4.529080      6.495818
  H      -3.676308      2.101208      9.084660
  H      -3.293541      3.804511      8.782017
  H      -2.317017      1.337549      7.247388
  H      -1.297363      2.477125      8.180178
  C      -4.311043      0.913020      3.737512
  C      -4.470363     -0.592710      3.999762
  C      -5.824286     -1.127677      3.453536
  C      -6.205476     -0.552264      2.112621
  N      -7.142801      0.397295      2.095450
  C      -7.417064      1.000138      0.914054
  N      -6.858183      0.758347     -0.250132
  C      -5.918079     -0.239277     -0.266638
  C      -5.282813     -0.576286     -1.485502
  C      -4.320159     -1.584149     -1.523531
  C      -3.968520     -2.286921     -0.356020
  C      -4.570470     -1.976746      0.843288
  C      -5.552591     -0.948347      0.914149
  C      -4.433596      6.438891      6.146292
  C      -4.391125      7.719597      5.283783
  C      -4.643444      7.491037      3.791709
  C      -6.034123      7.047809      3.421381
  N      -7.007752      7.313471      4.261915
  C      -8.256437      6.919078      3.912645
  N      -8.624200      6.225773      2.866770
  C      -7.632202      5.906603      2.002352
  C      -7.933788      5.105032      0.884101
  C      -6.961627      4.804604     -0.030806
  C      -5.657690      5.316449      0.119374
  C      -5.331088      6.082989      1.211885
  C      -6.298726      6.364668      2.198457
  C      -5.858499      2.410006      7.768397
  C      -6.851253      3.499497      8.192472
  C      -8.282990      2.942307      8.381657
  C      -8.943128      2.677446      7.060308
  N      -8.605698      1.586387      6.445994
  C      -9.131811      1.386129      5.214506
  N      -9.985011      2.117478      4.547333
  C     -10.372394      3.246938      5.169551
  C     -11.297672      4.114300      4.513834
  C     -11.679743      5.293954      5.105276
  C     -11.173445      5.675201      6.369795
  C     -10.281751      4.833494      7.039148
  C      -9.863150      3.596369      6.457436
  H      -3.911752      1.032504      2.700621
  H      -5.307853      1.369314      3.726696
  H      -4.443532     -0.772329      5.084315
  H      -3.627736     -1.148486      3.559362
  H      -5.793133     -2.234286      3.411131
  H      -6.630359     -0.835981      4.142490
  H      -8.178829      1.788851      0.947935
  H      -5.574671     -0.027165     -2.374871
  H      -3.835690     -1.840542     -2.464827
  H      -3.216829     -3.081960     -0.403488
  H      -4.299064     -2.523057      1.740337
  H      -5.468705      6.071276      6.179450
  H      -4.171836      6.732114      7.186413
  H      -3.405120      8.199592      5.387228
  H      -5.132914      8.424580      5.686606
  H      -4.435975      8.423123      3.235388
  H      -3.917628      6.755462      3.420834
  H      -9.045770      7.216713      4.604266
  H      -8.951454      4.731802      0.783103
  H      -7.192307      4.167092     -0.883054
  H      -4.904746      5.096083     -0.637201
  H      -4.321429      6.477361      1.313999
  H      -5.725989      1.708498      8.616988
  H      -6.322088      1.829039      6.957676
  H      -6.515471      3.978104      9.126678
  H      -6.865511      4.285862      7.418899
  H      -8.249003      2.002069      8.956198
  H      -8.874886      3.658519      8.965093
  H      -8.792288      0.488287      4.722991
  H     -11.665185      3.819687      3.532381
  H     -12.376371      5.971148      4.588624
  H     -11.474674      6.652901      6.816936
  H      -9.890771      5.149405      8.007767
  N      -3.528926      3.975492      3.152184
  H      -2.634007      4.446009      3.004651
  H      -4.256308      4.590929      2.778585
  H      -3.531015      3.136156      2.568370
  N      -5.926874      3.638452      4.803554
  N      -6.987404      3.828558      4.426871
101
Coordinates from ORCA-job orca E -6314.502240472758
  N      -3.500199      1.624556      4.712451
  Mo     -4.116899      3.405806      5.450810
  N      -4.571711      2.904057      7.312770
  C      -3.483522      2.845285      8.276167
  C      -2.215816      2.399437      7.560488
  N      -2.051999      3.194474      6.311429
  C      -1.274202      2.462781      5.289269
  C      -2.090596      1.289140      4.728688
  C      -1.495312      4.543978      6.600459
  C      -2.156447      5.586353      5.696978
  N      -3.587661      5.356533      5.674506
  H      -1.715017      1.070025      3.705316
  H      -1.886879      0.370234      5.319298
  H      -1.056608      3.183692      4.491418
  H      -0.311990      2.115950      5.704292
  H      -1.904028      6.591906      6.079534
  H      -1.709741      5.534299      4.681829
  H      -1.745248      4.783905      7.642060
  H      -0.394761      4.533383      6.507896
  H      -3.698071      2.124529      9.085439
  H      -3.312045      3.823797      8.772272
  H      -2.330556      1.348760      7.265681
  H      -1.318020      2.493636      8.195862
  C      -4.306607      0.904578      3.752617
  C      -4.479830     -0.598802      4.018848
  C      -5.822902     -1.116743      3.464371
  C      -6.175862     -0.541895      2.122230
  N      -7.106735      0.402981      2.117281
  C      -7.390707      1.013025      0.935534
  N      -6.850363      0.787057     -0.234942
  C      -5.911465     -0.203177     -0.265836
  C      -5.306936     -0.520957     -1.494714
  C      -4.365849     -1.521892     -1.554042
  C      -3.991300     -2.243548     -0.391173
  C      -4.564258     -1.952636      0.818898
  C      -5.532631     -0.927742      0.911442
  C      -4.431077      6.441881      6.140378
  C      -4.381632      7.721054      5.281047
  C      -4.633028      7.483623      3.792715
  C      -6.030451      7.040622      3.434366
  N      -7.009348      7.320691      4.291432
  C      -8.267991      6.929251      3.957353
  N      -8.643020      6.226320      2.906972
  C      -7.648332      5.891333      2.022740
  C      -7.961374      5.080796      0.898791
  C      -6.982202      4.762882     -0.033801
  C      -5.666735      5.267632      0.105107
  C      -5.331616      6.046952      1.202309
  C      -6.303731      6.344461      2.206209
  C      -5.867893      2.426946      7.766814
  C      -6.849756      3.531864      8.169609
  C      -8.290626      2.995897      8.371562
  C      -8.957531      2.689138      7.055196
  N      -8.647784      1.517598      6.452588
  C      -9.183321      1.263700      5.226786
  N     -10.025928      2.053221      4.551771
  C     -10.374393      3.226834      5.163485
  C     -11.261809      4.095674      4.495749
  C     -11.601395      5.298695      5.065479
  C     -11.080161      5.640490      6.333208
  C     -10.222665      4.781849      7.018288
  C      -9.850289      3.588222      6.447734
  H      -3.905436      1.016566      2.715892
  H      -5.302307      1.370147      3.742561
  H      -4.462920     -0.773846      5.105038
  H      -3.644378     -1.161764      3.584077
  H      -5.813213     -2.208228      3.419611
  H      -6.615324     -0.812640      4.151692
  H      -8.153128      1.796241      0.984037
  H      -5.615924      0.041440     -2.382177
  H      -3.904124     -1.766215     -2.507398
  H      -3.246284     -3.038179     -0.460756
  H      -4.279172     -2.513442      1.713527
  H      -5.467246      6.077403      6.168073
  H      -4.173537      6.733931      7.181524
  H      -3.393991      8.199167      5.386432
  H      -5.122705      8.429393      5.678947
  H      -4.425185      8.411492      3.231181
  H      -3.909767      6.743549      3.423259
  H      -9.057580      7.243421      4.652627
  H      -8.986488      4.714659      0.807425
  H      -7.219905      4.118898     -0.885785
  H      -4.912862      5.034855     -0.659494
  H      -4.315895      6.436917      1.296488
  H      -5.742626      1.737124      8.623801
  H      -6.332971      1.836545      6.963984
  H      -6.512838      4.026707      9.098818
  H      -6.852613      4.299962      7.377438
  H      -8.265102      2.069326      8.969025
  H      -8.874203      3.733452      8.937551
  H      -8.872761      0.341182      4.741191
  H     -11.639506      3.802963      3.515723
  H     -12.275700      6.002846      4.536168
  H     -11.354158      6.597089      6.770088
  H      -9.818610      5.066365      7.988610
  N      -3.524884      3.974540      3.149303
  H      -2.631937      4.450951      2.998439
  H      -4.257531      4.584338      2.770765
  H      -3.521823      3.132543      2.566687
  N      -5.931026      3.639483      4.792938
  N      -6.986645      3.819952      4.395129
101
Coordinates from ORCA-job orca E -6314.502928543533
  N      -3.498518      1.620636      4.705963
  Mo     -4.115769      3.403098      5.452580
  N      -4.565707      2.901481      7.318585
  C      -3.473275      2.840542      8.279361
  C      -2.204763      2.394603      7.557135
  N      -2.045404      3.190959      6.305667
  C      -1.269481      2.459250      5.277997
  C      -2.089377      1.285815      4.719973
  C      -1.489168      4.540445      6.593256
  C      -2.153375      5.582880      5.691819
  N      -3.585353      5.354116      5.671693
  H      -1.717358      1.066285      3.695278
  H      -1.884602      0.365946      5.309978
  H      -1.053600      3.181662      4.476549
  H      -0.302005      2.110112      5.689184
  H      -1.901393      6.588150      6.074325
  H      -1.708591      5.530956      4.675031
  H      -1.737131      4.779600      7.635904
  H      -0.388026      4.529489      6.498250
  H      -3.684694      2.116914      9.089373
  H      -3.301733      3.818091      8.778213
  H      -2.319186      1.343890      7.260889
  H      -1.303272      2.486938      8.190498
  C      -4.310355      0.898023      3.748832
  C      -4.482575     -0.616526      4.015808
  C      -5.832399     -1.141928      3.469933
  C      -6.182923     -0.557072      2.128439
  N      -7.104019      0.394390      2.133318
  C      -7.370822      1.019431      0.950947
  N      -6.815695      0.800860     -0.229171
  C      -5.887278     -0.198779     -0.270173
  C      -5.263248     -0.508531     -1.505097
  C      -4.334429     -1.512709     -1.570536
  C      -3.987503     -2.253205     -0.408827
  C      -4.577324     -1.970328      0.809099
  C      -5.533791     -0.938668      0.908260
  C      -4.425873      6.443016      6.134823
  C      -4.371352      7.721195      5.272873
  C      -4.618905      7.488207      3.783775
  C      -6.017501      7.050564      3.417730
  N      -7.008795      7.332120      4.269714
  C      -8.271162      6.944660      3.924232
  N      -8.636242      6.241444      2.863317
  C      -7.630735      5.904040      1.986870
  C      -7.936793      5.093776      0.856982
  C      -6.949607      4.780690     -0.066033
  C      -5.633597      5.288078      0.090992
  C      -5.304673      6.063685      1.194052
  C      -6.284347      6.357142      2.186631
  C      -5.858489      2.418855      7.779628
  C      -6.848225      3.512881      8.201485
  C      -8.283083      2.966076      8.402253
  C      -8.968289      2.679262      7.091706
  N      -8.648049      1.523394      6.482091
  C      -9.196158      1.287207      5.260756
  N     -10.058387      2.045159      4.600156
  C     -10.421006      3.222305      5.205676
  C     -11.322838      4.064030      4.542262
  C     -11.681446      5.272969      5.103904
  C     -11.156891      5.691804      6.351004
  C     -10.288401      4.906847      7.024110
  C      -9.890740      3.623702      6.476523
  H      -3.910404      1.013003      2.710105
  H      -5.310111      1.361483      3.740831
  H      -4.461389     -0.794803      5.103236
  H      -3.642713     -1.178739      3.576953
  H      -5.819097     -2.239129      3.424624
  H      -6.632140     -0.841515      4.162892
  H      -8.136859      1.803530      1.005293
  H      -5.548951      0.067606     -2.391489
  H      -3.856154     -1.750720     -2.525889
  H      -3.249825     -3.051118     -0.484504
  H      -4.308384     -2.546055      1.701712
  H      -5.463517      6.080767      6.163493
  H      -4.167611      6.736671      7.175539
  H      -3.381625      8.195860      5.379825
  H      -5.110921      8.432958      5.669405
  H      -4.404508      8.418612      3.226056
  H      -3.895378      6.745954      3.412621
  H      -9.064729      7.256865      4.611144
  H      -8.960862      4.727768      0.752942
  H      -7.182268      4.140687     -0.920241
  H      -4.876958      5.061930     -0.661519
  H      -4.289753      6.454686      1.300660
  H      -5.724118      1.722111      8.629893
  H      -6.326034      1.833772      6.977698
  H      -6.512797      3.990603      9.131390
  H      -6.860186      4.289791      7.426808
  H      -8.239063      2.029175      8.978405
  H      -8.868403      3.685939      8.989500
  H      -8.873037      0.356440      4.770354
  H     -11.706832      3.730151      3.575597
  H     -12.367648      5.904214      4.586318
  H     -11.449958      6.635618      6.778352
  H      -9.885630      5.240766      7.979864
  N      -3.527425      3.977435      3.141517
  H      -2.634107      4.458060      2.982633
  H      -4.263196      4.585300      2.764261
  H      -3.523965      3.136599      2.558943
  N      -5.932877      3.630770      4.789035
  N      -7.004010      3.810550      4.371648
101
Coordinates from ORCA-job orca E -6314.503654575759
  N      -3.507905      1.618549      4.703050
  Mo     -4.122691      3.398137      5.449881
  N      -4.568986      2.892850      7.311406
  C      -3.477052      2.838586      8.272094
  C      -2.209250      2.395763      7.551249
  N      -2.053603      3.191596      6.300853
  C      -1.280296      2.461052      5.271217
  C      -2.098282      1.282328      4.720544
  C      -1.497752      4.541784      6.586727
  C      -2.167280      5.582819      5.686820
  N      -3.598355      5.349512      5.672377
  H      -1.722994      1.053368      3.698280
  H      -1.895979      0.367383      5.319769
  H      -1.074181      3.183092      4.468127
  H      -0.308689      2.118788      5.677714
  H      -1.915365      6.589081      6.066798
  H      -1.726613      5.530898      4.668797
  H      -1.741613      4.781478      7.630381
  H      -0.397004      4.532730      6.487304
  H      -3.686840      2.119389      9.083696
  H      -3.306840      3.819024      8.764424
  H      -2.320583      1.344553      7.257581
  H      -1.309333      2.494535      8.183557
  C      -4.317111      0.897987      3.746635
  C      -4.479302     -0.612048      4.010047
  C      -5.832712     -1.159197      3.464441
  C      -6.206733     -0.565828      2.129152
  N      -7.143264      0.383210      2.135266
  C      -7.406966      1.003120      0.958074
  N      -6.833944      0.778518     -0.223305
  C      -5.897844     -0.219564     -0.263202
  C      -5.255128     -0.537393     -1.496180
  C      -4.298331     -1.540462     -1.553577
  C      -3.949074     -2.264246     -0.393365
  C      -4.556880     -1.973047      0.821502
  C      -5.541508     -0.946325      0.912644
  C      -4.444785      6.431540      6.141223
  C      -4.404162      7.715000      5.283361
  C      -4.660881      7.493116      3.791708
  C      -6.054835      7.050176      3.424527
  N      -7.035642      7.316744      4.268560
  C      -8.289019      6.920805      3.919843
  N      -8.652093      6.219483      2.870279
  C      -7.655009      5.900833      2.003023
  C      -7.955658      5.096529      0.881638
  C      -6.982943      4.808279     -0.036087
  C      -5.679234      5.330237      0.116554
  C      -5.352176      6.094068      1.212534
  C      -6.320171      6.367044      2.199889
  C      -5.863632      2.416816      7.766032
  C      -6.847710      3.510545      8.198594
  C      -8.275872      2.943637      8.402550
  C      -8.949679      2.669101      7.085526
  N      -8.649982      1.538928      6.482004
  C      -9.185682      1.310191      5.256795
  N     -10.012604      2.047436      4.584984
  C     -10.359592      3.234264      5.181768
  C     -11.242467      4.139732      4.499523
  C     -11.583455      5.344226      5.062740
  C     -11.068523      5.711607      6.326832
  C     -10.220032      4.859309      7.019495
  C      -9.840660      3.599733      6.464707
  H      -3.921194      1.014775      2.707578
  H      -5.314606      1.357962      3.741699
  H      -4.455568     -0.788590      5.095492
  H      -3.630448     -1.167629      3.572644
  H      -5.792701     -2.272896      3.410395
  H      -6.651594     -0.880325      4.162994
  H      -8.150287      1.782991      1.008235
  H      -5.542608      0.026869     -2.379747
  H      -3.812552     -1.781885     -2.502094
  H      -3.201446     -3.055541     -0.456992
  H      -4.288196     -2.535695      1.712216
  H      -5.479330      6.061694      6.170682
  H      -4.186121      6.722342      7.182717
  H      -3.417291      8.193775      5.385906
  H      -5.144950      8.418623      5.690372
  H      -4.454768      8.428890      3.239967
  H      -3.936158      6.758539      3.412180
  H      -9.079354      7.219568      4.607598
  H      -8.970661      4.714338      0.780728
  H      -7.212379      4.173066     -0.889480
  H      -4.928971      5.120006     -0.638596
  H      -4.344160      6.495404      1.315850
  H      -5.730859      1.715936      8.614167
  H      -6.333425      1.837422      6.959231
  H      -6.503425      3.986769      9.130296
  H      -6.870022      4.296196      7.424685
  H      -8.222212      2.002749      8.974794
  H      -8.871577      3.651571      8.993276
  H      -8.876458      0.344114      4.780791
  H     -11.617441      3.853881      3.519326
  H     -12.247086      6.049533      4.521101
  H     -11.338529      6.707095      6.748406
  H      -9.820974      5.177183      7.983143
  N      -3.534878      3.966810      3.149905
  H      -2.649927      4.441411      3.002322
  H      -4.256296      4.570976      2.775172
  H      -3.527488      3.125939      2.569524
  N      -5.937547      3.618471      4.786544
  N      -7.012899      3.789785      4.379345
101
Coordinates from ORCA-job orca E -6314.504332501403
  N      -3.507631      1.621133      4.700369
  Mo     -4.123288      3.403095      5.450328
  N      -4.568630      2.895771      7.314511
  C      -3.474508      2.839186      8.276569
  C      -2.205852      2.395758      7.552554
  N      -2.050771      3.192144      6.300295
  C      -1.277904      2.458875      5.268919
  C      -2.098565      1.282091      4.717055
  C      -1.493956      4.542287      6.587092
  C      -2.164720      5.585412      5.687811
  N      -3.596903      5.352786      5.674469
  H      -1.723362      1.054355      3.695238
  H      -1.897549      0.366085      5.313544
  H      -1.071034      3.179341      4.465505
  H      -0.306353      2.115374      5.676033
  H      -1.912240      6.591687      6.070011
  H      -1.724792      5.535585      4.668232
  H      -1.737461      4.781669      7.632535
  H      -0.392844      4.533049      6.487331
  H      -3.682748      2.117694      9.088188
  H      -3.304234      3.819427      8.773154
  H      -2.318078      1.344299      7.257472
  H      -1.303176      2.492578      8.184931
  C      -4.315027      0.902830      3.746812
  C      -4.480733     -0.598086      4.016025
  C      -5.823929     -1.123605      3.460744
  C      -6.187225     -0.552242      2.120723
  N      -7.141451      0.389673      2.108681
  C      -7.429532      0.992852      0.928697
  N      -6.865613      0.757802     -0.238608
  C      -5.898531     -0.232188     -0.261200
  C      -5.263362     -0.560144     -1.483304
  C      -4.302669     -1.558410     -1.527013
  C      -3.945508     -2.262696     -0.361457
  C      -4.543223     -1.961260      0.841582
  C      -5.527581     -0.941603      0.918526
  C      -4.441290      6.437060      6.144192
  C      -4.401527      7.720248      5.286844
  C      -4.664640      7.496311      3.797315
  C      -6.059756      7.054138      3.442639
  N      -7.026428      7.326334      4.295905
  C      -8.280617      6.931398      3.964408
  N      -8.659835      6.233464      2.923432
  C      -7.675907      5.908007      2.046094
  C      -7.990508      5.099654      0.933173
  C      -7.022995      4.786203      0.005944
  C      -5.714027      5.294838      0.138213
  C      -5.376710      6.071129      1.224924
  C      -6.337284      6.363540      2.223895
  C      -5.862313      2.406275      7.764912
  C      -6.857045      3.496403      8.186236
  C      -8.288004      2.935916      8.366883
  C      -8.944480      2.661562      7.042933
  N      -8.645017      1.510334      6.442854
  C      -9.172229      1.298195      5.210880
  N      -9.992952      2.091785      4.526694
  C     -10.334836      3.253703      5.134737
  C     -11.210698      4.138730      4.462697
  C     -11.544199      5.367131      5.032581
  C     -11.031755      5.723610      6.300906
  C     -10.187072      4.839665      6.991136
  C      -9.820397      3.605385      6.422020
  H      -3.920572      1.017332      2.707517
  H      -5.310532      1.362994      3.740873
  H      -4.462797     -0.767833      5.101883
  H      -3.642253     -1.159452      3.586174
  H      -5.806059     -2.216133      3.417549
  H      -6.619480     -0.825530      4.141773
  H      -8.228899      1.773338      0.966417
  H      -5.563577     -0.010720     -2.371899
  H      -3.823997     -1.808297     -2.470367
  H      -3.196802     -3.050735     -0.414364
  H      -4.268932     -2.508801      1.737287
  H      -5.476451      6.069269      6.176492
  H      -4.179461      6.727759      7.185055
  H      -3.414441      8.198784      5.386003
  H      -5.140314      8.424389      5.696122
  H      -4.462271      8.430554      3.243081
  H      -3.943120      6.762191      3.415903
  H      -9.063103      7.231162      4.664223
  H      -9.011422      4.729554      0.846694
  H      -7.261391      4.141387     -0.841028
  H      -4.966411      5.064038     -0.627198
  H      -4.364376      6.463248      1.313101
  H      -5.728264      1.705496      8.613680
  H      -6.324317      1.822070      6.954529
  H      -6.528171      3.974000      9.125232
  H      -6.867382      4.282788      7.413103
  H      -8.250674      1.994996      8.937928
  H      -8.885957      3.648806      8.948852
  H      -8.868398      0.404306      4.727018
  H     -11.582158      3.835512      3.481875
  H     -12.202231      6.052772      4.503273
  H     -11.294795      6.676643      6.737858
  H      -9.787912      5.119785      7.963972
  N      -3.536590      3.970856      3.147099
  H      -2.647534      4.456280      2.994507
  H      -4.276397      4.573000      2.769767
  H      -3.524434      3.128575      2.566521
  N      -5.931161      3.631182      4.801216
  N      -6.992626      3.814335      4.419231
101
Coordinates from ORCA-job orca E -6314.502675346816
  N      -3.485494      1.620723      4.714284
  Mo     -4.111016      3.401793      5.446430
  N      -4.571584      2.900664      7.308396
  C      -3.487602      2.852787      8.276292
  C      -2.213282      2.410182      7.566827
  N      -2.047044      3.199827      6.312669
  C      -1.266740      2.467022      5.292579
  C      -2.077020      1.282583      4.747931
  C      -1.493862      4.551972      6.595991
  C      -2.156707      5.590032      5.690651
  N      -3.586826      5.355373      5.668180
  H      -1.692364      1.040503      3.731932
  H      -1.879613      0.376225      5.362503
  H      -1.059018      3.184790      4.486628
  H      -0.298342      2.130350      5.704175
  H      -1.908418      6.596755      6.071548
  H      -1.708334      5.537830      4.676035
  H      -1.745918      4.794131      7.636068
  H      -0.393236      4.543769      6.504300
  H      -3.702129      2.133459      9.088974
  H      -3.324616      3.834630      8.767300
  H      -2.321173      1.357190      7.278503
  H      -1.318528      2.511294      8.205279
  C      -4.296292      0.889580      3.760755
  C      -4.467868     -0.621526      4.041367
  C      -5.815592     -1.145792      3.500950
  C      -6.181649     -0.558250      2.162897
  N      -7.075073      0.388136      2.179472
  C      -7.360245      1.018433      1.002584
  N      -6.854760      0.812880     -0.179390
  C      -5.947209     -0.178627     -0.232915
  C      -5.356322     -0.473509     -1.477068
  C      -4.412444     -1.473629     -1.562735
  C      -4.026278     -2.221233     -0.408785
  C      -4.599749     -1.953218      0.817589
  C      -5.561985     -0.927333      0.936464
  C      -4.433052      6.438582      6.133099
  C      -4.378076      7.720999      5.280437
  C      -4.627797      7.490306      3.792332
  C      -6.025702      7.046030      3.433728
  N      -7.009159      7.325329      4.292622
  C      -8.270186      6.934528      3.955846
  N      -8.640613      6.229360      2.899046
  C      -7.642960      5.895878      2.012670
  C      -7.956702      5.090980      0.880938
  C      -6.978068      4.790691     -0.057340
  C      -5.662603      5.301286      0.087156
  C      -5.324983      6.068839      1.193871
  C      -6.297838      6.352967      2.200756
  C      -5.868437      2.421149      7.760438
  C      -6.862391      3.513619      8.174523
  C      -8.294001      2.953146      8.369220
  C      -8.965945      2.655628      7.054901
  N      -8.671487      1.493833      6.466175
  C      -9.213806      1.249251      5.240746
  N     -10.051349      2.024794      4.560671
  C     -10.382228      3.203415      5.154836
  C     -11.256324      4.062636      4.477724
  C     -11.577902      5.275594      5.029633
  C     -11.045344      5.663790      6.283979
  C     -10.200328      4.839369      6.973169
  C      -9.847736      3.589435      6.428270
  H      -3.897498      0.996082      2.722293
  H      -5.298390      1.353823      3.749854
  H      -4.449918     -0.789568      5.130470
  H      -3.629667     -1.187959      3.611108
  H      -5.802430     -2.237290      3.455186
  H      -6.603956     -0.846737      4.198798
  H      -8.105518      1.803998      1.073225
  H      -5.666661      0.109032     -2.357651
  H      -3.942624     -1.701480     -2.531011
  H      -3.262360     -3.018159     -0.502666
  H      -4.299384     -2.534138      1.705460
  H      -5.469169      6.072945      6.154000
  H      -4.181953      6.727458      7.176652
  H      -3.389474      8.198297      5.388920
  H      -5.118866      8.429362      5.680451
  H      -4.421358      8.423385      3.237529
  H      -3.903174      6.752684      3.416177
  H      -9.062516      7.246936      4.650030
  H      -8.980790      4.720356      0.785926
  H      -7.218602      4.157099     -0.914616
  H      -4.912248      5.085583     -0.678800
  H      -4.310518      6.464640      1.291862
  H      -5.742252      1.722827      8.610095
  H      -6.329332      1.836415      6.952825
  H      -6.535640      3.995598      9.109151
  H      -6.874439      4.289419      7.396322
  H      -8.240057      2.013993      8.941337
  H      -8.892634      3.664060      8.956253
  H      -8.912511      0.284547      4.770043
  H     -11.641222      3.743088      3.506049
  H     -12.241918      5.949450      4.496720
  H     -11.303821      6.628575      6.703644
  H      -9.787116      5.152881      7.933560
  N      -3.521463      3.978816      3.136978
  H      -2.629021      4.473846      2.977681
  H      -4.271484      4.581183      2.754121
  H      -3.506711      3.135277      2.557391
  N      -5.929604      3.621408      4.775342
  N      -6.983516      3.784558      4.356933
101
Coordinates from ORCA-job orca E -6314.503535415786
  N      -3.489743      1.628444      4.698747
  Mo     -4.114304      3.410778      5.444929
  N      -4.569523      2.901879      7.306312
  C      -3.481188      2.847476      8.272040
  C      -2.207405      2.405980      7.555833
  N      -2.046061      3.203512      6.304757
  C      -1.268640      2.473193      5.276709
  C      -2.081718      1.293871      4.726375
  C      -1.493457      4.553740      6.595202
  C      -2.162011      5.597808      5.697088
  N      -3.592193      5.362231      5.677487
  H      -1.701562      1.061016      3.710147
  H      -1.881621      0.384490      5.330676
  H      -1.063671      3.194721      4.473099
  H      -0.297599      2.131430      5.683400
  H      -1.913942      6.603263      6.083442
  H      -1.717499      5.551946      4.679065
  H      -1.741871      4.789694      7.639183
  H      -0.392690      4.546085      6.499642
  H      -3.692601      2.124927      9.083379
  H      -3.316066      3.828086      8.768224
  H      -2.315033      1.353912      7.260968
  H      -1.310214      2.503189      8.193404
  C      -4.301592      0.907054      3.745229
  C      -4.470562     -0.609056      4.013723
  C      -5.820206     -1.157347      3.463777
  C      -6.186456     -0.577504      2.122952
  N      -7.150744      0.370246      2.123627
  C      -7.426955      0.982866      0.941818
  N      -6.844110      0.757017     -0.234526
  C      -5.887486     -0.237782     -0.270929
  C      -5.266562     -0.556848     -1.500435
  C      -4.348784     -1.556026     -1.556945
  C      -4.000402     -2.278981     -0.393435
  C      -4.569209     -1.986889      0.817428
  C      -5.526097     -0.962450      0.907997
  C      -4.439089      6.442339      6.149485
  C      -4.393000      7.729778      5.301999
  C      -4.648494      7.511115      3.811891
  C      -6.046512      7.068218      3.451694
  N      -7.031578      7.342441      4.308695
  C      -8.291101      6.947097      3.970063
  N      -8.658645      6.244164      2.912789
  C      -7.658538      5.914441      2.030638
  C      -7.964634      5.101588      0.902410
  C      -6.981246      4.792403     -0.027626
  C      -5.668446      5.306382      0.120305
  C      -5.339388      6.084674      1.222400
  C      -6.315108      6.374059      2.221723
  C      -5.862144      2.415101      7.758969
  C      -6.853984      3.505906      8.182700
  C      -8.283744      2.942733      8.377692
  C      -8.962105      2.655922      7.063938
  N      -8.678274      1.498564      6.470370
  C      -9.227536      1.249337      5.250446
  N     -10.056391      2.008240      4.577095
  C     -10.380404      3.216917      5.165713
  C     -11.251991      4.119246      4.484815
  C     -11.565389      5.313574      5.040352
  C     -11.028625      5.697587      6.292235
  C     -10.189507      4.875547      6.977812
  C      -9.841434      3.599529      6.437759
  H      -3.904716      1.023140      2.704724
  H      -5.301917      1.371086      3.744792
  H      -4.454846     -0.784280      5.101562
  H      -3.618704     -1.167818      3.579856
  H      -5.783709     -2.267865      3.415977
  H      -6.637790     -0.870622      4.157228
  H      -8.199353      1.762292      0.992100
  H      -5.559576      0.004991     -2.388333
  H      -3.891480     -1.801362     -2.506655
  H      -3.286048     -3.071115     -0.460476
  H      -4.305834     -2.548626      1.711539
  H      -5.474440      6.073858      6.173534
  H      -4.183499      6.726865      7.193410
  H      -3.405137      8.207702      5.409168
  H      -5.133698      8.433302      5.710340
  H      -4.443859      8.448579      3.263274
  H      -3.923878      6.777245      3.427494
  H      -9.081301      7.246088      4.666005
  H      -8.986578      4.728694      0.805370
  H      -7.213476      4.148807     -0.882371
  H      -4.913619      5.082374     -0.640026
  H      -4.326336      6.481070      1.322405
  H      -5.728245      1.714615      8.606549
  H      -6.326281      1.832529      6.951855
  H      -6.522720      3.981918      9.118047
  H      -6.867945      4.288324      7.409723
  H      -8.229052      2.001722      8.946826
  H      -8.880905      3.650349      8.968910
  H      -8.934022      0.288371      4.777324
  H     -11.642671      3.820203      3.512797
  H     -12.225044      6.008560      4.502895
  H     -11.280608      6.688450      6.708312
  H      -9.773487      5.203690      7.933084
  N      -3.520902      3.993727      3.141106
  H      -2.637055      4.483972      2.990843
  H      -4.259475      4.592097      2.761340
  H      -3.499599      3.153492      2.558223
  N      -5.931876      3.633401      4.779437
  N      -7.002403      3.800825      4.366813
101
Coordinates from ORCA-job orca E -6314.502506331834
  N      -3.511228      1.611927      4.694724
  Mo     -4.124767      3.393824      5.441764
  N      -4.570834      2.890106      7.305162
  C      -3.476651      2.838478      8.266692
  C      -2.207358      2.394736      7.545373
  N      -2.052966      3.186970      6.291820
  C      -1.282199      2.450953      5.260951
  C      -2.103296      1.269250      4.717662
  C      -1.496337      4.537585      6.574525
  C      -2.169399      5.578572      5.675300
  N      -3.601299      5.344926      5.664327
  H      -1.725343      1.030657      3.698616
  H      -1.906498      0.357987      5.324377
  H      -1.081213      3.168957      4.453284
  H      -0.307119      2.111342      5.664589
  H      -1.917215      6.585019      6.055910
  H      -1.731568      5.527775      4.655652
  H      -1.737792      4.778956      7.619347
  H      -0.395229      4.528222      6.472817
  H      -3.683690      2.120113      9.079897
  H      -3.307656      3.820448      8.759460
  H      -2.317334      1.342304      7.253930
  H      -1.305503      2.494993      8.177830
  C      -4.322591      0.890587      3.744872
  C      -4.493953     -0.607332      4.014143
  C      -5.841412     -1.137191      3.461951
  C      -6.206185     -0.555413      2.123885
  N      -7.150626      0.390492      2.116654
  C      -7.416811      0.997796      0.937457
  N      -6.840091      0.762193     -0.236477
  C      -5.886687     -0.232188     -0.261923
  C      -5.223343     -0.559140     -1.485567
  C      -4.234329     -1.558870     -1.527562
  C      -3.888824     -2.266421     -0.362792
  C      -4.525595     -1.966045      0.842847
  C      -5.531846     -0.943292      0.918363
  C      -4.446632      6.428176      6.136365
  C      -4.411136      7.715100      5.281431
  C      -4.678635      7.500921      3.789752
  C      -6.073339      7.056503      3.432202
  N      -7.044518      7.320324      4.279687
  C      -8.298234      6.921785      3.941020
  N      -8.670180      6.225739      2.897504
  C      -7.682790      5.910127      2.029019
  C      -7.991690      5.107322      0.916316
  C      -7.027587      4.813671     -0.001674
  C      -5.723356      5.331505      0.140317
  C      -5.389088      6.096340      1.226773
  C      -6.347373      6.373035      2.215747
  C      -5.862688      2.404260      7.759671
  C      -6.853769      3.492482      8.193802
  C      -8.280401      2.922690      8.384419
  C      -8.952217      2.658472      7.065415
  N      -8.669123      1.506193      6.461045
  C      -9.210524      1.296597      5.237569
  N     -10.025644      2.071982      4.565844
  C     -10.353464      3.258161      5.167353
  C     -11.223037      4.163861      4.495348
  C     -11.541777      5.406879      5.062543
  C     -11.014556      5.767053      6.322611
  C     -10.176429      4.880899      7.006833
  C      -9.824589      3.616379      6.445975
  H      -3.929544      1.001214      2.704979
  H      -5.313838      1.350931      3.739658
  H      -4.475643     -0.775546      5.099973
  H      -3.655157     -1.170040      3.585133
  H      -5.814968     -2.238606      3.414647
  H      -6.648800     -0.847604      4.148594
  H      -8.177782      1.772201      0.973083
  H      -5.507826     -0.006662     -2.372210
  H      -3.726239     -1.804869     -2.466870
  H      -3.115921     -3.052035     -0.411448
  H      -4.255078     -2.515740      1.737082
  H      -5.481440      6.058810      6.168583
  H      -4.184499      6.716227      7.178291
  H      -3.424259      8.193583      5.379810
  H      -5.149706      8.416477      5.695903
  H      -4.479509      8.440598      3.241508
  H      -3.955604      6.771250      3.400793
  H      -9.081183      7.210422      4.637716
  H      -9.007831      4.728822      0.823006
  H      -7.262172      4.176386     -0.849345
  H      -4.978557      5.115898     -0.618395
  H      -4.380197      6.494439      1.320943
  H      -5.726030      1.700263      8.605852
  H      -6.329608      1.823633      6.950217
  H      -6.517291      3.962431      9.131990
  H      -6.872341      4.283437      7.425625
  H      -8.226382      1.974949      8.944327
  H      -8.878164      3.622107      8.980998
  H      -8.918007      0.380339      4.752832
  H     -11.606074      3.868155      3.519707
  H     -12.193078      6.103808      4.531477
  H     -11.264273      6.738107      6.754848
  H      -9.765787      5.170334      7.970761
  N      -3.533465      3.957335      3.142026
  H      -2.657063      4.439047      2.996330
  H      -4.256122      4.546179      2.762312
  H      -3.514106      3.113957      2.564457
  N      -5.933744      3.612739      4.784504
  N      -7.014313      3.784812      4.389302
101
Coordinates from ORCA-job orca E -6314.505521252158
  N      -3.474530      1.618747      4.712254
  Mo     -4.109766      3.400146      5.442478
  N      -4.566726      2.894716      7.304059
  C      -3.479999      2.851897      8.272535
  C      -2.202646      2.414840      7.560732
  N      -2.040899      3.206357      6.305003
  C      -1.258506      2.475713      5.281504
  C      -2.065674      1.289447      4.736100
  C      -1.491461      4.560088      6.589224
  C      -2.164669      5.597648      5.688285
  N      -3.594023      5.355216      5.673245
  H      -1.686122      1.052602      3.719857
  H      -1.860681      0.384970      5.346420
  H      -1.055651      3.195158      4.475718
  H      -0.286984      2.141501      5.691863
  H      -1.919787      6.605134      6.070245
  H      -1.721131      5.549972      4.670527
  H      -1.739862      4.799821      7.632315
  H      -0.390490      4.556114      6.492204
  H      -3.690086      2.133844      9.087501
  H      -3.321357      3.836347      8.760960
  H      -2.304462      1.360914      7.273265
  H      -1.307788      2.521224      8.200020
  C      -4.290014      0.890404      3.765223
  C      -4.459592     -0.621675      4.046147
  C      -5.808498     -1.159883      3.500282
  C      -6.176826     -0.578384      2.162847
  N      -7.092418      0.375154      2.177484
  C      -7.377461      1.001043      1.003570
  N      -6.850823      0.782705     -0.181051
  C      -5.922383     -0.217273     -0.231579
  C      -5.328800     -0.526315     -1.476784
  C      -4.394459     -1.539181     -1.558169
  C      -4.019288     -2.277098     -0.403542
  C      -4.583764     -1.994098      0.823989
  C      -5.543340     -0.957986      0.938469
  C      -4.445863      6.429622      6.149205
  C      -4.406680      7.720385      5.306349
  C      -4.668141      7.504762      3.817659
  C      -6.061162      7.054054      3.464488
  N      -7.030693      7.316178      4.322719
  C      -8.284170      6.915077      3.990180
  N      -8.659649      6.225242      2.937232
  C      -7.672804      5.910700      2.052284
  C      -7.986571      5.117857      0.923673
  C      -7.014338      4.817808     -0.009117
  C      -5.703341      5.322501      0.134783
  C      -5.368378      6.086641      1.235632
  C      -6.334024      6.366970      2.237998
  C      -5.862091      2.404319      7.749442
  C      -6.860582      3.494755      8.158898
  C      -8.291120      2.933429      8.339982
  C      -8.953513      2.652091      7.019517
  N      -8.670345      1.502410      6.434549
  C      -9.211709      1.286060      5.206508
  N     -10.033725      2.065762      4.521043
  C     -10.353170      3.230212      5.112978
  C     -11.218579      4.106942      4.432461
  C     -11.527910      5.347981      4.984136
  C     -10.993811      5.721630      6.241066
  C     -10.154096      4.845494      6.936661
  C      -9.818676      3.594994      6.388589
  H      -3.898031      0.997919      2.724301
  H      -5.291201      1.356351      3.763220
  H      -4.444165     -0.788842      5.133891
  H      -3.613552     -1.186820      3.616604
  H      -5.784812     -2.259678      3.456571
  H      -6.607924     -0.863102      4.190975
  H      -8.152784      1.793841      1.072282
  H      -5.640550      0.050175     -2.356435
  H      -3.944892     -1.775414     -2.523119
  H      -3.285333     -3.079543     -0.489193
  H      -4.301275     -2.567234      1.712306
  H      -5.478866      6.056124      6.172904
  H      -4.191198      6.712357      7.193677
  H      -3.421841      8.203321      5.410455
  H      -5.149225      8.418167      5.719919
  H      -4.473857      8.445253      3.271476
  H      -3.942964      6.776809      3.428712
  H      -9.068880      7.202956      4.696107
  H      -9.009663      4.752777      0.828109
  H      -7.253623      4.187493     -0.867343
  H      -4.953378      5.104231     -0.631407
  H      -4.356572      6.481072      1.331868
  H      -5.733837      1.706630      8.601293
  H      -6.317832      1.816966      6.937504
  H      -6.539489      3.978131      9.097900
  H      -6.867663      4.274526      7.381566
  H      -8.247591      1.994213      8.909476
  H      -8.890375      3.644758      8.924518
  H      -8.918898      0.319626      4.739138
  H     -11.601591      3.795326      3.458331
  H     -12.178379      6.035670      4.448085
  H     -11.234211      6.689069      6.662106
  H      -9.735815      5.141236      7.899095
  N      -3.524634      3.982163      3.130974
  H      -2.639179      4.496378      2.970236
  H      -4.287251      4.568863      2.741914
  H      -3.493100      3.136562      2.558511
  N      -5.928773      3.615287      4.784462
  N      -6.989852      3.776200      4.388645
101
Coordinates from ORCA-job orca E -6314.502853265726
  N      -3.495273      1.625829      4.691767
  Mo     -4.115012      3.408178      5.435315
  N      -4.574272      2.903843      7.296879
  C      -3.487065      2.850550      8.263615
  C      -2.213630      2.405648      7.550814
  N      -2.047906      3.197726      6.298377
  C      -1.271623      2.461902      5.274051
  C      -2.088133      1.281639      4.726389
  C      -1.492134      4.547335      6.586002
  C      -2.158256      5.590884      5.686534
  N      -3.589641      5.358139      5.667361
  H      -1.702619      1.040507      3.710475
  H      -1.895692      0.371812      5.338177
  H      -1.064210      3.179377      4.468231
  H      -0.302268      2.120744      5.683032
  H      -1.908127      6.595577      6.073251
  H      -1.714647      5.543967      4.669314
  H      -1.740363      4.786266      7.628819
  H      -0.391349      4.537492      6.491406
  H      -3.699880      2.130281      9.075023
  H      -3.320984      3.831220      8.759261
  H      -2.323189      1.353260      7.258157
  H      -1.316933      2.502591      8.189650
  C      -4.305885      0.899815      3.741991
  C      -4.477302     -0.603338      4.025071
  C      -5.818555     -1.128730      3.475680
  C      -6.178828     -0.562129      2.131834
  N      -7.113951      0.373090      2.123144
  C      -7.408536      0.978015      0.938770
  N      -6.863769      0.755088     -0.228534
  C      -5.916772     -0.225850     -0.256094
  C      -5.292319     -0.539767     -1.481538
  C      -4.334984     -1.528960     -1.536711
  C      -3.965347     -2.246012     -0.371637
  C      -4.554855     -1.958820      0.835683
  C      -5.535563     -0.944421      0.924165
  C      -4.432036      6.440299      6.145296
  C      -4.384690      7.728620      5.300632
  C      -4.649020      7.509980      3.811672
  C      -6.051083      7.067315      3.463118
  N      -7.031969      7.349009      4.328960
  C      -8.295818      6.954280      4.004131
  N      -8.673107      6.248060      2.950174
  C      -7.678417      5.909247      2.058618
  C      -7.995603      5.089229      0.935364
  C      -7.016597      4.769214     -0.003076
  C      -5.698880      5.279424      0.132065
  C      -5.359084      6.064918      1.228823
  C      -6.329832      6.365092      2.236925
  C      -5.867539      2.415819      7.747788
  C      -6.863688      3.503946      8.170635
  C      -8.293819      2.937842      8.359008
  C      -8.969116      2.653078      7.043206
  N      -8.696363      1.478904      6.450553
  C      -9.244395      1.219941      5.230058
  N     -10.064584      2.001408      4.555489
  C     -10.374242      3.225827      5.145819
  C     -11.231515      4.133247      4.467147
  C     -11.531631      5.318973      5.026369
  C     -10.990719      5.698134      6.277689
  C     -10.161566      4.880986      6.958080
  C      -9.831957      3.607784      6.417258
  H      -3.910550      1.005830      2.702032
  H      -5.302592      1.362000      3.734444
  H      -4.463498     -0.766355      5.114298
  H      -3.640687     -1.169858      3.602564
  H      -5.802522     -2.216894      3.436373
  H      -6.611332     -0.827606      4.161191
  H      -8.159834      1.750093      0.984605
  H      -5.595267      0.018127     -2.370776
  H      -3.852880     -1.771159     -2.488807
  H      -3.202447     -3.033762     -0.439673
  H      -4.264794     -2.516128      1.732218
  H      -5.469030      6.075868      6.172480
  H      -4.172154      6.721292      7.189568
  H      -3.394650      8.204173      5.404093
  H      -5.121620      8.434432      5.713306
  H      -4.447933      8.447380      3.261504
  H      -3.927268      6.776431      3.422514
  H      -9.081115      7.253787      4.710187
  H      -9.021164      4.720250      0.848109
  H      -7.257494      4.120604     -0.852274
  H      -4.948552      5.047763     -0.632899
  H      -4.342670      6.458307      1.318108
  H      -5.735757      1.713760      8.593737
  H      -6.328313      1.833546      6.938474
  H      -6.537834      3.976015      9.109364
  H      -6.875010      4.288422      7.400163
  H      -8.237148      1.991009      8.921288
  H      -8.893632      3.639548      8.953913
  H      -8.963152      0.298183      4.752984
  H     -11.623534      3.836732      3.494084
  H     -12.182113      6.015883      4.492164
  H     -11.231636      6.688579      6.696493
  H      -9.742917      5.204936      7.913865
  N      -3.518413      3.984974      3.130873
  H      -2.636612      4.481513      2.981621
  H      -4.261655      4.575814      2.743060
  H      -3.489525      3.140481      2.551624
  N      -5.926606      3.634790      4.775322
  N      -6.988113      3.801438      4.374033
101
Coordinates from ORCA-job orca E -6314.506782867659
  N      -3.497297      1.621683      4.690538
  Mo     -4.113264      3.400749      5.433639
  N      -4.574946      2.897951      7.293064
  C      -3.489859      2.849938      8.260856
  C      -2.216417      2.405721      7.552369
  N      -2.050663      3.195104      6.299464
  C      -1.274557      2.458657      5.277260
  C      -2.090168      1.272300      4.738999
  C      -1.494885      4.545905      6.582065
  C      -2.159748      5.585648      5.678686
  N      -3.590752      5.351209      5.659253
  H      -1.697011      1.016537      3.727437
  H      -1.905897      0.367776      5.364274
  H      -1.072685      3.174568      4.467241
  H      -0.301255      2.123985      5.684258
  H      -1.910224      6.591741      6.060415
  H      -1.715038      5.534606      4.662952
  H      -1.743179      4.788457      7.623354
  H      -0.393988      4.535969      6.487473
  H      -3.704119      2.133258      9.073827
  H      -3.324998      3.832363      8.750677
  H      -2.324315      1.352694      7.263292
  H      -1.321687      2.507560      8.190724
  C      -4.302027      0.888239      3.738201
  C      -4.468537     -0.615408      4.019247
  C      -5.817117     -1.160681      3.471234
  C      -6.194315     -0.571401      2.133110
  N      -7.145786      0.366080      2.132755
  C      -7.419917      0.978745      0.951026
  N      -6.841546      0.759976     -0.223380
  C      -5.893812     -0.224433     -0.256745
  C      -5.252412     -0.536633     -1.482638
  C      -4.312293     -1.526604     -1.534750
  C      -3.966665     -2.245386     -0.371716
  C      -4.564854     -1.959464      0.835718
  C      -5.535797     -0.945363      0.921483
  C      -4.436702      6.430929      6.137480
  C      -4.393035      7.721435      5.293000
  C      -4.654905      7.509970      3.799825
  C      -6.052745      7.061953      3.438157
  N      -7.037557      7.329299      4.291468
  C      -8.296310      6.932760      3.948019
  N      -8.661661      6.231628      2.891454
  C      -7.662868      5.910216      2.014779
  C      -7.969946      5.106063      0.887388
  C      -6.997210      4.823386     -0.041296
  C      -5.687599      5.345579      0.108568
  C      -5.353173      6.105302      1.211301
  C      -6.322115      6.376417      2.208588
  C      -5.871099      2.424315      7.745567
  C      -6.858982      3.508218      8.192941
  C      -8.280429      2.923082      8.389587
  C      -8.962266      2.658925      7.074610
  N      -8.687105      1.494451      6.483200
  C      -9.241075      1.266742      5.262332
  N     -10.068793      2.043184      4.587183
  C     -10.385059      3.241215      5.178022
  C     -11.259349      4.119400      4.506495
  C     -11.567597      5.349481      5.059604
  C     -11.023309      5.730700      6.308002
  C     -10.179745      4.876734      6.993593
  C      -9.837357      3.616545      6.447926
  H      -3.901138      0.992631      2.700304
  H      -5.301931      1.344058      3.720957
  H      -4.455589     -0.774247      5.108311
  H      -3.621957     -1.179204      3.601478
  H      -5.777287     -2.268578      3.419324
  H      -6.633003     -0.882033      4.169688
  H      -8.201312      1.747128      0.995659
  H      -5.536024      0.022228     -2.369487
  H      -3.823093     -1.766168     -2.481292
  H      -3.220107     -3.029753     -0.433918
  H      -4.293050     -2.518220      1.729334
  H      -5.472553      6.062634      6.160943
  H      -4.180158      6.710116      7.183154
  H      -3.403493      8.197648      5.397557
  H      -5.131824      8.423914      5.708649
  H      -4.455708      8.451641      3.255076
  H      -3.927654      6.781509      3.408829
  H      -9.086151      7.220448      4.646160
  H      -8.988069      4.723409      0.788997
  H      -7.232914      4.192070     -0.897406
  H      -4.939260      5.140522     -0.652092
  H      -4.341823      6.507011      1.311220
  H      -5.738744      1.714094      8.584803
  H      -6.340910      1.853957      6.934587
  H      -6.521915      3.965916      9.132101
  H      -6.883499      4.303716      7.433624
  H      -8.202197      1.965843      8.932446
  H      -8.886148      3.602667      9.004117
  H      -8.956275      0.320075      4.790659
  H     -11.656301      3.809849      3.538161
  H     -12.227690      6.037787      4.526652
  H     -11.270967      6.706888      6.728779
  H      -9.759060      5.182823      7.950657
  N      -3.505255      3.970462      3.137753
  H      -2.630163      4.459481      2.999936
  H      -4.231416      4.557638      2.748056
  H      -3.473106      3.125205      2.562033
  N      -5.925244      3.613225      4.752637
  N      -6.996158      3.765159      4.329853
101
Coordinates from ORCA-job orca E -6314.505622444924
  N      -3.488510      1.611017      4.702327
  Mo     -4.118369      3.395653      5.435817
  N      -4.575276      2.896021      7.299190
  C      -3.487286      2.855452      8.269067
  C      -2.209926      2.412207      7.558011
  N      -2.048421      3.198837      6.299438
  C      -1.269667      2.460979      5.274849
  C      -2.081591      1.275005      4.734254
  C      -1.496110      4.551708      6.580645
  C      -2.170161      5.589018      5.677478
  N      -3.600733      5.349407      5.662494
  H      -1.698633      1.030878      3.722332
  H      -1.883744      0.373364      5.348380
  H      -1.069712      3.175863      4.464726
  H      -0.294905      2.127486      5.683414
  H      -1.922990      6.597112      6.057522
  H      -1.728464      5.538652      4.658800
  H      -1.741814      4.794546      7.624887
  H      -0.394759      4.545151      6.482348
  H      -3.697450      2.140413      9.086904
  H      -3.326158      3.841855      8.756156
  H      -2.313536      1.357452      7.273027
  H      -1.312892      2.519284      8.197375
  C      -4.300989      0.881782      3.757660
  C      -4.473918     -0.624226      4.037883
  C      -5.819177     -1.153682      3.483165
  C      -6.175888     -0.573442      2.146786
  N      -7.107296      0.375656      2.156033
  C      -7.383832      0.994325      0.982124
  N      -6.836628      0.770513     -0.201226
  C      -5.890556     -0.226683     -0.246061
  C      -5.276627     -0.541609     -1.485350
  C      -4.308127     -1.549142     -1.554731
  C      -3.925805     -2.274806     -0.397273
  C      -4.516431     -1.985583      0.823950
  C      -5.511902     -0.955580      0.926803
  C      -4.450568      6.425941      6.137295
  C      -4.413735      7.715862      5.291430
  C      -4.679546      7.504728      3.803270
  C      -6.071085      7.056198      3.452012
  N      -7.036177      7.318216      4.309597
  C      -8.289095      6.917229      3.980671
  N      -8.666772      6.230354      2.932277
  C      -7.683715      5.916076      2.050636
  C      -7.997340      5.118196      0.930165
  C      -7.028495      4.810243      0.000427
  C      -5.720676      5.315772      0.138673
  C      -5.385580      6.084294      1.231974
  C      -6.346590      6.369992      2.231945
  C      -5.868115      2.403233      7.747834
  C      -6.865929      3.493610      8.165440
  C      -8.292832      2.923603      8.349946
  C      -8.963647      2.646024      7.032597
  N      -8.697843      1.496999      6.434097
  C      -9.246440      1.290744      5.210391
  N     -10.056476      2.073174      4.539568
  C     -10.362447      3.244491      5.142035
  C     -11.223313      4.166123      4.472523
  C     -11.519302      5.400863      5.041006
  C     -10.977530      5.754871      6.296587
  C     -10.143981      4.871951      6.975500
  C      -9.820168      3.599256      6.415728
  H      -3.909122      0.987606      2.715571
  H      -5.296464      1.346297      3.754688
  H      -4.463379     -0.788903      5.125527
  H      -3.628003     -1.191737      3.611716
  H      -5.801694     -2.249697      3.435949
  H      -6.617609     -0.855795      4.167227
  H      -8.147767      1.778237      1.039598
  H      -5.594850      0.025755     -2.367098
  H      -3.850335     -1.788632     -2.508989
  H      -3.181972     -3.067618     -0.469568
  H      -4.232960     -2.548683      1.712824
  H      -5.483605      6.053264      6.163646
  H      -4.193309      6.709260      7.180675
  H      -3.429309      8.196220      5.392698
  H      -5.153024      8.414046      5.706537
  H      -4.487059      8.446557      3.259190
  H      -3.956120      6.779910      3.411576
  H      -9.070196      7.197078      4.689718
  H      -9.017077      4.750502      0.839839
  H      -7.265952      4.172331     -0.852319
  H      -4.972183      5.090250     -0.627501
  H      -4.374900      6.475768      1.323528
  H      -5.733950      1.702881      8.598433
  H      -6.327907      1.816041      6.935738
  H      -6.538952      3.975977      9.107421
  H      -6.878763      4.278513      7.388800
  H      -8.240638      1.980589      8.913343
  H      -8.893013      3.626745      8.941302
  H      -8.967140      0.332434      4.732181
  H     -11.614257      3.879665      3.497688
  H     -12.163522      6.107015      4.513440
  H     -11.207535      6.723351      6.728323
  H      -9.719967      5.161962      7.936078
  N      -3.529343      3.967740      3.126947
  H      -2.648411      4.484829      2.966524
  H      -4.293325      4.546309      2.738143
  H      -3.490136      3.121634      2.555002
  N      -5.926506      3.606106      4.773809
  N      -6.993228      3.776786      4.380714
101
Coordinates from ORCA-job orca E -6314.507471267299
  N      -3.496121      1.616222      4.697846
  Mo     -4.120519      3.394078      5.440697
  N      -4.577262      2.894302      7.301912
  C      -3.491422      2.850761      8.271203
  C      -2.216053      2.408724      7.561496
  N      -2.054802      3.196691      6.305427
  C      -1.279298      2.461489      5.280336
  C      -2.090088      1.268915      4.753390
  C      -1.502612      4.549435      6.586301
  C      -2.172897      5.586774      5.682658
  N      -3.602974      5.348026      5.664345
  H      -1.694171      1.002302      3.748344
  H      -1.905846      0.374949      5.389021
  H      -1.090664      3.175259      4.465443
  H      -0.299833      2.135386      5.681605
  H      -1.925477      6.594113      6.063689
  H      -1.729013      5.536985      4.665720
  H      -1.749691      4.792278      7.628925
  H      -0.401837      4.542735      6.489985
  H      -3.703193      2.134070      9.086028
  H      -3.329186      3.835242      8.760108
  H      -2.320488      1.354459      7.275784
  H      -1.320262      2.515042      8.199796
  C      -4.299067      0.876987      3.749932
  C      -4.454252     -0.631968      4.032466
  C      -5.796289     -1.177592      3.481041
  C      -6.169170     -0.594583      2.146868
  N      -7.116026      0.335678      2.159382
  C      -7.412142      0.954993      0.986050
  N      -6.866690      0.749007     -0.196314
  C      -5.903700     -0.228261     -0.244305
  C      -5.280001     -0.522909     -1.484527
  C      -4.300454     -1.511048     -1.559021
  C      -3.916563     -2.238417     -0.404267
  C      -4.512483     -1.968786      0.817967
  C      -5.512728     -0.957799      0.925795
  C      -4.451549      6.424565      6.141246
  C      -4.415853      7.713543      5.294840
  C      -4.689787      7.499928      3.806854
  C      -6.086502      7.050720      3.466041
  N      -7.047965      7.318962      4.331935
  C      -8.307473      6.923359      4.011600
  N      -8.693975      6.229145      2.967364
  C      -7.715779      5.906948      2.078490
  C      -8.041541      5.104476      0.962704
  C      -7.081006      4.798869      0.022638
  C      -5.769704      5.308783      0.146239
  C      -5.421700      6.078138      1.236057
  C      -6.374203      6.362851      2.246742
  C      -5.872796      2.410157      7.748972
  C      -6.867454      3.499530      8.173526
  C      -8.293388      2.923139      8.354827
  C      -8.958221      2.655166      7.032191
  N      -8.713519      1.488394      6.452024
  C      -9.256590      1.273587      5.225623
  N     -10.045116      2.067809      4.535891
  C     -10.327624      3.262180      5.118302
  C     -11.161769      4.185455      4.428530
  C     -11.433867      5.427530      4.976587
  C     -10.892258      5.789292      6.231807
  C     -10.085062      4.902000      6.930927
  C      -9.786212      3.623483      6.392275
  H      -3.902801      0.983726      2.709798
  H      -5.301328      1.330619      3.739785
  H      -4.442073     -0.794571      5.120811
  H      -3.601739     -1.190672      3.609906
  H      -5.764126     -2.274181      3.430393
  H      -6.597146     -0.893941      4.170615
  H      -8.195580      1.721769      1.045618
  H      -5.598480      0.044643     -2.364253
  H      -3.826677     -1.735500     -2.516375
  H      -3.153424     -3.018066     -0.482070
  H      -4.220395     -2.533222      1.704971
  H      -5.485064      6.052503      6.169354
  H      -4.192107      6.707497      7.184512
  H      -3.428814      8.192183      5.391668
  H      -5.152585      8.413886      5.713109
  H      -4.501538      8.441682      3.260592
  H      -3.967315      6.775069      3.409746
  H      -9.085309      7.215420      4.722351
  H      -9.063677      4.734579      0.883497
  H      -7.328213      4.160400     -0.826092
  H      -5.029853      5.086937     -0.627717
  H      -4.408910      6.472363      1.316575
  H      -5.743048      1.706276      8.595633
  H      -6.334172      1.828483      6.935982
  H      -6.541767      3.972680      9.117166
  H      -6.880568      4.288403      7.403306
  H      -8.232247      1.971113      8.903458
  H      -8.899981      3.612464      8.957420
  H      -8.997204      0.310822      4.762421
  H     -11.552591      3.890306      3.454616
  H     -12.058552      6.138118      4.433331
  H     -11.103355      6.773866      6.646401
  H      -9.661824      5.198511      7.891004
  N      -3.533972      3.971048      3.131290
  H      -2.660170      4.495614      2.973951
  H      -4.299671      4.540697      2.739364
  H      -3.483951      3.122283      2.563383
  N      -5.930175      3.598030      4.769946
  N      -6.994583      3.750135      4.360930
101
Coordinates from ORCA-job orca E -6314.505082754149
  N      -3.475375      1.620964      4.669888
  Mo     -4.098378      3.409693      5.414216
  N      -4.565094      2.901818      7.271881
  C      -3.478865      2.846469      8.242840
  C      -2.200254      2.400541      7.532686
  N      -2.031350      3.196233      6.280053
  C      -1.256343      2.460647      5.250120
  C      -2.071449      1.279812      4.707389
  C      -1.473794      4.544322      6.571746
  C      -2.144069      5.593955      5.678555
  N      -3.574357      5.358751      5.662804
  H      -1.687644      1.034026      3.699623
  H      -1.879781      0.379198      5.321507
  H      -1.060540      3.178824      4.442047
  H      -0.281438      2.121461      5.650798
  H      -1.894563      6.598365      6.069179
  H      -1.703034      5.552226      4.657374
  H      -1.718036      4.779303      7.618349
  H      -0.372772      4.533168      6.472584
  H      -3.694138      2.127519      9.057112
  H      -3.314059      3.829455      8.736198
  H      -2.306197      1.346932      7.240543
  H      -1.306091      2.498546      8.175531
  C      -4.292577      0.900925      3.722919
  C      -4.480955     -0.605403      4.000837
  C      -5.828648     -1.146547      3.443822
  C      -6.189410     -0.586412      2.092480
  N      -7.135716      0.359738      2.059172
  C      -7.377795      0.940004      0.866402
  N      -6.777404      0.684039     -0.290983
  C      -5.841144     -0.306123     -0.290507
  C      -5.190290     -0.656488     -1.493647
  C      -4.254276     -1.650383     -1.508944
  C      -3.919076     -2.339639     -0.331351
  C      -4.530520     -2.017179      0.853804
  C      -5.507043     -0.996381      0.902325
  C      -4.419944      6.432821      6.156855
  C      -4.390619      7.737633      5.334035
  C      -4.674749      7.547762      3.846188
  C      -6.076051      7.097495      3.507693
  N      -7.050068      7.348870      4.382846
  C      -8.310009      6.940071      4.059910
  N      -8.686357      6.248879      2.996380
  C      -7.699492      5.939853      2.099152
  C      -8.014812      5.130464      0.970451
  C      -7.043038      4.831804      0.034689
  C      -5.732707      5.354317      0.174064
  C      -5.394927      6.131301      1.273272
  C      -6.357903      6.408761      2.280085
  C      -5.857016      2.406404      7.720702
  C      -6.851368      3.496015      8.140813
  C      -8.284733      2.942128      8.337112
  C      -8.993773      2.674394      7.033215
  N      -8.750034      1.494564      6.440052
  C      -9.340579      1.263778      5.234852
  N     -10.177291      2.048351      4.579448
  C     -10.458711      3.265013      5.168269
  C     -11.330123      4.143642      4.514188
  C     -11.595326      5.386367      5.058593
  C     -11.003961      5.781296      6.282879
  C     -10.161225      4.931171      6.950897
  C      -9.866723      3.649378      6.417399
  H      -3.898953      1.008856      2.680071
  H      -5.284195      1.372527      3.725405
  H      -4.478026     -0.769888      5.090407
  H      -3.635456     -1.174509      3.581321
  H      -5.796085     -2.258845      3.411959
  H      -6.651102     -0.847076      4.126776
  H      -8.136982      1.713040      0.886581
  H      -5.461202     -0.121889     -2.393114
  H      -3.761229     -1.919890     -2.439053
  H      -3.170089     -3.132021     -0.366498
  H      -4.272143     -2.553360      1.760690
  H      -5.454024      6.061114      6.185422
  H      -4.155692      6.700446      7.203585
  H      -3.402798      8.216880      5.432439
  H      -5.125725      8.430858      5.769858
  H      -4.488519      8.497974      3.311540
  H      -3.952523      6.826380      3.432970
  H      -9.083665      7.195770      4.780985
  H      -9.034502      4.751776      0.880110
  H      -7.281641      4.190633     -0.818775
  H      -4.987352      5.139013     -0.589483
  H      -4.384096      6.535481      1.364022
  H      -5.721186      1.707661      8.568895
  H      -6.317610      1.822262      6.913190
  H      -6.521702      3.970682      9.076346
  H      -6.858080      4.276827      7.368063
  H      -8.233421      1.996629      8.898730
  H      -8.867635      3.650283      8.942085
  H      -9.080620      0.295909      4.760440
  H     -11.760402      3.827885      3.561251
  H     -12.255578      6.084895      4.534694
  H     -11.217995      6.767291      6.697458
  H      -9.702698      5.242012      7.888838
  N      -3.490554      3.995612      3.113123
  H      -2.633953      4.507767      2.979356
  H      -4.227350      4.556055      2.712833
  H      -3.427207      3.148688      2.542121
  N      -5.914261      3.632276      4.752177
  N      -6.998902      3.792614      4.361540
101
Coordinates from ORCA-job orca E -6314.507027999164
  N      -3.459375      1.618075      4.671320
  Mo     -4.089706      3.408186      5.402974
  N      -4.565064      2.904810      7.261378
  C      -3.482993      2.854128      8.236091
  C      -2.201687      2.407692      7.533763
  N      -2.026663      3.199028      6.278737
  C      -1.243934      2.461316      5.258033
  C      -2.054290      1.281153      4.708656
  C      -1.470494      4.548930      6.566360
  C      -2.138241      5.594599      5.667295
  N      -3.568300      5.357543      5.649640
  H      -1.668799      1.040270      3.699532
  H      -1.860654      0.378431      5.320281
  H      -1.037507      3.179079      4.452390
  H      -0.275210      2.120687      5.668892
  H      -1.891421      6.600430      6.054969
  H      -1.693890      5.549930      4.647841
  H      -1.718414      4.787809      7.610978
  H      -0.369210      4.538325      6.470185
  H      -3.701864      2.138850      9.052522
  H      -3.321259      3.839258      8.724069
  H      -2.305194      1.352980      7.246342
  H      -1.311344      2.509259      8.180002
  C      -4.274065      0.893317      3.723402
  C      -4.459387     -0.618832      4.008369
  C      -5.811263     -1.164709      3.453110
  C      -6.173965     -0.604019      2.100951
  N      -7.105433      0.350786      2.071469
  C      -7.360480      0.939972      0.879094
  N      -6.780687      0.684630     -0.282206
  C      -5.850033     -0.315100     -0.285999
  C      -5.199464     -0.663469     -1.496792
  C      -4.264946     -1.669534     -1.520640
  C      -3.940020     -2.369054     -0.344037
  C      -4.552205     -2.048179      0.849571
  C      -5.512294     -1.015993      0.906519
  C      -4.414360      6.428363      6.150859
  C      -4.383471      7.738299      5.336500
  C      -4.657499      7.554850      3.846015
  C      -6.052825      7.098303      3.497293
  N      -7.028376      7.340540      4.365049
  C      -8.284874      6.933924      4.029723
  N      -8.658329      6.260993      2.958486
  C      -7.667546      5.961227      2.068928
  C      -7.978696      5.174767      0.930556
  C      -6.996921      4.873718      0.004259
  C      -5.680446      5.372927      0.162649
  C      -5.350644      6.136120      1.269041
  C      -6.324432      6.416272      2.265993
  C      -5.859258      2.410692      7.707985
  C      -6.853020      3.504300      8.120162
  C      -8.287170      2.958318      8.323731
  C      -9.007366      2.688544      7.027388
  N      -8.748832      1.527568      6.416707
  C      -9.355097      1.292087      5.220679
  N     -10.221084      2.060777      4.590429
  C     -10.519155      3.261206      5.199593
  C     -11.428154      4.133424      4.573279
  C     -11.713532      5.360849      5.142020
  C     -11.107081      5.750659      6.361260
  C     -10.226638      4.904937      7.001646
  C      -9.912231      3.642357      6.441977
  H      -3.875342      0.996697      2.682352
  H      -5.270239      1.365344      3.718725
  H      -4.457741     -0.780876      5.098461
  H      -3.608330     -1.189975      3.592224
  H      -5.780516     -2.277704      3.427823
  H      -6.631998     -0.861295      4.132700
  H      -8.121106      1.722379      0.903537
  H      -5.465344     -0.119126     -2.394537
  H      -3.763703     -1.936767     -2.457279
  H      -3.193905     -3.168782     -0.384844
  H      -4.295147     -2.592424      1.755029
  H      -5.448229      6.056341      6.175697
  H      -4.150894      6.689078      7.199632
  H      -3.397655      8.220516      5.442350
  H      -5.123556      8.426343      5.772396
  H      -4.473332      8.509401      3.318073
  H      -3.929539      6.839387      3.432608
  H      -9.062749      7.180572      4.749059
  H      -9.005159      4.816282      0.824285
  H      -7.232106      4.247359     -0.857819
  H      -4.923366      5.151755     -0.593596
  H      -4.336045      6.527337      1.373313
  H      -5.726464      1.716021      8.560960
  H      -6.317732      1.822866      6.900200
  H      -6.521580      3.985923      9.053857
  H      -6.858174      4.279799      7.341589
  H      -8.239811      2.016435      8.889229
  H      -8.860467      3.672634      8.929497
  H      -9.080782      0.351930      4.727984
  H     -11.869203      3.819183      3.624151
  H     -12.400827      6.047524      4.641804
  H     -11.334643      6.730946      6.794370
  H      -9.757246      5.214465      7.936021
  N      -3.470984      3.989373      3.102124
  H      -2.615775      4.532111      2.965795
  H      -4.227479      4.533016      2.681734
  H      -3.382067      3.135012      2.549574
  N      -5.906775      3.628059      4.738801
  N      -6.986363      3.789775      4.346600
101
Coordinates from ORCA-job orca E -6314.508303015512
  N      -3.491297      1.611043      4.688937
  Mo     -4.106715      3.391963      5.416726
  N      -4.572831      2.907098      7.276838
  C      -3.489471      2.867170      8.246678
  C      -2.213737      2.417776      7.545763
  N      -2.043864      3.192769      6.285425
  C      -1.270112      2.445893      5.271951
  C      -2.086858      1.255486      4.746941
  C      -1.482844      4.543691      6.555139
  C      -2.150370      5.576770      5.647170
  N      -3.582133      5.342817      5.637495
  H      -1.690773      0.983918      3.741424
  H      -1.908728      0.359881      5.385513
  H      -1.070431      3.152246      4.455929
  H      -0.298155      2.116609      5.680126
  H      -1.898536      6.584020      6.022127
  H      -1.710775      5.519548      4.630293
  H      -1.726324      4.795785      7.594924
  H      -0.382020      4.531103      6.456129
  H      -3.706498      2.159699      9.065545
  H      -3.324767      3.853204      8.726107
  H      -2.321211      1.362473      7.270054
  H      -1.320778      2.528328      8.184839
  C      -4.293392      0.868513      3.741406
  C      -4.459019     -0.632152      4.033151
  C      -5.792761     -1.176567      3.465522
  C      -6.144793     -0.605225      2.122482
  N      -7.097027      0.323508      2.114143
  C      -7.374799      0.929904      0.930953
  N      -6.803081      0.713545     -0.240899
  C      -5.842010     -0.261509     -0.267431
  C      -5.205603     -0.568238     -1.493922
  C      -4.242155     -1.553239     -1.544872
  C      -3.870127     -2.268279     -0.379211
  C      -4.471972     -1.987010      0.829812
  C      -5.468858     -0.978314      0.914153
  C      -4.420047      6.418479      6.140019
  C      -4.387513      7.718009      5.310671
  C      -4.676932      7.518598      3.822913
  C      -6.078285      7.068028      3.492696
  N      -7.040094      7.334160      4.365780
  C      -8.304514      6.941443      4.049021
  N      -8.699438      6.259265      2.995896
  C      -7.721443      5.935097      2.101775
  C      -8.055538      5.142280      0.980978
  C      -7.090634      4.825174      0.045569
  C      -5.766686      5.311182      0.178253
  C      -5.413525      6.077417      1.268429
  C      -6.370706      6.376556      2.274352
  C      -5.867320      2.415725      7.722885
  C      -6.865864      3.504635      8.139798
  C      -8.293695      2.933855      8.333880
  C      -8.988947      2.678250      7.023250
  N      -8.747824      1.515462      6.429665
  C      -9.329006      1.298536      5.218658
  N     -10.153939      2.087989      4.557872
  C     -10.431644      3.287517      5.151924
  C     -11.300197      4.195695      4.493055
  C     -11.567769      5.426847      5.050297
  C     -10.984985      5.798146      6.285760
  C     -10.143335      4.927951      6.954839
  C      -9.848698      3.651069      6.408978
  H      -3.892381      0.962436      2.704458
  H      -5.292479      1.325920      3.718164
  H      -4.459923     -0.781455      5.122157
  H      -3.611738     -1.198096      3.627779
  H      -5.764455     -2.273551      3.421179
  H      -6.602414     -0.884946      4.145387
  H      -8.161012      1.692338      0.973168
  H      -5.512939     -0.011198     -2.382901
  H      -3.762385     -1.788631     -2.493012
  H      -3.114095     -3.048419     -0.440490
  H      -4.188380     -2.543144      1.725666
  H      -5.455937      6.051681      6.177032
  H      -4.145750      6.686661      7.184413
  H      -3.396721      8.192881      5.402742
  H      -5.118723      8.416325      5.745707
  H      -4.494564      8.465752      3.282216
  H      -3.956412      6.796780      3.411086
  H      -9.075171      7.216316      4.772974
  H      -9.088625      4.796332      0.894101
  H      -7.344104      4.195484     -0.804724
  H      -5.021507      5.076453     -0.586259
  H      -4.393348      6.458438      1.352467
  H      -5.734163      1.719351      8.575471
  H      -6.325072      1.826513      6.913693
  H      -6.537433      3.981328      9.077548
  H      -6.879265      4.288563      7.365677
  H      -8.231590      1.978477      8.879770
  H      -8.885778      3.624334      8.949038
  H      -9.074996      0.341403      4.742608
  H     -11.722372      3.895635      3.532326
  H     -12.221007      6.128408      4.528887
  H     -11.195674      6.780294      6.708767
  H      -9.692234      5.229365      7.901127
  N      -3.502819      3.954123      3.112950
  H      -2.650422      4.503132      2.971749
  H      -4.262224      4.485369      2.686601
  H      -3.412496      3.091718      2.573795
  N      -5.920806      3.605549      4.749872
  N      -6.994352      3.754010      4.353986
101
Coordinates from ORCA-job orca E -6314.508566385864
  N      -3.474735      1.613325      4.676390
  Mo     -4.107624      3.391327      5.416602
  N      -4.575016      2.890209      7.274662
  C      -3.493299      2.844521      8.249172
  C      -2.213681      2.404234      7.546050
  N      -2.045242      3.194006      6.291828
  C      -1.260754      2.461220      5.270865
  C      -2.067368      1.274647      4.724320
  C      -1.496315      4.547411      6.577044
  C      -2.166215      5.586147      5.674481
  N      -3.595755      5.344434      5.652613
  H      -1.673127      1.027230      3.714600
  H      -1.877526      0.371749      5.344955
  H      -1.059021      3.179953      4.463580
  H      -0.287800      2.127816      5.681591
  H      -1.922352      6.592813      6.059632
  H      -1.720666      5.540315      4.658347
  H      -1.746685      4.787687      7.619433
  H      -0.395115      4.542723      6.483878
  H      -3.709063      2.127619      9.062404
  H      -3.333805      3.828946      8.739739
  H      -2.314823      1.349930      7.257727
  H      -1.321852      2.510098      8.190303
  C      -4.276971      0.871811      3.729760
  C      -4.432197     -0.635592      4.020332
  C      -5.774018     -1.187354      3.473918
  C      -6.147888     -0.620684      2.133051
  N      -7.093187      0.311196      2.130922
  C      -7.384563      0.916774      0.949738
  N      -6.827340      0.696653     -0.225900
  C      -5.870789     -0.282806     -0.258651
  C      -5.242579     -0.594211     -1.490151
  C      -4.278482     -1.583321     -1.547620
  C      -3.904148     -2.297177     -0.384077
  C      -4.498918     -2.011472      0.829696
  C      -5.489788     -0.998726      0.920535
  C      -4.446118      6.409374      6.155925
  C      -4.425507      7.713708      5.333161
  C      -4.707725      7.522288      3.843123
  C      -6.101631      7.057645      3.502184
  N      -7.069218      7.305009      4.373467
  C      -8.326248      6.897822      4.048981
  N      -8.706237      6.218707      2.987755
  C      -7.721095      5.911903      2.093747
  C      -8.038617      5.117151      0.963065
  C      -7.073396      4.828000      0.024208
  C      -5.763619      5.342770      0.164625
  C      -5.423325      6.105411      1.265776
  C      -6.381382      6.374847      2.274812
  C      -5.874808      2.413855      7.718696
  C      -6.860912      3.509346      8.143971
  C      -8.292536      2.950964      8.334859
  C      -8.980385      2.694220      7.021699
  N      -8.744868      1.525282      6.431586
  C      -9.311676      1.315475      5.214027
  N     -10.117042      2.113830      4.544328
  C     -10.391639      3.306372      5.138141
  C     -11.242043      4.225308      4.470482
  C     -11.507898      5.459113      5.028303
  C     -10.941173      5.818575      6.272636
  C     -10.115411      4.942588      6.948265
  C      -9.823847      3.666449      6.401539
  H      -3.879216      0.974505      2.690895
  H      -5.279201      1.324816      3.714105
  H      -4.418622     -0.792423      5.109444
  H      -3.583547     -1.196357      3.601319
  H      -5.739778     -2.285181      3.436219
  H      -6.576899     -0.897313      4.160961
  H      -8.161967      1.684360      0.998522
  H      -5.553709     -0.037403     -2.377175
  H      -3.803745     -1.822287     -2.499561
  H      -3.149954     -3.080223     -0.450395
  H      -4.211683     -2.566365      1.723930
  H      -5.477713      6.031739      6.186045
  H      -4.179669      6.674470      7.202710
  H      -3.440981      8.199049      5.431601
  H      -5.165218      8.401258      5.769535
  H      -4.534384      8.475517      3.310871
  H      -3.977602      6.812811      3.428601
  H      -9.104903      7.157187      4.772427
  H      -9.060873      4.748460      0.871091
  H      -7.314910      4.196313     -0.834554
  H      -5.018678      5.132337     -0.602953
  H      -4.412887      6.506579      1.355575
  H      -5.751904      1.709163      8.564032
  H      -6.338346      1.839080      6.904465
  H      -6.528773      3.979557      9.083437
  H      -6.867084      4.295038      7.373211
  H      -8.240015      1.997717      8.883439
  H      -8.882204      3.648602      8.944399
  H      -9.058524      0.363064      4.740050
  H     -11.651552      3.933426      3.503413
  H     -12.147185      6.170555      4.500301
  H     -11.149793      6.797786      6.696295
  H      -9.675042      5.237669      7.900796
  N      -3.505914      3.973747      3.109628
  H      -2.645576      4.509809      2.967451
  H      -4.265848      4.524115      2.697995
  H      -3.428798      3.120059      2.552880
  N      -5.919975      3.592205      4.749622
  N      -6.989429      3.740622      4.349995
101
Coordinates from ORCA-job orca E -6314.508743416631
  N      -3.484481      1.615436      4.660958
  Mo     -4.109804      3.398580      5.403524
  N      -4.580326      2.902097      7.263348
  C      -3.498192      2.849376      8.238662
  C      -2.220940      2.399260      7.536338
  N      -2.048028      3.188785      6.282097
  C      -1.267698      2.451588      5.259334
  C      -2.079838      1.266509      4.718457
  C      -1.492313      4.539353      6.567623
  C      -2.156828      5.581409      5.663976
  N      -3.587625      5.346981      5.640672
  H      -1.681574      1.007706      3.713146
  H      -1.899544      0.366842      5.346338
  H      -1.069677      3.168328      4.448405
  H      -0.292536      2.117021      5.666266
  H      -1.907997      6.587670      6.048290
  H      -1.711214      5.532528      4.647674
  H      -1.740827      4.781210      7.610791
  H      -0.391221      4.528869      6.473968
  H      -3.718558      2.134923      9.053433
  H      -3.332148      3.833880      8.728965
  H      -2.327758      1.344962      7.247089
  H      -1.328336      2.499097      8.181590
  C      -4.285955      0.873020      3.715554
  C      -4.441916     -0.633739      4.011795
  C      -5.779418     -1.185393      3.452537
  C      -6.139767     -0.628448      2.105177
  N      -7.092592      0.297322      2.084050
  C      -7.371083      0.890073      0.896076
  N      -6.798874      0.662912     -0.268605
  C      -5.837051     -0.310048     -0.281724
  C      -5.190793     -0.628624     -1.500701
  C      -4.221111     -1.611718     -1.538499
  C      -3.863144     -2.313445     -0.366628
  C      -4.475547     -2.020361      0.834854
  C      -5.469041     -1.013108      0.905540
  C      -4.431176      6.414647      6.150104
  C      -4.403814      7.721168      5.332018
  C      -4.686817      7.533224      3.842529
  C      -6.082466      7.073675      3.504003
  N      -7.049447      7.327586      4.376808
  C      -8.310206      6.928755      4.054059
  N      -8.694649      6.252107      2.992574
  C      -7.710502      5.937218      2.099104
  C      -8.033186      5.143027      0.970761
  C      -7.066395      4.840151      0.034594
  C      -5.751803      5.343809      0.174286
  C      -5.408029      6.108915      1.271599
  C      -6.366783      6.390521      2.279022
  C      -5.879770      2.425573      7.711296
  C      -6.865003      3.519234      8.143129
  C      -8.295532      2.959872      8.340454
  C      -8.995501      2.704357      7.034064
  N      -8.761024      1.538199      6.437159
  C      -9.345530      1.318147      5.230731
  N     -10.169354      2.113991      4.578175
  C     -10.442805      3.312543      5.177272
  C     -11.313795      4.216309      4.529883
  C     -11.579722      5.445016      5.093630
  C     -10.991177      5.814621      6.324506
  C     -10.145941      4.944443      6.982650
  C      -9.854624      3.673465      6.429814
  H      -3.886406      0.972416      2.676092
  H      -5.287022      1.326066      3.696756
  H      -4.440198     -0.786251      5.101903
  H      -3.586351     -1.196015      3.604870
  H      -5.747963     -2.282957      3.421000
  H      -6.588269     -0.889581      4.128628
  H      -8.161287      1.651179      0.927820
  H      -5.486948     -0.081439     -2.394236
  H      -3.726241     -1.856423     -2.481206
  H      -3.095982     -3.092847     -0.417551
  H      -4.197306     -2.565870      1.735250
  H      -5.464619      6.042431      6.179758
  H      -4.161829      6.673279      7.197453
  H      -3.417047      8.201012      5.431332
  H      -5.138998      8.411831      5.769966
  H      -4.510843      8.486473      3.311345
  H      -3.959897      6.822333      3.427248
  H      -9.086859      7.190928      4.778901
  H      -9.058157      4.782116      0.879702
  H      -7.310936      4.207803     -0.821000
  H      -5.004973      5.121491     -0.589697
  H      -4.394121      6.501445      1.359559
  H      -5.752479      1.720662      8.555931
  H      -6.346116      1.850983      6.899106
  H      -6.529132      3.986026      9.082189
  H      -6.873949      4.306832      7.374802
  H      -8.237671      2.003853      8.884913
  H      -8.881792      3.653652      8.957414
  H      -9.095469      0.360576      4.752921
  H     -11.740357      3.917615      3.572362
  H     -12.235239      6.146949      4.580108
  H     -11.199859      6.803546      6.750971
  H      -9.689935      5.245451      7.925322
  N      -3.503151      3.975271      3.092981
  H      -2.657866      4.539874      2.951159
  H      -4.280139      4.494609      2.663018
  H      -3.391277      3.114499      2.552196
  N      -5.917867      3.602970      4.733494
  N      -6.985811      3.759306      4.334377
101
Coordinates from ORCA-job orca E -6314.508251778727
  N      -3.469313      1.612947      4.661300
  Mo     -4.095002      3.396550      5.389865
  N      -4.583282      2.907637      7.245979
  C      -3.511024      2.860570      8.228476
  C      -2.230185      2.406307      7.540926
  N      -2.044386      3.189486      6.286674
  C      -1.258360      2.448266      5.276344
  C      -2.065703      1.259770      4.739519
  C      -1.487069      4.540215      6.569569
  C      -2.141711      5.578852      5.657471
  N      -3.572279      5.346876      5.626983
  H      -1.655531      0.988339      3.742369
  H      -1.895753      0.367233      5.379901
  H      -1.055849      3.160005      4.464867
  H      -0.288796      2.118004      5.689781
  H      -1.892200      6.586017      6.037359
  H      -1.689778      5.523190      4.645569
  H      -1.741842      4.787442      7.608253
  H      -0.386079      4.526868      6.483228
  H      -3.740012      2.151693      9.045127
  H      -3.347342      3.847269      8.711075
  H      -2.336305      1.351132      7.257576
  H      -1.344988      2.509277      8.192076
  C      -4.263543      0.861501      3.711929
  C      -4.422209     -0.646580      4.012246
  C      -5.760494     -1.210462      3.452839
  C      -6.124753     -0.634839      2.105728
  N      -7.075767      0.295399      2.092569
  C      -7.344333      0.899817      0.904127
  N      -6.773387      0.682592     -0.265487
  C      -5.823015     -0.293301     -0.286431
  C      -5.184773     -0.602371     -1.510065
  C      -4.225500     -1.587406     -1.554511
  C      -3.868160     -2.301955     -0.384265
  C      -4.471119     -2.018609      0.821450
  C      -5.456076     -1.009345      0.899166
  C      -4.414967      6.413345      6.138189
  C      -4.387857      7.720640      5.321811
  C      -4.674929      7.533845      3.833338
  C      -6.071250      7.071972      3.500294
  N      -7.034592      7.324111      4.377557
  C      -8.296538      6.925332      4.058951
  N      -8.686301      6.255869      2.994503
  C      -7.707525      5.943874      2.097352
  C      -8.037766      5.154894      0.969125
  C      -7.067503      4.829853      0.037537
  C      -5.745262      5.314707      0.178783
  C      -5.398452      6.085276      1.272509
  C      -6.359520      6.385674      2.276865
  C      -5.885968      2.436208      7.687948
  C      -6.867550      3.535885      8.112734
  C      -8.296841      2.977109      8.325932
  C      -9.014904      2.708556      7.029638
  N      -8.789137      1.544628      6.426341
  C      -9.398949      1.316304      5.232043
  N     -10.243217      2.103470      4.599100
  C     -10.507704      3.311772      5.203147
  C     -11.399963      4.215376      4.576660
  C     -11.655312      5.443467      5.145008
  C     -11.034558      5.817914      6.360283
  C     -10.169048      4.956242      6.997340
  C      -9.888440      3.682848      6.440591
  H      -3.854819      0.953886      2.675063
  H      -5.266517      1.316152      3.684043
  H      -4.427054     -0.797147      5.103751
  H      -3.560153     -1.208839      3.610569
  H      -5.712055     -2.323237      3.412497
  H      -6.588623     -0.929939      4.141195
  H      -8.125023      1.661932      0.941280
  H      -5.477380     -0.046193     -2.402251
  H      -3.735511     -1.825836     -2.501446
  H      -3.106733     -3.084463     -0.441443
  H      -4.195172     -2.574274      1.720577
  H      -5.448425      6.040958      6.166911
  H      -4.146179      6.670197      7.185568
  H      -3.400753      8.200965      5.419384
  H      -5.123302      8.409781      5.761672
  H      -4.504487      8.488815      3.303845
  H      -3.947848      6.824633      3.414206
  H      -9.068275      7.181578      4.789658
  H      -9.066880      4.805128      0.877486
  H      -7.315827      4.196936     -0.815470
  H      -4.994454      5.072271     -0.580243
  H      -4.379142      6.464070      1.361049
  H      -5.764613      1.734377      8.535901
  H      -6.350930      1.859457      6.875357
  H      -6.524508      4.013326      9.046974
  H      -6.881102      4.315879      7.334385
  H      -8.232478      2.024459      8.876961
  H      -8.876288      3.675002      8.943960
  H      -9.154856      0.383135      4.745772
  H     -11.851731      3.909873      3.630602
  H     -12.328136      6.142340      4.647045
  H     -11.237122      6.793178      6.792621
  H      -9.689155      5.256751      7.929036
  N      -3.469162      3.969983      3.089115
  H      -2.643510      4.560701      2.957518
  H      -4.249578      4.456800      2.635361
  H      -3.316811      3.104297      2.567015
  N      -5.906943      3.595593      4.712193
  N      -6.977659      3.743438      4.310875
101
Coordinates from ORCA-job orca E -6314.508864042756
  N      -3.443722      1.609612      4.656357
  Mo     -4.087683      3.388483      5.383791
  N      -4.581466      2.884381      7.235603
  C      -3.516415      2.843535      8.224537
  C      -2.228088      2.403083      7.541946
  N      -2.040922      3.191891      6.291198
  C      -1.240110      2.459054      5.285692
  C      -2.035482      1.275508      4.721492
  C      -1.496823      4.546498      6.582147
  C      -2.155927      5.584771      5.670703
  N      -3.584759      5.342661      5.632422
  H      -1.627500      1.035744      3.716768
  H      -1.851340      0.370807      5.338765
  H      -1.021079      3.178720      4.486587
  H      -0.279491      2.122707      5.713023
  H      -1.916171      6.592217      6.056048
  H      -1.699279      5.536495      4.660118
  H      -1.759681      4.787261      7.620517
  H      -0.395158      4.542440      6.502154
  H      -3.743785      2.128563      9.036894
  H      -3.365343      3.829563      8.711922
  H      -2.323956      1.348516      7.254243
  H      -1.347984      2.510299      8.198688
  C      -4.236705      0.861169      3.705642
  C      -4.401310     -0.642906      4.001975
  C      -5.742841     -1.192369      3.459540
  C      -6.116029     -0.631869      2.112682
  N      -7.057516      0.305691      2.099490
  C      -7.346472      0.903240      0.911521
  N      -6.788381      0.671001     -0.259359
  C      -5.831953     -0.314468     -0.280539
  C      -5.188852     -0.639035     -1.505561
  C      -4.232484     -1.631855     -1.549300
  C      -3.881873     -2.338350     -0.378718
  C      -4.485362     -2.039849      0.829135
  C      -5.463552     -1.022358      0.906135
  C      -4.439588      6.397186      6.147492
  C      -4.425373      7.707319      5.334844
  C      -4.707056      7.522486      3.844135
  C      -6.096905      7.045707      3.501658
  N      -7.065990      7.278396      4.376522
  C      -8.320676      6.865036      4.049968
  N      -8.699833      6.205270      2.975632
  C      -7.715553      5.917816      2.076767
  C      -8.036965      5.149822      0.932666
  C      -7.063540      4.854546     -0.001954
  C      -5.744577      5.343313      0.154951
  C      -5.405207      6.091249      1.265127
  C      -6.372001      6.368100      2.269217
  C      -5.887044      2.418973      7.670547
  C      -6.858195      3.521727      8.110862
  C      -8.289739      2.972209      8.327528
  C      -9.013644      2.723831      7.030644
  N      -8.793038      1.563639      6.418440
  C      -9.402846      1.363735      5.217920
  N     -10.238987      2.162907      4.587169
  C     -10.499646      3.354866      5.203503
  C     -11.384075      4.268541      4.581546
  C     -11.637502      5.491385      5.163995
  C     -11.022267      5.847163      6.389090
  C     -10.162499      4.974202      7.020031
  C      -9.883707      3.707761      6.448552
  H      -3.827973      0.957171      2.669194
  H      -5.240402      1.315563      3.679770
  H      -4.393774     -0.793140      5.092767
  H      -3.554410     -1.209720      3.588559
  H      -5.712370     -2.290522      3.432149
  H      -6.544989     -0.895661      4.146575
  H      -8.119896      1.673288      0.949096
  H      -5.481855     -0.087898     -2.397822
  H      -3.743112     -1.881720     -2.496182
  H      -3.134762     -3.125434     -0.434737
  H      -4.210836     -2.589648      1.728636
  H      -5.469289      6.013943      6.172897
  H      -4.175316      6.653138      7.196573
  H      -3.442984      8.197987      5.435646
  H      -5.169501      8.387140      5.775899
  H      -4.545172      8.481556      3.319279
  H      -3.969950      6.822791      3.423490
  H      -9.096890      7.101659      4.781941
  H      -9.064314      4.795980      0.829677
  H      -7.306952      4.241343     -0.868785
  H      -4.991556      5.124831     -0.606621
  H      -4.388873      6.475683      1.365723
  H      -5.773293      1.704144      8.508555
  H      -6.356421      1.859679      6.849848
  H      -6.506384      3.988355      9.045891
  H      -6.870667      4.308060      7.339672
  H      -8.231294      2.017031      8.872369
  H      -8.862112      3.671065      8.952541
  H      -9.161031      0.415768      4.725263
  H     -11.831449      3.980803      3.627702
  H     -12.304295      6.205333      4.668609
  H     -11.223246      6.824867      6.832048
  H      -9.685769      5.263131      7.958543
  N      -3.451752      3.975766      3.093600
  H      -2.613049      4.545131      2.969672
  H      -4.217114      4.489353      2.650861
  H      -3.319705      3.117772      2.555092
  N      -5.904994      3.575804      4.714340
  N      -6.979467      3.715087      4.312308
101
Coordinates from ORCA-job orca E -6314.508083352096
  N      -3.486315      1.617521      4.643005
  Mo     -4.118418      3.395037      5.391434
  N      -4.591326      2.890008      7.250216
  C      -3.514513      2.839494      8.231786
  C      -2.232908      2.395288      7.532939
  N      -2.059034      3.186891      6.280522
  C      -1.273178      2.454767      5.255950
  C      -2.081689      1.268439      4.709673
  C      -1.507207      4.538168      6.570262
  C      -2.173388      5.580321      5.666051
  N      -3.604677      5.344483      5.637638
  H      -1.675491      1.009367      3.706330
  H      -1.906525      0.367503      5.339520
  H      -1.076015      3.174733      4.445738
  H      -0.295181      2.122022      5.664250
  H      -1.926590      6.586506      6.051456
  H      -1.725828      5.532424      4.650287
  H      -1.758041      4.777263      7.614301
  H      -0.404995      4.530288      6.478870
  H      -3.736439      2.122019      9.043723
  H      -3.354540      3.822776      8.725947
  H      -2.335149      1.341907      7.241444
  H      -1.341952      2.496737      8.181758
  C      -4.281317      0.867695      3.699557
  C      -4.426960     -0.635895      4.002462
  C      -5.759190     -1.205204      3.440835
  C      -6.124989     -0.656762      2.094383
  N      -7.088476      0.259425      2.075562
  C      -7.361902      0.849709      0.889289
  N      -6.775513      0.628306     -0.277922
  C      -5.810825     -0.336645     -0.293644
  C      -5.174231     -0.650848     -1.514522
  C      -4.197459     -1.626008     -1.554256
  C      -3.808447     -2.322402     -0.383074
  C      -4.417826     -2.033188      0.820564
  C      -5.437590     -1.035384      0.892925
  C      -4.452768      6.401542      6.161150
  C      -4.438039      7.711613      5.348039
  C      -4.723628      7.526447      3.857181
  C      -6.114314      7.052021      3.514855
  N      -7.086569      7.298314      4.383449
  C      -8.342640      6.888760      4.056015
  N      -8.717036      6.207980      2.992786
  C      -7.726339      5.900663      2.102076
  C      -8.038642      5.105354      0.969347
  C      -7.074605      4.827249      0.033056
  C      -5.768224      5.349586      0.178359
  C      -5.430134      6.107208      1.281376
  C      -6.389064      6.369141      2.287612
  C      -5.894025      2.421689      7.696761
  C      -6.865024      3.514985      8.160150
  C      -8.295391      2.959172      8.359576
  C      -8.996588      2.738271      7.050154
  N      -8.787127      1.565700      6.456931
  C      -9.373391      1.360873      5.248954
  N     -10.177246      2.171979      4.593573
  C     -10.426099      3.373725      5.190724
  C     -11.279020      4.302695      4.540404
  C     -11.521441      5.539616      5.104431
  C     -10.927228      5.891973      6.337075
  C     -10.098618      4.996135      6.997294
  C      -9.832486      3.719539      6.443936
  H      -3.881298      0.966223      2.661188
  H      -5.284563      1.312278      3.675594
  H      -4.425416     -0.777710      5.092547
  H      -3.566329     -1.194803      3.602889
  H      -5.718214     -2.301549      3.409531
  H      -6.569047     -0.915489      4.113224
  H      -8.164603      1.603835      0.923252
  H      -5.486405     -0.107392     -2.407672
  H      -3.713774     -1.867157     -2.497323
  H      -3.024113     -3.093880     -0.434839
  H      -4.121535     -2.574453      1.720613
  H      -5.483964      6.022033      6.193392
  H      -4.180100      6.655266      7.209206
  H      -3.453243      8.197110      5.445547
  H      -5.176304      8.396364      5.791498
  H      -4.560190      8.484571      3.330329
  H      -3.988092      6.826229      3.436742
  H      -9.124483      7.147061      4.778128
  H      -9.058533      4.729600      0.874320
  H      -7.314283      4.200422     -0.827908
  H      -5.024630      5.149763     -0.587356
  H      -4.422010      6.515018      1.373426
  H      -5.770354      1.696768      8.526399
  H      -6.371844      1.869932      6.876327
  H      -6.517183      3.960158      9.102055
  H      -6.876655      4.316208      7.408407
  H      -8.236880      1.992059      8.880727
  H      -8.877850      3.640126      8.995698
  H      -9.143431      0.397052      4.773215
  H     -11.709801      4.013861      3.582307
  H     -12.162174      6.248588      4.592217
  H     -11.116514      6.885262      6.763324
  H      -9.636946      5.288774      7.940052
  N      -3.509426      3.982379      3.082669
  H      -2.674875      4.572860      2.942459
  H      -4.299257      4.476828      2.640741
  H      -3.368499      3.121931      2.549942
  N      -5.928599      3.583614      4.726293
  N      -6.997939      3.724789      4.322065
101
Coordinates from ORCA-job orca E -6314.509286174904
  N      -3.471362      1.615916      4.640766
  Mo     -4.102890      3.396436      5.377160
  N      -4.592776      2.900308      7.231977
  C      -3.524971      2.852378      8.221486
  C      -2.240391      2.400708      7.535748
  N      -2.053331      3.186199      6.283207
  C      -1.262522      2.448581      5.269923
  C      -2.068506      1.262097      4.723407
  C      -1.499207      4.537039      6.571330
  C      -2.154062      5.576470      5.658003
  N      -3.585690      5.344976      5.621482
  H      -1.653320      0.995047      3.726178
  H      -1.902329      0.365148      5.360283
  H      -1.057789      3.164037      4.460293
  H      -0.291077      2.116436      5.685901
  H      -1.906002      6.583450      6.039435
  H      -1.700241      5.521427      4.646623
  H      -1.756978      4.781742      7.610902
  H      -0.397141      4.525680      6.488381
  H      -3.756128      2.140045      9.034652
  H      -3.365334      3.837501      8.710613
  H      -2.344711      1.346516      7.248185
  H      -1.355111      2.502016      8.190433
  C      -4.261287      0.860734      3.695221
  C      -4.410335     -0.643766      4.004225
  C      -5.742231     -1.210881      3.443126
  C      -6.103176     -0.654044      2.094808
  N      -7.063172      0.265000      2.074151
  C      -7.346009      0.858586      0.884519
  N      -6.773647      0.638569     -0.280978
  C      -5.805311     -0.328157     -0.294796
  C      -5.158676     -0.639436     -1.515110
  C      -4.179693     -1.615777     -1.553806
  C      -3.817684     -2.318153     -0.380994
  C      -4.430382     -2.031864      0.821880
  C      -5.428111     -1.031538      0.893475
  C      -4.430490      6.404005      6.145107
  C      -4.410552      7.713702      5.332570
  C      -4.700250      7.528828      3.843779
  C      -6.093495      7.059240      3.510640
  N      -7.057953      7.306905      4.387513
  C      -8.317813      6.904205      4.069380
  N      -8.705167      6.234795      3.004800
  C      -7.723505      5.925578      2.107013
  C      -8.049096      5.135538      0.976473
  C      -7.082365      4.826524      0.041357
  C      -5.765579      5.323104      0.183305
  C      -5.420353      6.088822      1.280527
  C      -6.378826      6.375445      2.286883
  C      -5.898284      2.433776      7.670279
  C      -6.870909      3.530973      8.124662
  C      -8.298659      2.971126      8.336246
  C      -9.016450      2.730348      7.036736
  N      -8.807781      1.563992      6.430908
  C      -9.417495      1.359400      5.233306
  N     -10.245223      2.170133      4.600505
  C     -10.492485      3.366990      5.210901
  C     -11.370178      4.284871      4.588086
  C     -11.612319      5.512729      5.164780
  C     -10.991393      5.868164      6.384061
  C     -10.138006      4.988395      7.016911
  C      -9.872593      3.714577      6.451783
  H      -3.854439      0.952336      2.658687
  H      -5.264551      1.308053      3.663598
  H      -4.413529     -0.784303      5.095810
  H      -3.549026     -1.205456      3.608945
  H      -5.699896     -2.312178      3.409382
  H      -6.558482     -0.923611      4.121027
  H      -8.136153      1.613708      0.915828
  H      -5.461639     -0.091619     -2.409327
  H      -3.684929     -1.855619     -2.497578
  H      -3.052435     -3.092358     -0.432732
  H      -4.150768     -2.578138      1.722663
  H      -5.462903      6.027965      6.176494
  H      -4.157431      6.655799      7.192997
  H      -3.424261      8.195448      5.428395
  H      -5.145780      8.400907      5.776264
  H      -4.537469      8.486603      3.316594
  H      -3.968875      6.826626      3.421310
  H      -9.090776      7.158811      4.800599
  H      -9.075191      4.777585      0.884801
  H      -7.328586      4.194923     -0.814797
  H      -5.017860      5.094258     -0.578862
  H      -4.404512      6.476184      1.369450
  H      -5.779722      1.711480      8.502451
  H      -6.371375      1.878741      6.847874
  H      -6.519034      3.986861      9.063432
  H      -6.888310      4.326663      7.364070
  H      -8.231326      2.008020      8.866877
  H      -8.878000      3.655393      8.969738
  H      -9.189957      0.403272      4.746802
  H     -11.821504      3.997748      3.638646
  H     -12.273638      6.225928      4.669929
  H     -11.182693      6.848217      6.821486
  H      -9.657422      5.278509      7.950717
  N      -3.475300      3.975654      3.076949
  H      -2.651580      4.568752      2.948702
  H      -4.257911      4.456443      2.623342
  H      -3.315075      3.113724      2.549496
  N      -5.913688      3.583305      4.707990
  N      -6.984339      3.727300      4.313099
101
Coordinates from ORCA-job orca E -6314.509317700024
  N      -3.434495      1.611279      4.636915
  Mo     -4.085687      3.389239      5.363718
  N      -4.593054      2.880512      7.211710
  C      -3.538238      2.838790      8.212499
  C      -2.244558      2.397025      7.540315
  N      -2.047445      3.187218      6.292750
  C      -1.237870      2.456926      5.290852
  C      -2.028092      1.274494      4.718356
  C      -1.506078      4.542042      6.590451
  C      -2.157015      5.581417      5.673348
  N      -3.586475      5.342497      5.621953
  H      -1.608175      1.032234      3.719127
  H      -1.853317      0.370327      5.338969
  H      -1.014631      3.178559      4.494278
  H      -0.278933      2.120677      5.724155
  H      -1.917949      6.589040      6.059090
  H      -1.692910      5.530445      4.666682
  H      -1.777459      4.781804      7.626917
  H      -0.403748      4.538002      6.520189
  H      -3.773777      2.122604      9.021596
  H      -3.391420      3.824476      8.703644
  H      -2.338938      1.342766      7.249640
  H      -1.369092      2.501859      8.205033
  C      -4.220756      0.855394      3.687292
  C      -4.380573     -0.647019      3.993866
  C      -5.719166     -1.205212      3.453983
  C      -6.094855     -0.647852      2.106235
  N      -7.040393      0.284603      2.092394
  C      -7.322484      0.880479      0.903484
  N      -6.758484      0.651111     -0.267632
  C      -5.804830     -0.330169     -0.288142
  C      -5.167688     -0.652947     -1.513230
  C      -4.213900     -1.641304     -1.556039
  C      -3.850064     -2.345062     -0.384227
  C      -4.448944     -2.048212      0.823535
  C      -5.436795     -1.035637      0.899486
  C      -4.444154      6.390722      6.144187
  C      -4.437072      7.702484      5.334570
  C      -4.722515      7.519011      3.844750
  C      -6.109227      7.032897      3.505607
  N      -7.077270      7.259528      4.383293
  C      -8.330406      6.841223      4.059788
  N      -8.709111      6.184777      2.983514
  C      -7.725093      5.901798      2.081527
  C      -8.045221      5.133744      0.935398
  C      -7.073871      4.842135     -0.000584
  C      -5.757812      5.335552      0.156489
  C      -5.419127      6.083774      1.267593
  C      -6.383759      6.355930      2.273199
  C      -5.903390      2.423265      7.640033
  C      -6.862606      3.526568      8.104603
  C      -8.293435      2.979580      8.329121
  C      -9.026904      2.743342      7.036051
  N      -8.825883      1.584356      6.417785
  C      -9.446494      1.394410      5.222015
  N     -10.277821      2.204745      4.603379
  C     -10.519352      3.400394      5.226708
  C     -11.401785      4.326513      4.619727
  C     -11.638660      5.546256      5.211842
  C     -11.006917      5.890591      6.430551
  C     -10.147746      5.005668      7.046441
  C      -9.887814      3.740853      6.465732
  H      -3.808716      0.947197      2.652183
  H      -5.224655      1.305902      3.654708
  H      -4.374057     -0.790332      5.085955
  H      -3.531074     -1.213356      3.586152
  H      -5.681819     -2.304170      3.427159
  H      -6.523950     -0.913014      4.142162
  H      -8.107009      1.648144      0.940879
  H      -5.464172     -0.103861     -2.406455
  H      -3.729474     -1.890148     -2.502931
  H      -3.088050     -3.129094     -0.439740
  H      -4.164603     -2.595793      1.724156
  H      -5.472242      6.003253      6.169659
  H      -4.179028      6.643039      7.193624
  H      -3.456297      8.195831      5.433284
  H      -5.182030      8.379122      5.778532
  H      -4.571302      8.480975      3.322463
  H      -3.981378      6.827030      3.420178
  H      -9.105728      7.071722      4.795526
  H      -9.070063      4.775183      0.833037
  H      -7.316301      4.227476     -0.868608
  H      -5.006046      5.119436     -0.605909
  H      -4.404603      6.471271      1.367809
  H      -5.796994      1.690630      8.463399
  H      -6.379378      1.884894      6.809711
  H      -6.497879      3.979624      9.041328
  H      -6.879887      4.322435      7.343416
  H      -8.231753      2.018787      8.863797
  H      -8.860137      3.673070      8.964655
  H      -9.220450      0.452179      4.723579
  H     -11.861609      4.046172      3.670429
  H     -12.304401      6.264607      4.729404
  H     -11.194410      6.870140      6.880108
  H      -9.658078      5.285293      7.980018
  N      -3.437971      3.983083      3.078462
  H      -2.615744      4.579883      2.960861
  H      -4.215797      4.466872      2.620097
  H      -3.268263      3.126049      2.548564
  N      -5.903341      3.555876      4.694855
  N      -6.978747      3.685593      4.298738
101
Coordinates from ORCA-job orca E -6314.509499270353
  N      -3.447237      1.617386      4.624441
  Mo     -4.092168      3.394755      5.356388
  N      -4.599906      2.886947      7.205272
  C      -3.545657      2.842215      8.207175
  C      -2.252911      2.396743      7.535694
  N      -2.054554      3.185692      6.287819
  C      -1.249107      2.453237      5.284016
  C      -2.043968      1.268371      4.721578
  C      -1.508434      4.538605      6.584860
  C      -2.156529      5.579213      5.667041
  N      -3.587190      5.345422      5.616032
  H      -1.616376      1.008425      3.728471
  H      -1.882407      0.369450      5.355876
  H      -1.032796      3.172399      4.481914
  H      -0.285664      2.120212      5.712400
  H      -1.913660      6.586527      6.051267
  H      -1.693041      5.525136      4.660013
  H      -1.778324      4.779621      7.621836
  H      -0.405857      4.531096      6.513871
  H      -3.784190      2.126939      9.016165
  H      -3.396239      3.827037      8.698704
  H      -2.350033      1.342584      7.246076
  H      -1.376854      2.500023      8.200062
  C      -4.229381      0.856577      3.675271
  C      -4.383360     -0.644821      3.987190
  C      -5.717306     -1.213377      3.438397
  C      -6.093226     -0.662338      2.087566
  N      -7.053572      0.258754      2.064103
  C      -7.335391      0.847163      0.871982
  N      -6.759409      0.620753     -0.293246
  C      -5.792519     -0.348746     -0.303929
  C      -5.142780     -0.667655     -1.522470
  C      -4.169187     -1.645047     -1.555844
  C      -3.807750     -2.341341     -0.380191
  C      -4.419933     -2.047609      0.821132
  C      -5.421130     -1.046218      0.887315
  C      -4.440520      6.393896      6.145735
  C      -4.432510      7.706928      5.338593
  C      -4.720785      7.523493      3.848695
  C      -6.108699      7.036484      3.511392
  N      -7.078954      7.269540      4.387672
  C      -8.334441      6.854529      4.063505
  N      -8.712726      6.191334      2.989772
  C      -7.726404      5.900506      2.090465
  C      -8.047109      5.128409      0.947299
  C      -7.076475      4.837519      0.012501
  C      -5.759570      5.333151      0.167466
  C      -5.419234      6.082168      1.276062
  C      -6.383963      6.355835      2.280879
  C      -5.909633      2.428306      7.636189
  C      -6.865780      3.526971      8.116162
  C      -8.294683      2.975567      8.342387
  C      -9.030377      2.752562      7.049271
  N      -8.840589      1.588395      6.435396
  C      -9.466915      1.397436      5.243114
  N     -10.296159      2.211286      4.625463
  C     -10.525835      3.410361      5.244419
  C     -11.407025      4.339941      4.638562
  C     -11.631877      5.568091      5.225394
  C     -10.989461      5.912622      6.438096
  C     -10.132157      5.022371      7.053852
  C      -9.884660      3.752532      6.477981
  H      -3.815305      0.946176      2.640743
  H      -5.234304      1.302461      3.637633
  H      -4.384005     -0.781709      5.079830
  H      -3.525893     -1.208607      3.589555
  H      -5.672848     -2.313163      3.413398
  H      -6.528458     -0.925040      4.120644
  H      -8.117752      1.603733      0.900443
  H      -5.441848     -0.124656     -2.418736
  H      -3.676647     -1.891139     -2.497555
  H      -3.046887     -3.116392     -0.427790
  H      -4.141512     -2.589290      1.724254
  H      -5.469590      6.008623      6.173853
  H      -4.170866      6.642464      7.195081
  H      -3.449669      8.197397      5.435616
  H      -5.174622      8.385576      5.784949
  H      -4.571065      8.485668      3.325907
  H      -3.979470      6.832007      3.422811
  H      -9.111426      7.093556      4.796056
  H      -9.072886      4.768846      0.846157
  H      -7.320581      4.223873     -0.853578
  H      -5.009252      5.119143     -0.594668
  H      -4.404492      6.472220      1.374473
  H      -5.799100      1.688490      8.453618
  H      -6.390622      1.896193      6.804739
  H      -6.496846      3.970233      9.054445
  H      -6.887267      4.329914      7.363403
  H      -8.227830      2.007979      8.863925
  H      -8.861091      3.658977      8.989334
  H      -9.251982      0.446265      4.748871
  H     -11.875486      4.056939      3.694172
  H     -12.296509      6.286458      4.744436
  H     -11.167941      6.891287      6.883907
  H      -9.634515      5.304292      7.982489
  N      -3.444113      3.988392      3.069514
  H      -2.638512      4.614993      2.950721
  H      -4.236700      4.440525      2.595920
  H      -3.242301      3.129315      2.555136
  N      -5.908830      3.557453      4.683460
  N      -6.985554      3.679704      4.284011
101
Coordinates from ORCA-job orca E -6314.509432526216
  N      -3.460193      1.622686      4.613909
  Mo     -4.102540      3.400239      5.346196
  N      -4.613263      2.896153      7.194821
  C      -3.561496      2.851072      8.201828
  C      -2.267324      2.399363      7.533606
  N      -2.065634      3.183813      6.284319
  C      -1.262297      2.448765      5.279072
  C      -2.061565      1.262720      4.723951
  C      -1.514881      4.534992      6.579987
  C      -2.159128      5.574551      5.657959
  N      -3.591682      5.348199      5.606197
  H      -1.627764      0.988398      3.737094
  H      -1.911910      0.368367      5.367849
  H      -1.052377      3.165027      4.471245
  H      -0.293482      2.118880      5.703993
  H      -1.911315      6.582245      6.037503
  H      -1.696260      5.512839      4.651215
  H      -1.784205      4.779330      7.616933
  H      -0.411653      4.523596      6.509819
  H      -3.804741      2.138734      9.011400
  H      -3.410207      3.835817      8.693463
  H      -2.367843      1.345225      7.245999
  H      -1.390202      2.501360      8.199287
  C      -4.239639      0.855337      3.669287
  C      -4.385476     -0.646683      3.990322
  C      -5.710687     -1.230197      3.423551
  C      -6.068919     -0.680353      2.073226
  N      -7.036600      0.230946      2.049260
  C      -7.315490      0.820963      0.857898
  N      -6.737499      0.603551     -0.307108
  C      -5.761493     -0.356591     -0.317615
  C      -5.112349     -0.665062     -1.536635
  C      -4.117917     -1.633547     -1.571311
  C      -3.752558     -2.331140     -0.395958
  C      -4.376796     -2.047336      0.805772
  C      -5.382673     -1.054938      0.873086
  C      -4.440091      6.397264      6.141894
  C      -4.433792      7.708715      5.331740
  C      -4.730349      7.522704      3.844184
  C      -6.118954      7.037172      3.516500
  N      -7.083007      7.277214      4.394506
  C      -8.339751      6.863836      4.079824
  N      -8.724614      6.193333      3.015735
  C      -7.742843      5.891222      2.117100
  C      -8.065587      5.099671      0.987286
  C      -7.099476      4.793808      0.053904
  C      -5.785763      5.296391      0.195881
  C      -5.443367      6.064956      1.291074
  C      -6.401366      6.348692      2.295868
  C      -5.922444      2.431866      7.622455
  C      -6.875599      3.525689      8.122210
  C      -8.302926      2.972352      8.346234
  C      -9.036478      2.759559      7.051215
  N      -8.865411      1.589161      6.436235
  C      -9.495581      1.408665      5.245572
  N     -10.312211      2.248616      4.630365
  C     -10.521794      3.442129      5.252463
  C     -11.390703      4.387641      4.651781
  C     -11.596142      5.616196      5.242094
  C     -10.944072      5.949352      6.450911
  C     -10.097918      5.045851      7.061077
  C      -9.873376      3.763242      6.484315
  H      -3.826531      0.940324      2.634762
  H      -5.242869      1.299247      3.628598
  H      -4.396104     -0.774874      5.082750
  H      -3.515459     -1.207860      3.606664
  H      -5.658336     -2.333193      3.390225
  H      -6.534347     -0.948790      4.097221
  H      -8.121341      1.570347      0.885060
  H      -5.418435     -0.120850     -2.432600
  H      -3.615881     -1.870702     -2.513482
  H      -2.978150     -3.098515     -0.443818
  H      -4.097698     -2.589592      1.708255
  H      -5.469800      6.013745      6.176779
  H      -4.163226      6.645670      7.189313
  H      -3.449573      8.195239      5.422156
  H      -5.170323      8.391358      5.779711
  H      -4.583771      8.483913      3.318419
  H      -3.992571      6.830902      3.416661
  H      -9.111963      7.113008      4.812528
  H      -9.089127      4.735623      0.896382
  H      -7.343723      4.161434     -0.801707
  H      -5.038988      5.070169     -0.565931
  H      -4.430219      6.457949      1.379892
  H      -5.809744      1.677657      8.427831
  H      -6.406932      1.911560      6.784206
  H      -6.501755      3.956109      9.064270
  H      -6.901007      4.339783      7.381776
  H      -8.235091      2.000291      8.858512
  H      -8.869993      3.649323      8.998666
  H      -9.299934      0.445259      4.750710
  H     -11.865729      4.121285      3.708927
  H     -12.251294      6.349654      4.764928
  H     -11.106063      6.933045      6.897205
  H      -9.591628      5.324583      7.985205
  N      -3.454056      3.988420      3.060000
  H      -2.660163      4.618802      2.945824
  H      -4.247444      4.422911      2.585455
  H      -3.235908      3.132126      2.543009
  N      -5.915123      3.552403      4.673812
  N      -6.995197      3.673143      4.289736
101
Coordinates from ORCA-job orca E -6314.509770079541
  N      -3.444630      1.623545      4.602561
  Mo     -4.094147      3.401194      5.333873
  N      -4.614640      2.892040      7.179283
  C      -3.569233      2.846542      8.193847
  C      -2.270357      2.395948      7.531649
  N      -2.061636      3.181251      6.283507
  C      -1.250410      2.446977      5.282743
  C      -2.046234      1.264815      4.715091
  C      -1.513612      4.533020      6.584268
  C      -2.153613      5.573987      5.660053
  N      -3.586631      5.348132      5.600950
  H      -1.608773      0.998145      3.727723
  H      -1.898333      0.366015      5.353669
  H      -1.028765      3.165404      4.479998
  H      -0.287114      2.112289      5.716857
  H      -1.907956      6.581586      6.041676
  H      -1.686317      5.512693      4.655234
  H      -1.789638      4.775821      7.620013
  H      -0.409812      4.522544      6.521020
  H      -3.817137      2.131778      9.000426
  H      -3.422747      3.830764      8.688755
  H      -2.368923      1.341784      7.242440
  H      -1.396610      2.497094      8.202746
  C      -4.222075      0.855538      3.658293
  C      -4.368306     -0.645387      3.986204
  C      -5.695365     -1.227096      3.430566
  C      -6.060839     -0.684630      2.078231
  N      -7.026226      0.228478      2.050558
  C      -7.311577      0.813863      0.856836
  N      -6.733940      0.590524     -0.306477
  C      -5.759108     -0.372248     -0.313573
  C      -5.108490     -0.687670     -1.531435
  C      -4.130225     -1.658916     -1.562883
  C      -3.760508     -2.351617     -0.385101
  C      -4.372716     -2.060813      0.815703
  C      -5.380932     -1.066090      0.879714
  C      -4.437263      6.393050      6.142008
  C      -4.433807      7.706794      5.336090
  C      -4.731365      7.523738      3.848298
  C      -6.118414      7.033776      3.520352
  N      -7.082042      7.265403      4.400872
  C      -8.337448      6.849279      4.085266
  N      -8.722554      6.187964      3.015404
  C      -7.740942      5.895143      2.112773
  C      -8.063626      5.114259      0.974923
  C      -7.095787      4.813434      0.038983
  C      -5.780746      5.310778      0.187246
  C      -5.439309      6.071646      1.289526
  C      -6.399117      6.350483      2.295669
  C      -5.927537      2.432461      7.599810
  C      -6.876546      3.526845      8.108174
  C      -8.303031      2.974985      8.336649
  C      -9.045721      2.770065      7.045855
  N      -8.874044      1.610394      6.422440
  C      -9.511841      1.437105      5.234372
  N     -10.337574      2.268700      4.631373
  C     -10.548428      3.462734      5.261969
  C     -11.429449      4.401287      4.675928
  C     -11.639909      5.625240      5.277126
  C     -10.980653      5.952675      6.483994
  C     -10.121641      5.049651      7.080262
  C      -9.891558      3.783187      6.490405
  H      -3.806109      0.938102      2.625096
  H      -5.226226      1.298399      3.613051
  H      -4.373476     -0.770292      5.079683
  H      -3.504137     -1.209256      3.600426
  H      -5.645117     -2.326576      3.404475
  H      -6.511240     -0.941461      4.105831
  H      -8.100036      1.566590      0.882730
  H      -5.412825     -0.146842     -2.429335
  H      -3.634240     -1.902134     -2.504669
  H      -2.982621     -3.121466     -0.431076
  H      -4.084388     -2.599606      1.720647
  H      -5.466323      6.007299      6.176152
  H      -4.159875      6.638034      7.190203
  H      -3.450074      8.194956      5.426786
  H      -5.171514      8.387015      5.786910
  H      -4.589212      8.487155      3.325404
  H      -3.991121      6.835857      3.417949
  H      -9.109267      7.088587      4.822531
  H      -9.088241      4.753864      0.879514
  H      -7.340034      4.187394     -0.822694
  H      -5.031711      5.087010     -0.575177
  H      -4.425151      6.461303      1.383031
  H      -5.821704      1.669353      8.397759
  H      -6.412294      1.923362      6.754912
  H      -6.497432      3.952181      9.050447
  H      -6.904481      4.344790      7.372091
  H      -8.232928      2.000451      8.843410
  H      -8.865501      3.649356      8.995541
  H      -9.314181      0.482113      4.731673
  H     -11.910039      4.132090      3.735370
  H     -12.305347      6.352892      4.812280
  H     -11.147207      6.926747      6.940610
  H      -9.611572      5.317459      8.004686
  N      -3.434159      3.994954      3.051359
  H      -2.642551      4.632773      2.942896
  H      -4.228685      4.425007      2.569661
  H      -3.205657      3.141114      2.535791
  N      -5.907509      3.541930      4.661750
  N      -6.987054      3.654637      4.283264
101
Coordinates from ORCA-job orca E -6314.509747860438
  N      -3.423854      1.622614      4.592398
  Mo     -4.083302      3.398125      5.316198
  N      -4.619107      2.883128      7.156892
  C      -3.583733      2.841896      8.179464
  C      -2.279164      2.394969      7.529873
  N      -2.060443      3.180857      6.284615
  C      -1.237980      2.448095      5.295086
  C      -2.025449      1.267193      4.716546
  C      -1.518547      4.534468      6.590474
  C      -2.152571      5.575118      5.662185
  N      -3.584449      5.347154      5.593424
  H      -1.578875      1.004834      3.732732
  H      -1.881048      0.367643      5.353877
  H      -1.004488      3.167132      4.498353
  H      -0.283712      2.112690      5.741066
  H      -1.910890      6.583100      6.044845
  H      -1.678035      5.513647      4.661311
  H      -1.804643      4.775521      7.622863
  H      -0.414791      4.526952      6.537077
  H      -3.837539      2.127168      8.984027
  H      -3.444409      3.826653      8.673084
  H      -2.372532      1.340369      7.241350
  H      -1.413328      2.498914      8.208088
  C      -4.196068      0.849307      3.645463
  C      -4.350753     -0.646272      3.976977
  C      -5.680459     -1.222784      3.435802
  C      -6.060644     -0.679724      2.081251
  N      -7.023109      0.236299      2.052529
  C      -7.302117      0.819615      0.856491
  N      -6.723362      0.592181     -0.307423
  C      -5.758176     -0.373632     -0.312799
  C      -5.104770     -0.694201     -1.529432
  C      -4.126649     -1.666744     -1.556912
  C      -3.764829     -2.356592     -0.377013
  C      -4.380217     -2.061097      0.822569
  C      -5.386883     -1.064801      0.882717
  C      -4.441239      6.384314      6.139652
  C      -4.448415      7.702290      5.340748
  C      -4.744316      7.523025      3.851526
  C      -6.127166      7.018170      3.518691
  N      -7.098378      7.236243      4.398161
  C      -8.349460      6.807135      4.075210
  N      -8.723309      6.148418      2.996435
  C      -7.735180      5.871328      2.093562
  C      -8.049853      5.101055      0.944792
  C      -7.077672      4.819619      0.010383
  C      -5.764674      5.323321      0.171060
  C      -5.430613      6.073035      1.283039
  C      -6.396969      6.336923      2.287033
  C      -5.934633      2.428712      7.571874
  C      -6.871504      3.523827      8.096316
  C      -8.299257      2.978387      8.338584
  C      -9.057684      2.778701      7.054516
  N      -8.898572      1.617987      6.423805
  C      -9.548203      1.453764      5.239881
  N     -10.376808      2.286992      4.649483
  C     -10.576601      3.483482      5.287675
  C     -11.461581      4.429112      4.715370
  C     -11.661737      5.647155      5.324819
  C     -10.986647      5.970747      6.525503
  C     -10.123325      5.067574      7.107312
  C      -9.904054      3.803250      6.510198
  H      -3.773907      0.927807      2.614485
  H      -5.200674      1.292710      3.593837
  H      -4.352121     -0.769136      5.071718
  H      -3.496308     -1.213692      3.587782
  H      -5.628369     -2.321690      3.415931
  H      -6.492241     -0.937757      4.120134
  H      -8.100153      1.574402      0.880534
  H      -5.405377     -0.155839     -2.428999
  H      -3.635237     -1.914823     -2.496906
  H      -3.006477     -3.127884     -0.420160
  H      -4.101852     -2.598123      1.729077
  H      -5.467569      5.991295      6.171602
  H      -4.165879      6.625697      7.189098
  H      -3.467903      8.198627      5.433811
  H      -5.192712      8.373722      5.795119
  H      -4.612531      8.490506      3.333471
  H      -3.995549      6.844359      3.417451
  H      -9.126186      7.029759      4.812650
  H      -9.072555      4.734881      0.840119
  H      -7.317118      4.205757     -0.859544
  H      -5.012343      5.114832     -0.589429
  H      -4.419102      6.470003      1.385394
  H      -5.834724      1.655090      8.359637
  H      -6.423909      1.934973      6.721466
  H      -6.479031      3.942627      9.037044
  H      -6.902612      4.345581      7.363403
  H      -8.230225      2.002722      8.844964
  H      -8.850544      3.656430      9.003177
  H      -9.357666      0.509970      4.729980
  H     -11.954713      4.164509      3.778726
  H     -12.331485      6.380165      4.870270
  H     -11.145263      6.950435      6.987935
  H      -9.601293      5.333260      8.027057
  N      -3.404793      4.000570      3.046196
  H      -2.636588      4.676303      2.944315
  H      -4.206857      4.395938      2.540477
  H      -3.133029      3.149672      2.552184
  N      -5.900069      3.517534      4.634271
  N      -6.985426      3.607970      4.251797
101
Coordinates from ORCA-job orca E -6314.510009013521
  N      -3.426586      1.627943      4.585986
  Mo     -4.086987      3.403544      5.308603
  N      -4.628813      2.887404      7.147449
  C      -3.596988      2.845607      8.174124
  C      -2.290736      2.396119      7.529335
  N      -2.067214      3.181358      6.284689
  C      -1.243348      2.447721      5.297398
  C      -2.030978      1.267013      4.720258
  C      -1.524026      4.534242      6.592395
  C      -2.153635      5.575478      5.661624
  N      -3.585828      5.351251      5.590093
  H      -1.578988      0.997879      3.741297
  H      -1.894106      0.370324      5.362278
  H      -1.010658      3.165610      4.499221
  H      -0.289073      2.113358      5.744224
  H      -1.909886      6.583808      6.042428
  H      -1.677610      5.510095      4.661658
  H      -1.812393      4.775912      7.624210
  H      -0.420258      4.524999      6.541878
  H      -3.854866      2.131891      8.978362
  H      -3.457945      3.830596      8.667691
  H      -2.384641      1.341209      7.241367
  H      -1.427153      2.499330      8.210308
  C      -4.196169      0.851486      3.639472
  C      -4.350014     -0.644812      3.973830
  C      -5.675699     -1.228168      3.423049
  C      -6.047953     -0.688899      2.066904
  N      -7.017869      0.222698      2.033797
  C      -7.297481      0.802911      0.836515
  N      -6.712769      0.576175     -0.325038
  C      -5.737437     -0.385389     -0.326141
  C      -5.082215     -0.704689     -1.540387
  C      -4.101650     -1.673154     -1.564018
  C      -3.738242     -2.359980     -0.382352
  C      -4.359431     -2.065516      0.815003
  C      -5.367320     -1.073331      0.871049
  C      -4.441129      6.388494      6.136813
  C      -4.448323      7.704248      5.334598
  C      -4.746105      7.519676      3.846677
  C      -6.129302      7.014460      3.519417
  N      -7.096842      7.238858      4.400770
  C      -8.349639      6.811812      4.084147
  N      -8.729102      6.150208      3.010639
  C      -7.744577      5.866979      2.106314
  C      -8.065879      5.096198      0.962751
  C      -7.096876      4.807010      0.026464
  C      -5.781064      5.304333      0.179485
  C      -5.441026      6.055495      1.286158
  C      -6.404078      6.328020      2.292355
  C      -5.943702      2.428722      7.559564
  C      -6.876032      3.518790      8.100819
  C      -8.303854      2.974625      8.344738
  C      -9.063929      2.781633      7.060709
  N      -8.916711      1.620793      6.428460
  C      -9.570832      1.462484      5.246362
  N     -10.393995      2.308652      4.659189
  C     -10.580930      3.499543      5.300113
  C     -11.460613      4.457804      4.732401
  C     -11.647068      5.677636      5.344440
  C     -10.963013      5.993569      6.541802
  C     -10.104788      5.079273      7.119243
  C      -9.901166      3.807209      6.520702
  H      -3.771665      0.927885      2.608679
  H      -5.200085      1.295460      3.586285
  H      -4.358978     -0.763933      5.068544
  H      -3.487521     -1.211631      3.591437
  H      -5.620937     -2.327664      3.402764
  H      -6.493042     -0.944157      4.100847
  H      -8.090174      1.554145      0.856586
  H      -5.380945     -0.168735     -2.441227
  H      -3.600720     -1.919427     -2.502565
  H      -2.960262     -3.128038     -0.422159
  H      -4.078360     -2.599568      1.722889
  H      -5.467330      5.995734      6.170311
  H      -4.164235      6.631146      7.185267
  H      -3.467357      8.199281      5.424872
  H      -5.190985      8.377783      5.787203
  H      -4.615484      8.484908      3.324779
  H      -3.998845      6.839467      3.414808
  H      -9.123533      7.041099      4.822745
  H      -9.090726      4.734885      0.863836
  H      -7.341512      4.193759     -0.839778
  H      -5.031474      5.089766     -0.583424
  H      -4.427882      6.448336      1.382721
  H      -5.842687      1.644616      8.336669
  H      -6.435759      1.946375      6.704656
  H      -6.478079      3.927320      9.043787
  H      -6.909183      4.348177      7.376838
  H      -8.236078      1.996701      8.846463
  H      -8.852412      3.651115      9.013497
  H      -9.391891      0.511681      4.735427
  H     -11.960620      4.200188      3.797892
  H     -12.312847      6.414388      4.895199
  H     -11.110823      6.969110      7.005968
  H      -9.575040      5.341035      8.035910
  N      -3.401755      4.006069      3.043720
  H      -2.644310      4.688881      2.947612
  H      -4.205207      4.388383      2.533921
  H      -3.113061      3.158737      2.550605
  N      -5.901298      3.513944      4.621182
  N      -6.988519      3.597751      4.243301
101
Coordinates from ORCA-job orca E -6314.509934620624
  N      -3.441754      1.632914      4.573516
  Mo     -4.096434      3.409949      5.301080
  N      -4.638428      2.899121      7.141795
  C      -3.604862      2.854342      8.170443
  C      -2.298253      2.397857      7.524856
  N      -2.072720      3.178652      6.276305
  C      -1.253841      2.439096      5.285639
  C      -2.050979      1.258045      4.717793
  C      -1.521969      4.528602      6.582167
  C      -2.149170      5.570256      5.650126
  N      -3.583316      5.353725      5.582045
  H      -1.596032      0.972709      3.743509
  H      -1.926860      0.365403      5.370200
  H      -1.024793      3.152912      4.479843
  H      -0.293770      2.104494      5.728960
  H      -1.899557      6.578633      6.027288
  H      -1.676563      5.498763      4.648373
  H      -1.807572      4.773050      7.615380
  H      -0.417370      4.513934      6.530008
  H      -3.866276      2.142572      8.975817
  H      -3.462025      3.839118      8.664725
  H      -2.396645      1.342568      7.239375
  H      -1.431711      2.498808      8.205702
  C      -4.212272      0.852734      3.632982
  C      -4.359326     -0.645319      3.977662
  C      -5.678181     -1.241848      3.412209
  C      -6.035905     -0.707143      2.054962
  N      -7.005773      0.196613      2.017871
  C      -7.283335      0.776353      0.819810
  N      -6.698662      0.555541     -0.339791
  C      -5.712749     -0.398344     -0.337362
  C      -5.049682     -0.710469     -1.550400
  C      -4.057162     -1.672269     -1.571991
  C      -3.689198     -2.358724     -0.388810
  C      -4.314906     -2.070730      0.807379
  C      -5.337076     -1.085642      0.861353
  C      -4.430665      6.394196      6.135181
  C      -4.434337      7.709032      5.330423
  C      -4.740788      7.524808      3.844158
  C      -6.127201      7.028536      3.524799
  N      -7.087071      7.260779      4.407989
  C      -8.342295      6.839162      4.099329
  N      -8.730420      6.172116      3.034680
  C      -7.752247      5.878320      2.130590
  C      -8.077266      5.089844      0.999093
  C      -7.112021      4.783768      0.062984
  C      -5.797936      5.285125      0.203986
  C      -5.454907      6.054920      1.299156
  C      -6.411327      6.338131      2.305963
  C      -5.952665      2.434424      7.551821
  C      -6.886015      3.516696      8.111243
  C      -8.311315      2.969032      8.348460
  C      -9.069351      2.792332      7.063295
  N      -8.926779      1.632347      6.432635
  C      -9.583460      1.476533      5.253229
  N     -10.406642      2.322743      4.668850
  C     -10.587760      3.519188      5.307125
  C     -11.469817      4.469355      4.744463
  C     -11.653197      5.694558      5.355189
  C     -10.962865      6.007160      6.548005
  C     -10.102390      5.092573      7.121408
  C      -9.902669      3.826654      6.523011
  H      -3.788314      0.924523      2.602075
  H      -5.215525      1.294719      3.576595
  H      -4.376982     -0.755908      5.072318
  H      -3.485627     -1.210907      3.607991
  H      -5.617501     -2.342738      3.388436
  H      -6.504317     -0.961482      4.079646
  H      -8.085785      1.521735      0.836995
  H      -5.353824     -0.174702     -2.452423
  H      -3.552190     -1.912742     -2.509807
  H      -2.908444     -3.120801     -0.426594
  H      -4.032107     -2.604607      1.716141
  H      -5.458767      6.006145      6.176012
  H      -4.145117      6.635973      7.181644
  H      -3.449676      8.196430      5.414323
  H      -5.168783      8.389414      5.785828
  H      -4.606944      8.488867      3.320062
  H      -4.000596      6.839794      3.410505
  H      -9.111085      7.080488      4.838282
  H      -9.100511      4.725511      0.909804
  H      -7.357614      4.151266     -0.793938
  H      -5.051010      5.056652     -0.558863
  H      -4.441700      6.447115      1.387544
  H      -5.848720      1.637391      8.317057
  H      -6.446544      1.963289      6.691030
  H      -6.488092      3.910507      9.058351
  H      -6.921970      4.357371      7.403013
  H      -8.240633      1.985202      8.834852
  H      -8.861761      3.634721      9.026673
  H      -9.410166      0.519941      4.743072
  H     -11.974341      4.210770      3.813976
  H     -12.321125      6.437998      4.908129
  H     -11.107424      6.983227      7.011234
  H      -9.568810      5.351820      8.034706
  N      -3.410770      4.007750      3.031678
  H      -2.662650      4.695838      2.938506
  H      -4.217128      4.374657      2.519291
  H      -3.108267      3.163830      2.537193
  N      -5.905422      3.521423      4.613338
  N      -6.994397      3.604435      4.249193
101
Coordinates from ORCA-job orca E -6314.510175545915
  N      -3.427103      1.631896      4.569196
  Mo     -4.091378      3.405635      5.292487
  N      -4.641010      2.890735      7.129744
  C      -3.612822      2.850980      8.162266
  C      -2.302480      2.399394      7.523764
  N      -2.072228      3.180860      6.277115
  C      -1.244585      2.443591      5.293917
  C      -2.034658      1.264225      4.713849
  C      -1.527946      4.532545      6.586867
  C      -2.154226      5.572942      5.653396
  N      -3.587106      5.351263      5.579668
  H      -1.576875      0.989901      3.738179
  H      -1.907036      0.367482      5.359208
  H      -1.004664      3.159062      4.494339
  H      -0.291812      2.107157      5.747244
  H      -1.909675      6.581609      6.032391
  H      -1.677444      5.503901      4.653937
  H      -1.820131      4.774633      7.618099
  H      -0.423314      4.522158      6.540757
  H      -3.876000      2.139074      8.966235
  H      -3.475759      3.836224      8.655508
  H      -2.396277      1.344089      7.238164
  H      -1.440548      2.503331      8.208716
  C      -4.194314      0.849126      3.627288
  C      -4.343199     -0.645421      3.973675
  C      -5.663952     -1.238445      3.419132
  C      -6.031346     -0.704834      2.061902
  N      -7.005897      0.200101      2.025889
  C      -7.286842      0.778251      0.827329
  N      -6.700411      0.554574     -0.332981
  C      -5.722300     -0.401164     -0.331512
  C      -5.064074     -0.716951     -1.545117
  C      -4.073709     -1.679685     -1.567132
  C      -3.706533     -2.363694     -0.383974
  C      -4.329602     -2.072426      0.812827
  C      -5.344926     -1.086243      0.867212
  C      -4.440593      6.385057      6.136507
  C      -4.451458      7.703506      5.338046
  C      -4.753498      7.523131      3.849940
  C      -6.135957      7.016481      3.523704
  N      -7.102798      7.236988      4.404878
  C      -8.353528      6.805000      4.088879
  N      -8.731324      6.140691      3.016986
  C      -7.746477      5.860386      2.113174
  C      -8.061988      5.079132      0.972075
  C      -7.091412      4.789792      0.036625
  C      -5.780403      5.298550      0.188737
  C      -5.446194      6.060531      1.293182
  C      -6.409260      6.329469      2.298301
  C      -5.957105      2.430603      7.536027
  C      -6.883060      3.515649      8.101579
  C      -8.309226      2.970812      8.347918
  C      -9.075464      2.793414      7.066056
  N      -8.939493      1.636651      6.427294
  C      -9.597967      1.489799      5.246690
  N     -10.417028      2.344418      4.667978
  C     -10.592964      3.535976      5.315768
  C     -11.471810      4.496645      4.759769
  C     -11.651825      5.713764      5.381376
  C     -10.960097      6.019181      6.576628
  C     -10.101637      5.096040      7.143020
  C      -9.906042      3.830284      6.534810
  H      -3.767938      0.919544      2.598029
  H      -5.198063      1.290080      3.567697
  H      -4.354716     -0.755295      5.068739
  H      -3.477664     -1.212540      3.599528
  H      -5.602938     -2.337591      3.398036
  H      -6.484686     -0.958127      4.092740
  H      -8.085591      1.525864      0.845752
  H      -5.368183     -0.182931     -2.447136
  H      -3.571583     -1.923281     -2.505454
  H      -2.928254     -3.126872     -0.422499
  H      -4.044866     -2.604454      1.721953
  H      -5.466605      5.991383      6.174731
  H      -4.157314      6.623706      7.184402
  H      -3.469970      8.197595      5.426236
  H      -5.192055      8.376571      5.795167
  H      -4.625670      8.490271      3.330084
  H      -4.006390      6.845111      3.414946
  H      -9.127706      7.032571      4.827243
  H      -9.083070      4.709008      0.874449
  H      -7.330484      4.164781     -0.827798
  H      -5.029236      5.083333     -0.572720
  H      -4.435676      6.459367      1.389926
  H      -5.857787      1.628531      8.296659
  H      -6.453259      1.967619      6.671613
  H      -6.476567      3.908658      9.047764
  H      -6.921194      4.358139      7.392249
  H      -8.239311      1.987367      8.837947
  H      -8.853839      3.640450      9.026343
  H      -9.428840      0.538289      4.729801
  H     -11.977619      4.245080      3.827122
  H     -12.318579      6.453100      4.942732
  H     -11.102343      6.992994      7.048232
  H      -9.567480      5.347163      8.059044
  N      -3.395553      4.009310      3.031771
  H      -2.655443      4.709993      2.943771
  H      -4.200999      4.366798      2.510788
  H      -3.079511      3.168336      2.543807
  N      -5.900745      3.506825      4.599141
  N      -6.990650      3.578950      4.233387
101
Coordinates from ORCA-job orca E -6314.510060443176
  N      -3.420152      1.633615      4.560020
  Mo     -4.089639      3.405510      5.282196
  N      -4.647832      2.887626      7.117417
  C      -3.623861      2.847196      8.153454
  C      -2.311258      2.396911      7.520646
  N      -2.075230      3.181118      6.276179
  C      -1.242028      2.443960      5.298802
  C      -2.028608      1.264947      4.714977
  C      -1.533539      4.533143      6.590148
  C      -2.155511      5.574417      5.654740
  N      -3.587435      5.351604      5.575847
  H      -1.564368      0.988886      3.742854
  H      -1.905822      0.369198      5.362483
  H      -0.996413      3.159211      4.501111
  H      -0.293825      2.106939      5.758190
  H      -1.912766      6.583422      6.034441
  H      -1.674646      5.505464      4.657286
  H      -1.831356      4.773745      7.619811
  H      -0.429111      4.523613      6.549584
  H      -3.890154      2.134374      8.956162
  H      -3.489459      3.832695      8.647349
  H      -2.402537      1.341261      7.233472
  H      -1.453604      2.500379      8.209818
  C      -4.183766      0.846974      3.617240
  C      -4.335079     -0.645752      3.966733
  C      -5.656066     -1.239170      3.415590
  C      -6.029062     -0.707061      2.056102
  N      -7.004973      0.196164      2.015227
  C      -7.282516      0.769791      0.814301
  N      -6.690403      0.543342     -0.343546
  C      -5.708692     -0.410656     -0.336725
  C      -5.044793     -0.729590     -1.546657
  C      -4.059338     -1.690159     -1.562018
  C      -3.693730     -2.368704     -0.376030
  C      -4.321365     -2.074385      0.817135
  C      -5.340253     -1.090592      0.864691
  C      -4.442948      6.383832      6.131997
  C      -4.455215      7.702027      5.333810
  C      -4.753035      7.518025      3.845273
  C      -6.134004      7.005032      3.518922
  N      -7.103008      7.227417      4.400239
  C      -8.354447      6.794320      4.084066
  N      -8.731768      6.130718      3.010894
  C      -7.745731      5.851775      2.105938
  C      -8.066446      5.085962      0.960631
  C      -7.097378      4.804899      0.022917
  C      -5.780969      5.302500      0.177140
  C      -5.441414      6.048203      1.285480
  C      -6.405797      6.316600      2.291993
  C      -5.964590      2.428343      7.521517
  C      -6.882214      3.508793      8.105909
  C      -8.309915      2.969376      8.355754
  C      -9.083638      2.801270      7.076683
  N      -8.955682      1.640266      6.434101
  C      -9.619961      1.502924      5.255119
  N     -10.440005      2.363998      4.682877
  C     -10.609117      3.547790      5.336829
  C     -11.490286      4.516358      4.789605
  C     -11.663965      5.729421      5.417096
  C     -10.963265      6.026411      6.609445
  C     -10.101735      5.109499      7.165247
  C      -9.913153      3.842865      6.552120
  H      -3.752887      0.915139      2.589036
  H      -5.188477      1.287337      3.553898
  H      -4.347992     -0.753477      5.062619
  H      -3.470707     -1.214049      3.594149
  H      -5.591946     -2.338419      3.398289
  H      -6.477696     -0.960281      4.090660
  H      -8.084451      1.515477      0.827594
  H      -5.343983     -0.200025     -2.450950
  H      -3.555279     -1.936315     -2.497135
  H      -2.908770     -3.130385     -0.409303
  H      -4.038270     -2.602050      1.728497
  H      -5.468136      5.988282      6.168061
  H      -4.161547      6.622551      7.180215
  H      -3.474700      8.198905      5.423906
  H      -5.199400      8.372742      5.788766
  H      -4.627804      8.484319      3.323833
  H      -4.002502      6.841268      3.413064
  H      -9.129776      7.019537      4.823220
  H      -9.091962      4.724637      0.860881
  H      -7.342481      4.198466     -0.845527
  H      -5.030961      5.093432     -0.586541
  H      -4.428298      6.441943      1.383192
  H      -5.866735      1.616265      8.270611
  H      -6.465040      1.980605      6.653328
  H      -6.468995      3.887707      9.053666
  H      -6.919310      4.358722      7.407118
  H      -8.242650      1.982870      8.840062
  H      -8.847703      3.638389      9.040789
  H      -9.456049      0.557550      4.734193
  H     -12.003236      4.275676      3.858431
  H     -12.333391      6.485160      4.982962
  H     -11.100747      6.997073      7.085953
  H      -9.560746      5.360290      8.078737
  N      -3.381456      4.014872      3.028833
  H      -2.660806      4.741775      2.945073
  H      -4.192899      4.346449      2.492056
  H      -3.033810      3.179449      2.554822
  N      -5.898750      3.497809      4.581894
  N      -6.989943      3.555769      4.212168
101
Coordinates from ORCA-job orca E -6314.510278807963
  N      -3.416530      1.635352      4.558083
  Mo     -4.090764      3.406336      5.278980
  N      -4.652165      2.886165      7.112262
  C      -3.630200      2.846698      8.150364
  C      -2.315631      2.397688      7.519988
  N      -2.077290      3.182973      6.276350
  C      -1.240955      2.447151      5.300410
  C      -2.025147      1.269039      4.712530
  C      -1.537485      4.535145      6.593149
  C      -2.159160      5.576828      5.657911
  N      -3.590487      5.352823      5.576840
  H      -1.560498      0.996632      3.740470
  H      -1.900957      0.372533      5.357268
  H      -0.992841      3.163379      4.504288
  H      -0.294204      2.109278      5.762498
  H      -1.917653      6.586013      6.038240
  H      -1.677060      5.508461      4.660881
  H      -1.837274      4.774152      7.622721
  H      -0.433036      4.526647      6.554514
  H      -3.897447      2.133308      8.952470
  H      -3.497913      3.832431      8.644810
  H      -2.405140      1.341986      7.232024
  H      -1.459778      2.501400      8.211389
  C      -4.180558      0.847873      3.615914
  C      -4.332870     -0.646239      3.965649
  C      -5.653230     -1.241738      3.412429
  C      -6.022394     -0.711150      2.052880
  N      -6.993610      0.193714      2.013057
  C      -7.271245      0.768162      0.812511
  N      -6.685008      0.540921     -0.346446
  C      -5.703061     -0.414920     -0.340888
  C      -5.041311     -0.734408     -1.552209
  C      -4.053035     -1.696522     -1.569176
  C      -3.687756     -2.376342     -0.383400
  C      -4.314058     -2.081544      0.811114
  C      -5.331577     -1.095949      0.860397
  C      -4.448442      6.383020      6.131989
  C      -4.463057      7.701291      5.333482
  C      -4.760548      7.517784      3.845175
  C      -6.140471      7.004082      3.518636
  N      -7.108506      7.223493      4.400354
  C      -8.358134      6.786296      4.085616
  N      -8.734248      6.120980      3.013489
  C      -7.748893      5.844805      2.107919
  C      -8.066261      5.071762      0.964404
  C      -7.096385      4.789150      0.026395
  C      -5.783673      5.294596      0.178688
  C      -5.447591      6.048081      1.285556
  C      -6.411426      6.314748      2.292512
  C      -5.968586      2.424009      7.513854
  C      -6.883193      3.501781      8.107982
  C      -8.312171      2.966536      8.358515
  C      -9.087859      2.804178      7.080011
  N      -8.965568      1.648437      6.434857
  C      -9.630349      1.513425      5.256172
  N     -10.445417      2.377665      4.685868
  C     -10.608264      3.566613      5.340919
  C     -11.484172      4.538615      4.795539
  C     -11.651918      5.752470      5.425349
  C     -10.949520      6.046467      6.617620
  C     -10.093318      5.116058      7.173011
  C      -9.911511      3.851514      6.557397
  H      -3.749484      0.915723      2.587525
  H      -5.184572      1.289752      3.553660
  H      -4.347210     -0.753767      5.061390
  H      -3.466057     -1.214990      3.593428
  H      -5.589163     -2.341102      3.395010
  H      -6.475869     -0.962117      4.085419
  H      -8.069691      1.516071      0.827377
  H      -5.343223     -0.203721     -2.456350
  H      -3.550118     -1.942927     -2.505471
  H      -2.909789     -3.139115     -0.417935
  H      -4.033636     -2.610170      1.722140
  H      -5.472592      5.985206      6.167624
  H      -4.168215      6.622627      7.180143
  H      -3.483812      8.199655      5.423699
  H      -5.207986      8.370817      5.788053
  H      -4.635852      8.484304      3.324141
  H      -4.010095      6.841583      3.413265
  H      -9.132992      7.009929      4.824954
  H      -9.088649      4.703962      0.866639
  H      -7.337974      4.174466     -0.840590
  H      -5.033287      5.084652     -0.585118
  H      -4.436724      6.446048      1.382430
  H      -5.871131      1.605219      8.255510
  H      -6.470421      1.984785      6.642463
  H      -6.466895      3.874008      9.057104
  H      -6.919765      4.356048      7.414811
  H      -8.248413      1.979621      8.841447
  H      -8.846566      3.637091      9.045128
  H      -9.470828      0.566363      4.732978
  H     -11.998548      4.296015      3.864923
  H     -12.317968      6.500099      4.995726
  H     -11.081982      7.018787      7.095659
  H      -9.551063      5.359610      8.086897
  N      -3.379624      4.019608      3.028366
  H      -2.658452      4.740149      2.950186
  H      -4.188315      4.356348      2.496404
  H      -3.033654      3.187384      2.545332
  N      -5.898596      3.494465      4.576158
  N      -6.991145      3.548908      4.209647
101
Coordinates from ORCA-job orca E -6314.510414261884
  N      -3.414314      1.644475      4.537143
  Mo     -4.098181      3.408220      5.265946
  N      -4.658959      2.878667      7.096477
  C      -3.637073      2.837477      8.134708
  C      -2.320048      2.397831      7.503285
  N      -2.083632      3.189961      6.263602
  C      -1.242749      2.460815      5.286051
  C      -2.022411      1.280981      4.694576
  C      -1.549147      4.542220      6.587712
  C      -2.174568      5.585475      5.657357
  N      -3.604895      5.355640      5.573881
  H      -1.554507      1.010792      3.722782
  H      -1.897489      0.383433      5.338844
  H      -0.995617      3.180062      4.491786
  H      -0.295012      2.124812      5.749269
  H      -1.937649      6.593671      6.042796
  H      -1.691405      5.524328      4.660498
  H      -1.850757      4.774827      7.618189
  H      -0.444439      4.538262      6.549948
  H      -3.901791      2.118887      8.932645
  H      -3.509166      3.820902      8.634552
  H      -2.404487      1.343529      7.209913
  H      -1.464990      2.501932      8.196213
  C      -4.175870      0.851306      3.598147
  C      -4.335215     -0.638523      3.962326
  C      -5.651930     -1.234628      3.401695
  C      -5.997669     -0.724914      2.028563
  N      -6.955018      0.194018      1.959755
  C      -7.211123      0.748507      0.744681
  N      -6.615822      0.488262     -0.402925
  C      -5.651069     -0.483104     -0.367199
  C      -4.982337     -0.837397     -1.564635
  C      -4.007984     -1.814568     -1.551374
  C      -3.665572     -2.475467     -0.348115
  C      -4.299691     -2.147057      0.833289
  C      -5.301041     -1.144437      0.851669
  C      -4.467179      6.382043      6.130396
  C      -4.478425      7.705745      5.339695
  C      -4.771751      7.533158      3.849117
  C      -6.152917      7.027592      3.516188
  N      -7.122623      7.251528      4.393971
  C      -8.371643      6.814390      4.077593
  N      -8.744947      6.141623      3.009315
  C      -7.758209      5.863262      2.106642
  C      -8.071758      5.082040      0.966737
  C      -7.101127      4.800787      0.028602
  C      -5.791232      5.313909      0.178820
  C      -5.458011      6.072290      1.284507
  C      -6.422371      6.337663      2.290729
  C      -5.973194      2.406029      7.493042
  C      -6.886735      3.469128      8.116638
  C      -8.315337      2.926992      8.353600
  C      -9.094588      2.810084      7.072496
  N      -8.969205      1.681001      6.382844
  C      -9.626813      1.593879      5.195571
  N     -10.435209      2.481922      4.653426
  C     -10.604334      3.642366      5.356145
  C     -11.480332      4.632559      4.847268
  C     -11.666303      5.813184      5.533899
  C     -10.977301      6.055924      6.745508
  C     -10.115099      5.108960      7.261873
  C      -9.918572      3.876107      6.589677
  H      -3.739741      0.907994      2.571730
  H      -5.177956      1.295254      3.526714
  H      -4.360832     -0.733870      5.058831
  H      -3.467423     -1.214366      3.605535
  H      -5.595149     -2.334118      3.403181
  H      -6.481055     -0.938280      4.058332
  H      -7.996426      1.511169      0.736328
  H      -5.266685     -0.320490     -2.482426
  H      -3.498221     -2.087057     -2.477213
  H      -2.898116     -3.250537     -0.358544
  H      -4.035868     -2.660789      1.758492
  H      -5.491368      5.983319      6.159878
  H      -4.191256      6.616333      7.181081
  H      -3.499030      8.202488      5.436293
  H      -5.223940      8.373320      5.796470
  H      -4.640885      8.502257      3.334015
  H      -4.023099      6.855788      3.415565
  H      -9.147830      7.040181      4.814512
  H      -9.092044      4.708259      0.870896
  H      -7.339670      4.180001     -0.836837
  H      -5.040416      5.105407     -0.585303
  H      -4.448727      6.474729      1.380419
  H      -5.871231      1.570243      8.215922
  H      -6.478386      1.985989      6.612911
  H      -6.468823      3.814612      9.076283
  H      -6.923828      4.343565      7.447331
  H      -8.251078      1.924030      8.802703
  H      -8.846936      3.574540      9.063817
  H      -9.459195      0.670192      4.632465
  H     -11.985938      4.429116      3.902598
  H     -12.339345      6.573523      5.136273
  H     -11.125735      7.001443      7.270340
  H      -9.585276      5.312034      8.192911
  N      -3.386142      4.040093      3.018551
  H      -2.678881      4.776271      2.947888
  H      -4.198782      4.362088      2.484573
  H      -3.021957      3.217653      2.532443
  N      -5.905084      3.490075      4.561633
  N      -6.997970      3.537698      4.196813
101
Coordinates from ORCA-job orca E -6314.510078616205
  N      -3.407623      1.672418      4.485254
  Mo     -4.109138      3.417398      5.238472
  N      -4.673786      2.861731      7.059741
  C      -3.654399      2.812785      8.100234
  C      -2.331814      2.392217      7.468527
  N      -2.095118      3.201803      6.239711
  C      -1.244691      2.486949      5.258666
  C      -2.017029      1.307903      4.653825
  C      -1.568838      4.552341      6.583162
  C      -2.200072      5.604100      5.666689
  N      -3.628314      5.363641      5.578803
  H      -1.539574      1.042994      3.683879
  H      -1.896967      0.405815      5.294971
  H      -0.995558      3.214144      4.471255
  H      -0.297323      2.150513      5.725470
  H      -1.971115      6.608009      6.067223
  H      -1.715290      5.561795      4.669795
  H      -1.873940      4.768557      7.616130
  H      -0.463721      4.555732      6.547576
  H      -3.916686      2.081988      8.887348
  H      -3.535089      3.790049      8.613625
  H      -2.406713      1.341770      7.160972
  H      -1.479957      2.493642      8.166844
  C      -4.165287      0.874913      3.547679
  C      -4.357352     -0.604166      3.936739
  C      -5.667673     -1.184524      3.346816
  C      -5.940471     -0.716981      1.943184
  N      -6.850902      0.242893      1.800715
  C      -7.038126      0.755891      0.554622
  N      -6.416840      0.415802     -0.558686
  C      -5.505311     -0.598170     -0.446718
  C      -4.816076     -1.036823     -1.603481
  C      -3.890648     -2.056915     -1.513504
  C      -3.619948     -2.678355     -0.271473
  C      -4.276129     -2.268557      0.871395
  C      -5.226499     -1.219444      0.811104
  C      -4.499718      6.375886      6.148329
  C      -4.533254      7.706307      5.368249
  C      -4.852973      7.540757      3.881737
  C      -6.237234      7.025887      3.575975
  N      -7.191593      7.251573      4.468764
  C      -8.439458      6.788503      4.187160
  N      -8.822309      6.082308      3.144360
  C      -7.852076      5.808553      2.223757
  C      -8.175060      4.998298      1.106073
  C      -7.225120      4.732702      0.142078
  C      -5.926928      5.285320      0.246839
  C      -5.581827      6.064729      1.335730
  C      -6.523791      6.317820      2.365558
  C      -5.986454      2.375155      7.444072
  C      -6.889848      3.413680      8.124835
  C      -8.324691      2.876011      8.329945
  C      -9.099314      2.842396      7.041657
  N      -8.994651      1.746675      6.295949
  C      -9.622311      1.747800      5.089263
  N     -10.377600      2.695183      4.571273
  C     -10.529898      3.818297      5.333235
  C     -11.355145      4.864088      4.855144
  C     -11.541092      6.002008      5.612398
  C     -10.894019      6.146128      6.862601
  C     -10.071596      5.149808      7.344432
  C      -9.880841      3.957790      6.600886
  H      -3.711409      0.906035      2.528919
  H      -5.158722      1.332130      3.451558
  H      -4.417299     -0.676487      5.033528
  H      -3.491407     -1.202877      3.618830
  H      -5.642323     -2.283731      3.389606
  H      -6.512299     -0.841805      3.958121
  H      -7.783902      1.556700      0.486302
  H      -5.044270     -0.548591     -2.551940
  H      -3.362691     -2.393128     -2.408358
  H      -2.887760     -3.488402     -0.220841
  H      -4.066155     -2.752042      1.827532
  H      -5.519371      5.965057      6.181557
  H      -4.219535      6.605173      7.199378
  H      -3.556668      8.210782      5.451862
  H      -5.276588      8.364127      5.842920
  H      -4.737178      8.513005      3.368291
  H      -4.109243      6.868638      3.431170
  H      -9.205307      7.020451      4.932610
  H      -9.186399      4.593955      1.045359
  H      -7.471000      4.093140     -0.709654
  H      -5.194577      5.090400     -0.539243
  H      -4.581190      6.495096      1.397850
  H      -5.882081      1.505339      8.127384
  H      -6.500403      1.999943      6.547206
  H      -6.468663      3.700857      9.103792
  H      -6.916540      4.326201      7.504779
  H      -8.274779      1.848675      8.723166
  H      -8.849308      3.490954      9.073063
  H      -9.466083      0.851361      4.478451
  H     -11.831208      4.736137      3.882643
  H     -12.187547      6.805980      5.244159
  H     -11.045244      7.055388      7.446418
  H      -9.575771      5.277248      8.307362
  N      -3.386870      4.098824      3.004075
  H      -2.698980      4.857954      2.956680
  H      -4.203804      4.407950      2.469780
  H      -2.997614      3.297115      2.503596
  N      -5.912010      3.495765      4.526308
  N      -7.004152      3.532684      4.160668
101
Coordinates from ORCA-job orca E -6314.510557689872
  N      -3.415576      1.686336      4.470003
  Mo     -4.101880      3.435919      5.226214
  N      -4.674596      2.882102      7.045730
  C      -3.657057      2.826768      8.087504
  C      -2.337784      2.392485      7.458317
  N      -2.091093      3.199235      6.229727
  C      -1.246502      2.476534      5.249542
  C      -2.029735      1.306884      4.641717
  C      -1.551293      4.543731      6.575560
  C      -2.172149      5.603729      5.661818
  N      -3.602364      5.376778      5.573070
  H      -1.553260      1.037605      3.673034
  H      -1.920892      0.403471      5.282230
  H      -0.988320      3.201853      4.463780
  H      -0.304048      2.129645      5.717604
  H      -1.933970      6.604359      6.065346
  H      -1.687410      5.559732      4.664908
  H      -1.854299      4.760798      7.608971
  H      -0.446326      4.536143      6.540085
  H      -3.926865      2.099352      8.875428
  H      -3.529980      3.803826      8.599471
  H      -2.422494      1.342446      7.151516
  H      -1.486331      2.486051      8.157896
  C      -4.180400      0.893225      3.534317
  C      -4.390409     -0.581366      3.931735
  C      -5.703459     -1.153716      3.340137
  C      -5.960471     -0.702750      1.928390
  N      -6.858867      0.265058      1.766406
  C      -7.032613      0.761605      0.512079
  N      -6.409657      0.397869     -0.592656
  C      -5.509311     -0.623675     -0.460306
  C      -4.818786     -1.087624     -1.606561
  C      -3.905129     -2.116599     -1.495970
  C      -3.648404     -2.722007     -0.243169
  C      -4.306165     -2.287507      0.889804
  C      -5.244916     -1.229504      0.808270
  C      -4.463687      6.393498      6.149221
  C      -4.482512      7.731122      5.381686
  C      -4.793379      7.583360      3.891681
  C      -6.174553      7.069502      3.570958
  N      -7.133529      7.273844      4.464254
  C      -8.377529      6.808577      4.169769
  N      -8.752543      6.121128      3.111529
  C      -7.777733      5.870359      2.189079
  C      -8.092319      5.080978      1.054018
  C      -7.136723      4.837761      0.089665
  C      -5.841049      5.392501      0.211797
  C      -5.504517      6.152539      1.316874
  C      -6.452367      6.382131      2.346724
  C      -5.988477      2.399810      7.432502
  C      -6.889480      3.443465      8.108992
  C      -8.314056      2.896880      8.361317
  C      -9.121986      2.805837      7.096025
  N      -9.036955      1.677366      6.398930
  C      -9.714959      1.614875      5.221516
  N     -10.507496      2.526370      4.695626
  C     -10.641536      3.682805      5.410367
  C     -11.505410      4.693196      4.923582
  C     -11.671452      5.864402      5.632808
  C     -10.966651      6.078772      6.841146
  C     -10.109067      5.115496      7.331532
  C      -9.935747      3.890906      6.637820
  H      -3.722661      0.913263      2.516973
  H      -5.168247      1.361636      3.432422
  H      -4.456189     -0.645581      5.028815
  H      -3.528961     -1.191450      3.621684
  H      -5.691113     -2.252570      3.397934
  H      -6.548277     -0.793067      3.941147
  H      -7.769979      1.567756      0.427407
  H      -5.036620     -0.611510     -2.563721
  H      -3.376464     -2.472536     -2.382590
  H      -2.927093     -3.539136     -0.176420
  H      -4.107735     -2.759244      1.853726
  H      -5.487359      5.992654      6.177062
  H      -4.183656      6.611023      7.202706
  H      -3.503265      8.228258      5.476669
  H      -5.224571      8.388822      5.858221
  H      -4.675597      8.562099      3.391453
  H      -4.046271      6.917899      3.437224
  H      -9.147605      7.021864      4.916762
  H      -9.101249      4.672972      0.980996
  H      -7.376117      4.214908     -0.775854
  H      -5.104090      5.215099     -0.573901
  H      -4.506070      6.585605      1.392094
  H      -5.882866      1.535083      8.121666
  H      -6.504679      2.019061      6.540201
  H      -6.451035      3.755272      9.072248
  H      -6.937512      4.341892      7.470601
  H      -8.241963      1.884705      8.788578
  H      -8.828685      3.530111      9.096110
  H      -9.580367      0.689092      4.651132
  H     -12.024326      4.511939      3.981974
  H     -12.344918      6.639138      5.257961
  H     -11.102535      7.014335      7.386445
  H      -9.570218      5.295613      8.262110
  N      -3.369737      4.115104      2.993874
  H      -2.678421      4.869493      2.950037
  H      -4.183757      4.430256      2.458746
  H      -2.983613      3.312411      2.492093
  N      -5.902763      3.533736      4.511587
  N      -6.994060      3.581248      4.144212
101
Coordinates from ORCA-job orca E -6314.510505740613
  N      -3.426916      1.679456      4.473012
  Mo     -4.129451      3.415487      5.244798
  N      -4.670469      2.850402      7.069921
  C      -3.639255      2.802843      8.098578
  C      -2.323196      2.387138      7.449377
  N      -2.103612      3.204639      6.222173
  C      -1.261150      2.501053      5.227029
  C      -2.033175      1.322561      4.624019
  C      -1.582229      4.555760      6.570749
  C      -2.229148      5.611512      5.670023
  N      -3.656617      5.363669      5.590198
  H      -1.566530      1.065427      3.648490
  H      -1.900721      0.419256      5.258394
  H      -1.026853      3.234602      4.442318
  H      -0.307505      2.167603      5.679156
  H      -2.003300      6.613888      6.076949
  H      -1.751938      5.580467      4.668888
  H      -1.877523      4.761759      7.608739
  H      -0.478087      4.565881      6.523449
  H      -3.890300      2.069477      8.887802
  H      -3.516873      3.779901      8.612067
  H      -2.398620      1.337032      7.138552
  H      -1.464354      2.488122      8.137919
  C      -4.191152      0.876357      3.544512
  C      -4.367991     -0.603598      3.939640
  C      -5.681430     -1.201720      3.373744
  C      -5.979468     -0.753306      1.969184
  N      -6.905562      0.189660      1.830518
  C      -7.119271      0.684240      0.582613
  N      -6.512097      0.341958     -0.537040
  C      -5.577721     -0.652984     -0.428176
  C      -4.898206     -1.093609     -1.590708
  C      -3.954082     -2.096323     -1.503487
  C      -3.653202     -2.697556     -0.258608
  C      -4.298597     -2.285027      0.889925
  C      -5.271296     -1.255673      0.832252
  C      -4.528924      6.366883      6.172961
  C      -4.545923      7.716219      5.427361
  C      -4.814121      7.596207      3.927059
  C      -6.181647      7.083599      3.549899
  N      -7.173739      7.265514      4.412813
  C      -8.409410      6.822903      4.053829
  N      -8.748802      6.181583      2.955150
  C      -7.739647      5.951565      2.063984
  C      -8.016123      5.208723      0.889531
  C      -7.022403      4.983127     -0.039516
  C      -5.724665      5.511108      0.157613
  C      -5.426711      6.229113      1.299104
  C      -6.415639      6.438504      2.294107
  C      -5.979742      2.373195      7.474929
  C      -6.867436      3.425799      8.151977
  C      -8.294996      2.893812      8.411295
  C      -9.097519      2.787153      7.143917
  N      -9.023057      1.641914      6.473156
  C      -9.703353      1.556532      5.298948
  N     -10.488262      2.462565      4.752435
  C     -10.606076      3.640164      5.436252
  C     -11.453844      4.651719      4.921079
  C     -11.586600      5.851119      5.587357
  C     -10.870437      6.091670      6.783766
  C     -10.035144      5.124381      7.306120
  C      -9.892766      3.872681      6.654868
  H      -3.747327      0.909099      2.520753
  H      -5.189215      1.327294      3.457553
  H      -4.410556     -0.672873      5.037857
  H      -3.500549     -1.196500      3.608642
  H      -5.644525     -2.300859      3.429123
  H      -6.521548     -0.859787      3.994296
  H      -7.880538      1.468037      0.516755
  H      -5.150187     -0.621451     -2.541513
  H      -3.435925     -2.435143     -2.402157
  H      -2.909407     -3.493349     -0.210522
  H      -4.067292     -2.754046      1.846530
  H      -5.550066      5.959804      6.185442
  H      -4.259796      6.570443      7.231761
  H      -3.574080      8.220269      5.556070
  H      -5.305219      8.358716      5.896988
  H      -4.687600      8.586036      3.452219
  H      -4.048978      6.946609      3.480340
  H      -9.206094      7.013694      4.779432
  H      -9.025808      4.816800      0.760478
  H      -7.232972      4.396418     -0.934713
  H      -4.955574      5.346315     -0.598600
  H      -4.426175      6.642520      1.432387
  H      -5.871588      1.511938      8.166179
  H      -6.506579      1.992322      6.590786
  H      -6.422530      3.739960      9.109633
  H      -6.910882      4.318596      7.508535
  H      -8.231091      1.888302      8.853999
  H      -8.807154      3.542561      9.134970
  H      -9.586417      0.612736      4.756920
  H     -11.979139      4.450911      3.986847
  H     -12.237458      6.627929      5.185762
  H     -10.977414      7.051199      7.292965
  H      -9.483712      5.325777      8.224596
  N      -3.444260      4.108732      3.002644
  H      -2.764150      4.869760      2.948814
  H      -4.271392      4.416836      2.481532
  H      -3.055986      3.311594      2.493020
  N      -5.943282      3.481004      4.559124
  N      -7.041815      3.507210      4.209340
101
Coordinates from ORCA-job orca E -6314.510877856074
  N      -3.426319      1.701198      4.427257
  Mo     -4.124574      3.432328      5.211463
  N      -4.685285      2.854976      7.027029
  C      -3.662208      2.792334      8.062992
  C      -2.343651      2.373752      7.422154
  N      -2.107479      3.198778      6.203075
  C      -1.261608      2.494707      5.210886
  C      -2.039069      1.326683      4.594420
  C      -1.576864      4.542664      6.565604
  C      -2.210302      5.610743      5.669697
  N      -3.638814      5.373167      5.581641
  H      -1.563422      1.067243      3.623309
  H      -1.924868      0.419176      5.227377
  H      -1.013309      3.230854      4.432546
  H      -0.314995      2.149780      5.670416
  H      -1.979029      6.607674      6.086460
  H      -1.728250      5.584816      4.670745
  H      -1.876819      4.742500      7.603384
  H      -0.472278      4.544192      6.524992
  H      -3.924249      2.054184      8.843929
  H      -3.538029      3.764181      8.585583
  H      -2.423082      1.326844      7.102705
  H      -1.490040      2.463752      8.119112
  C      -4.191437      0.902317      3.496323
  C      -4.407632     -0.567212      3.908750
  C      -5.712240     -1.147622      3.307112
  C      -5.930950     -0.743641      1.875098
  N      -6.814368      0.226724      1.658482
  C      -6.956617      0.676659      0.383516
  N      -6.316595      0.264832     -0.694135
  C      -5.427581     -0.758119     -0.504734
  C      -4.718201     -1.271756     -1.618205
  C      -3.816940     -2.303431     -1.449759
  C      -3.590879     -2.862157     -0.169736
  C      -4.267204     -2.378771      0.932242
  C      -5.195871     -1.317718      0.791135
  C      -4.507173      6.374861      6.172526
  C      -4.528295      7.726357      5.430843
  C      -4.825404      7.608472      3.935314
  C      -6.203347      7.101947      3.588732
  N      -7.173635      7.291575      4.473620
  C      -8.417372      6.845665      4.149263
  N      -8.783292      6.191291      3.067027
  C      -7.797648      5.956403      2.151624
  C      -8.104371      5.206766      0.988371
  C      -7.137605      4.983812      0.030564
  C      -5.837368      5.518774      0.187936
  C      -5.508477      6.239637      1.320267
  C      -6.469219      6.449072      2.342808
  C      -5.998143      2.377300      7.420831
  C      -6.874244      3.415054      8.137085
  C      -8.300184      2.880372      8.401575
  C      -9.122851      2.809431      7.144951
  N      -9.065865      1.681283      6.443917
  C      -9.760537      1.633108      5.275849
  N     -10.541134      2.560834      4.760466
  C     -10.643667      3.718942      5.477962
  C     -11.491759      4.748494      5.001705
  C     -11.620694      5.923983      5.710836
  C     -10.896375      6.123027      6.910291
  C     -10.056032      5.139987      7.391959
  C      -9.919176      3.911382      6.697086
  H      -3.727594      0.911031      2.481604
  H      -5.177921      1.372371      3.384558
  H      -4.487965     -0.617602      5.005829
  H      -3.542321     -1.182316      3.617250
  H      -5.710067     -2.244253      3.402795
  H      -6.567780     -0.760035      3.876652
  H      -7.683970      1.485384      0.253418
  H      -4.912339     -0.831172     -2.597241
  H      -3.274551     -2.698049     -2.310950
  H      -2.879365     -3.681811     -0.057253
  H      -4.093004     -2.815452      1.916469
  H      -5.528859      5.968873      6.188642
  H      -4.232500      6.574325      7.230961
  H      -3.552319      8.226214      5.543512
  H      -5.277076      8.370788      5.914784
  H      -4.702940      8.597751      3.457948
  H      -4.073618      6.953470      3.473547
  H      -9.196641      7.046858      4.890027
  H      -9.116050      4.811438      0.888590
  H      -7.372320      4.395186     -0.858527
  H      -5.091206      5.357460     -0.592264
  H      -4.505931      6.656681      1.423784
  H      -5.893514      1.494354      8.085672
  H      -6.531828      2.028003      6.527144
  H      -6.415835      3.699161      9.098681
  H      -6.921661      4.327319      7.520201
  H      -8.232871      1.863158      8.816580
  H      -8.799539      3.511294      9.149512
  H      -9.655239      0.703871      4.705956
  H     -12.025278      4.579648      4.065875
  H     -12.277404      6.714270      5.342419
  H     -11.001903      7.063014      7.454796
  H      -9.499450      5.308829      8.314068
  N      -3.409883      4.149193      2.984106
  H      -2.728028      4.911172      2.950575
  H      -4.230807      4.466255      2.460223
  H      -3.018041      3.359798      2.465640
  N      -5.930719      3.519376      4.509304
  N      -7.025905      3.553208      4.150589
101
Coordinates from ORCA-job orca E -6314.511008916335
  N      -3.443427      1.736111      4.368393
  Mo     -4.142715      3.451605      5.181880
  N      -4.706104      2.849781      6.988379
  C      -3.683693      2.770991      8.024044
  C      -2.365200      2.359997      7.378875
  N      -2.126349      3.201821      6.171613
  C      -1.280265      2.510166      5.170897
  C      -2.059589      1.351862      4.539795
  C      -1.593834      4.539559      6.554567
  C      -2.225971      5.621772      5.674494
  N      -3.654330      5.385941      5.582759
  H      -1.580752      1.098310      3.568820
  H      -1.953315      0.438118      5.165121
  H      -1.031161      3.255994      4.402225
  H      -0.334647      2.157971      5.626488
  H      -1.993793      6.612308      6.105763
  H      -1.743527      5.609781      4.675524
  H      -1.893656      4.723938      7.595180
  H      -0.489331      4.540129      6.513870
  H      -3.947505      2.022205      8.794296
  H      -3.558980      3.735183      8.560374
  H      -2.445153      1.317543      7.045462
  H      -1.512572      2.439462      8.078181
  C      -4.211541      0.940719      3.436871
  C      -4.456458     -0.520062      3.861412
  C      -5.747464     -1.091002      3.225208
  C      -5.889010     -0.738343      1.770303
  N      -6.732257      0.247504      1.475535
  C      -6.809009      0.643779      0.177697
  N      -6.140302      0.165315     -0.854067
  C      -5.290066     -0.872232     -0.583648
  C      -4.552485     -1.454799     -1.643607
  C      -3.689066     -2.501966     -1.393390
  C      -3.530353     -3.008423     -0.081946
  C      -4.235823     -2.457971      0.969141
  C      -5.126935     -1.379298      0.743984
  C      -4.524755      6.377969      6.185477
  C      -4.554041      7.734892      5.455273
  C      -4.852611      7.621410      3.959716
  C      -6.224306      7.096512      3.615984
  N      -7.193682      7.269125      4.505318
  C      -8.430540      6.800532      4.187201
  N      -8.789154      6.136615      3.108179
  C      -7.803877      5.919252      2.187802
  C      -8.102988      5.165116      1.025456
  C      -7.137362      4.961016      0.062485
  C      -5.845518      5.517534      0.213913
  C      -5.523265      6.242012      1.345853
  C      -6.483413      6.435928      2.372305
  C      -6.020253      2.374888      7.380132
  C      -6.871813      3.396463      8.147676
  C      -8.297795      2.867271      8.420405
  C      -9.141829      2.839300      7.176549
  N      -9.110552      1.729488      6.444862
  C      -9.826467      1.720698      5.288760
  N     -10.602140      2.672052      4.810304
  C     -10.677256      3.812091      5.559392
  C     -11.519339      4.865097      5.124927
  C     -11.622084      6.021750      5.868325
  C     -10.876505      6.178942      7.061134
  C     -10.040828      5.172959      7.501935
  C      -9.930919      3.962413      6.771275
  H      -3.733146      0.931433      2.429225
  H      -5.189461      1.424375      3.306802
  H      -4.571401     -0.555782      4.956124
  H      -3.590342     -1.149342      3.604713
  H      -5.776771     -2.182756      3.362355
  H      -6.616992     -0.661176      3.740818
  H      -7.505725      1.466552     -0.017381
  H      -4.694535     -1.053548     -2.648088
  H      -3.124538     -2.949564     -2.213435
  H      -2.847622     -3.840911      0.095527
  H      -4.113017     -2.854655      1.977654
  H      -5.544754      5.967627      6.198015
  H      -4.250245      6.568300      7.245705
  H      -3.581542      8.241197      5.569373
  H      -5.307210      8.370187      5.944503
  H      -4.743908      8.614482      3.487088
  H      -4.094139      6.977690      3.492941
  H      -9.209627      6.987916      4.931563
  H      -9.108042      4.752450      0.929319
  H      -7.367359      4.372465     -0.827776
  H      -5.101249      5.370640     -0.571027
  H      -4.526958      6.674703      1.445707
  H      -5.919530      1.466519      8.010517
  H      -6.569302      2.067116      6.480832
  H      -6.392808      3.640854      9.110168
  H      -6.919935      4.330513      7.564324
  H      -8.232640      1.837849      8.804385
  H      -8.779008      3.480928      9.194413
  H      -9.745022      0.804480      4.694559
  H     -12.069997      4.729066      4.193632
  H     -12.274011      6.829852      5.532429
  H     -10.961456      7.104859      7.632710
  H      -9.466634      5.308893      8.418677
  N      -3.426897      4.207829      2.966855
  H      -2.749876      4.974823      2.950383
  H      -4.250039      4.531029      2.450656
  H      -3.030279      3.431814      2.432298
  N      -5.948676      3.548610      4.480961
  N      -7.044544      3.581112      4.123096
101
Coordinates from ORCA-job orca E -6314.511214840429
  N      -3.444259      1.741007      4.345110
  Mo     -4.144849      3.450845      5.166008
  N      -4.713358      2.845611      6.969700
  C      -3.693941      2.765999      8.008501
  C      -2.373905      2.355059      7.366859
  N      -2.131185      3.197174      6.160489
  C      -1.283794      2.505149      5.160710
  C      -2.064025      1.349139      4.526968
  C      -1.597480      4.533862      6.546167
  C      -2.227492      5.618313      5.666995
  N      -3.655833      5.384024      5.573243
  H      -1.580401      1.091124      3.559556
  H      -1.966341      0.435965      5.154654
  H      -1.033173      3.251532      4.393029
  H      -0.339323      2.151333      5.617400
  H      -1.994722      6.607862      6.100264
  H      -1.743619      5.607113      4.668673
  H      -1.898127      4.716800      7.586786
  H      -0.492962      4.533098      6.506420
  H      -3.960209      2.016355      8.777228
  H      -3.571045      3.729629      8.546232
  H      -2.453123      1.312538      7.033528
  H      -1.523328      2.434093      8.068704
  C      -4.211547      0.948411      3.410634
  C      -4.487830     -0.503473      3.843701
  C      -5.771356     -1.056320      3.178796
  C      -5.857127     -0.727783      1.714126
  N      -6.658664      0.278641      1.375742
  C      -6.685142      0.650340      0.068986
  N      -6.004333      0.129357     -0.933733
  C      -5.194791     -0.928268     -0.618186
  C      -4.446339     -1.555314     -1.644735
  C      -3.623415     -2.622835     -1.349082
  C      -3.517173     -3.106475     -0.023740
  C      -4.234420     -2.513093      0.995516
  C      -5.084995     -1.412209      0.723615
  C      -4.525825      6.371779      6.183641
  C      -4.558524      7.734519      5.463721
  C      -4.871081      7.634773      3.969832
  C      -6.246628      7.114787      3.634373
  N      -7.206117      7.276260      4.536249
  C      -8.445368      6.807763      4.227630
  N      -8.814522      6.151745      3.147303
  C      -7.839180      5.945851      2.213664
  C      -8.147931      5.199179      1.049124
  C      -7.193042      5.009429      0.072765
  C      -5.902951      5.572902      0.212175
  C      -5.570926      6.289151      1.346119
  C      -6.518835      6.467008      2.386753
  C      -6.028248      2.373704      7.362276
  C      -6.868546      3.388367      8.151127
  C      -8.293249      2.860224      8.431115
  C      -9.147868      2.843101      7.194518
  N      -9.131919      1.735270      6.458981
  C      -9.861997      1.734751      5.311834
  N     -10.636000      2.693113      4.844606
  C     -10.693043      3.832205      5.596705
  C     -11.530117      4.893860      5.173638
  C     -11.612870      6.050297      5.920134
  C     -10.852173      6.198248      7.104575
  C     -10.021862      5.183512      7.534572
  C      -9.932091      3.973567      6.800398
  H      -3.717333      0.922136      2.411122
  H      -5.179760      1.445850      3.259938
  H      -4.630569     -0.527960      4.935525
  H      -3.625514     -1.148434      3.613568
  H      -5.831751     -2.144187      3.335710
  H      -6.645437     -0.594920      3.658407
  H      -7.348594      1.491717     -0.162188
  H      -4.547479     -1.170894     -2.660667
  H      -3.050361     -3.104466     -2.143461
  H      -2.865559     -3.955479      0.189939
  H      -4.152196     -2.892757      2.014654
  H      -5.545499      5.960673      6.196042
  H      -4.249318      6.554951      7.244643
  H      -3.584496      8.238845      5.573410
  H      -5.306528      8.366809      5.964623
  H      -4.765815      8.632237      3.505825
  H      -4.117955      6.994596      3.490030
  H      -9.216164      6.986748      4.982404
  H      -9.150788      4.779396      0.961878
  H      -7.431007      4.428098     -0.819932
  H      -5.167437      5.436410     -0.582703
  H      -4.575804      6.726305      1.437580
  H      -5.929676      1.455460      7.978776
  H      -6.584016      2.082851      6.461789
  H      -6.379445      3.617918      9.111993
  H      -6.918680      4.330287      7.581087
  H      -8.226861      1.827741      8.806347
  H      -8.767103      3.469021      9.213562
  H      -9.794659      0.819155      4.714959
  H     -12.092496      4.765263      4.248373
  H     -12.260157      6.866458      5.592456
  H     -10.921034      7.124259      7.677818
  H      -9.434742      5.311809      8.444155
  N      -3.422261      4.213532      2.955090
  H      -2.749493      4.984554      2.944972
  H      -4.245605      4.534089      2.437249
  H      -3.018771      3.441936      2.419350
  N      -5.949368      3.547941      4.462193
  N      -7.044897      3.575610      4.102540
101
Coordinates from ORCA-job orca E -6314.511434338971
  N      -3.450135      1.748129      4.319309
  Mo     -4.154425      3.447899      5.154202
  N      -4.718896      2.835532      6.956475
  C      -3.698914      2.758130      7.995246
  C      -2.378294      2.351990      7.352002
  N      -2.139270      3.195943      6.146369
  C      -1.292364      2.507354      5.143531
  C      -2.072107      1.352323      4.508314
  C      -1.607656      4.533144      6.534082
  C      -2.242338      5.618279      5.659149
  N      -3.670318      5.381520      5.567672
  H      -1.585648      1.092061      3.543084
  H      -1.978769      0.439687      5.137398
  H      -1.045902      3.256182      4.376942
  H      -0.346188      2.154420      5.596933
  H      -2.010566      6.607415      6.093973
  H      -1.760370      5.609395      4.659867
  H      -1.905762      4.712767      7.575976
  H      -0.503301      4.534792      6.491053
  H      -3.962493      2.006049      8.762694
  H      -3.579470      3.721145      8.534648
  H      -2.454498      1.309196      7.018623
  H      -1.527429      2.433175      8.053120
  C      -4.214094      0.960144      3.378031
  C      -4.525637     -0.481585      3.819288
  C      -5.799997     -1.019815      3.125540
  C      -5.833636     -0.718735      1.652909
  N      -6.597934      0.300642      1.270003
  C      -6.575608      0.644386     -0.044197
  N      -5.880644      0.084259     -1.015598
  C      -5.107951     -0.986382     -0.653805
  C      -4.346423     -1.654748     -1.644163
  C      -3.560771     -2.736006     -1.301812
  C      -3.506404     -3.193465      0.035876
  C      -4.237594     -2.560006      1.020530
  C      -5.050209     -1.443377      0.700582
  C      -4.540082      6.363044      6.189112
  C      -4.577332      7.732664      5.482130
  C      -4.893118      7.649418      3.987941
  C      -6.268016      7.130433      3.648240
  N      -7.228265      7.282333      4.551122
  C      -8.467417      6.817228      4.236583
  N      -8.836326      6.173937      3.148495
  C      -7.859575      5.976803      2.213989
  C      -8.164810      5.238314      1.043521
  C      -7.207529      5.057503      0.067934
  C      -5.918429      5.621815      0.213553
  C      -5.589813      6.329686      1.353019
  C      -6.539724      6.497179      2.393364
  C      -6.032850      2.366792      7.355246
  C      -6.860685      3.376431      8.163104
  C      -8.284071      2.850815      8.453524
  C      -9.150820      2.842280      7.225201
  N      -9.155775      1.733449      6.491024
  C      -9.904650      1.737455      5.356155
  N     -10.678485      2.701631      4.900395
  C     -10.709966      3.844191      5.649068
  C     -11.540225      4.915271      5.235477
  C     -11.591570      6.077308      5.976081
  C     -10.806197      6.221870      7.144743
  C      -9.984668      5.196686      7.566699
  C      -9.926999      3.980840      6.838760
  H      -3.701251      0.916996      2.388690
  H      -5.170377      1.472580      3.202551
  H      -4.698156     -0.491993      4.907025
  H      -3.667711     -1.142511      3.618789
  H      -5.890356     -2.102562      3.302176
  H      -6.677486     -0.528743      3.569064
  H      -7.209775      1.497415     -0.312569
  H      -4.407547     -1.290118     -2.670520
  H      -2.977683     -3.249402     -2.068396
  H      -2.884188     -4.054311      0.286611
  H      -4.196311     -2.920824      2.048977
  H      -5.559067      5.950564      6.201475
  H      -4.260695      6.537183      7.250916
  H      -3.603660      8.237078      5.594510
  H      -5.324834      8.359013      5.991190
  H      -4.791306      8.652545      3.535515
  H      -4.139017      7.017226      3.499347
  H      -9.238734      6.989901      4.992401
  H      -9.165279      4.813985      0.951740
  H      -7.443156      4.482265     -0.829030
  H      -5.180168      5.490572     -0.579308
  H      -4.595045      6.766282      1.450439
  H      -5.934978      1.440606      7.960187
  H      -6.596656      2.089377      6.455923
  H      -6.360472      3.594953      9.120562
  H      -6.913561      4.324195      7.603577
  H      -8.217338      1.816398      8.823226
  H      -8.749335      3.457419      9.242804
  H      -9.854934      0.820288      4.760212
  H     -12.120783      4.789692      4.321093
  H     -12.231752      6.901440      5.654217
  H     -10.849152      7.153273      7.711497
  H      -9.377184      5.321091      8.463322
  N      -3.440299      4.224554      2.945152
  H      -2.774217      5.001299      2.938828
  H      -4.267194      4.541558      2.429934
  H      -3.030381      3.459197      2.405507
  N      -5.961492      3.535916      4.456343
  N      -7.058222      3.551907      4.099445
101
Coordinates from ORCA-job orca E -6314.511645997832
  N      -3.461483      1.758878      4.286042
  Mo     -4.167855      3.448156      5.138161
  N      -4.727719      2.825405      6.938004
  C      -3.706601      2.746184      7.976030
  C      -2.385963      2.345509      7.329553
  N      -2.150787      3.194270      6.126837
  C      -1.305311      2.511005      5.119100
  C      -2.085585      1.358534      4.481273
  C      -1.620155      4.530676      6.519429
  C      -2.258731      5.618706      5.651157
  N      -3.686686      5.380930      5.561850
  H      -1.596796      1.096688      3.517897
  H      -1.996825      0.445958      5.111050
  H      -1.062872      3.263415      4.354757
  H      -0.357436      2.157526      5.568150
  H      -2.026884      6.606421      6.089208
  H      -1.779073      5.613510      4.650776
  H      -1.915336      4.705004      7.563050
  H      -0.515980      4.533970      6.472963
  H      -3.967915      1.989817      8.740140
  H      -3.589354      3.706913      8.519705
  H      -2.460063      1.303393      6.993317
  H      -1.534345      2.426337      8.029682
  C      -4.221112      0.974295      3.338062
  C      -4.563507     -0.456542      3.791424
  C      -5.825747     -0.992659      3.074001
  C      -5.814956     -0.726929      1.594330
  N      -6.557157      0.289800      1.164210
  C      -6.495497      0.597368     -0.157547
  N      -5.780937      0.004924     -1.094880
  C      -5.029112     -1.062914     -0.683834
  C      -4.247517     -1.764528     -1.634826
  C      -3.482606     -2.843562     -1.242632
  C      -3.470020     -3.265987      0.107527
  C      -4.221706     -2.599793      1.054448
  C      -5.013734     -1.484342      0.683056
  C      -4.554548      6.355979      6.196444
  C      -4.596945      7.732369      5.503408
  C      -4.912059      7.664313      4.008543
  C      -6.281215      7.134213      3.663237
  N      -7.241379      7.260360      4.570364
  C      -8.475780      6.786140      4.250679
  N      -8.839660      6.156488      3.152988
  C      -7.862243      5.985374      2.213724
  C      -8.160541      5.262325      1.032131
  C      -7.202564      5.108493      0.052594
  C      -5.919954      5.685817      0.205001
  C      -5.598118      6.379187      1.354825
  C      -6.548265      6.518352      2.398963
  C      -6.040931      2.358744      7.341011
  C      -6.855324      3.360838      8.171161
  C      -8.278700      2.838940      8.466911
  C      -9.156672      2.852752      7.246502
  N      -9.178191      1.753623      6.498462
  C      -9.941833      1.776906      5.373688
  N     -10.717390      2.750800      4.941974
  C     -10.729075      3.885395      5.703661
  C     -11.556913      4.967794      5.314731
  C     -11.584410      6.123124      6.066979
  C     -10.777503      6.249979      7.222945
  C      -9.959972      5.212421      7.621991
  C      -9.926865      4.002627      6.882181
  H      -3.689898      0.913243      2.359654
  H      -5.165565      1.499573      3.136881
  H      -4.764420     -0.447642      4.874207
  H      -3.708187     -1.130118      3.623432
  H      -5.937531     -2.069357      3.273751
  H      -6.707737     -0.478304      3.481446
  H      -7.113856      1.448225     -0.465835
  H      -4.276584     -1.426621     -2.671701
  H      -2.883923     -3.382592     -1.978938
  H      -2.864016     -4.125759      0.397926
  H      -4.212617     -2.934069      2.092528
  H      -5.573114      5.942503      6.209222
  H      -4.271083      6.520005      7.258755
  H      -3.625071      8.239026      5.621275
  H      -5.346772      8.350817      6.018672
  H      -4.821743      8.674064      3.568638
  H      -4.150824      7.047134      3.511971
  H      -9.246779      6.936684      5.011634
  H      -9.155286      4.826041      0.934770
  H      -7.433182      4.544648     -0.852708
  H      -5.180867      5.575829     -0.590096
  H      -4.608822      6.826729      1.457568
  H      -5.944623      1.422643      7.930983
  H      -6.612803      2.097964      6.441984
  H      -6.345118      3.562573      9.126887
  H      -6.908387      4.317250      7.626853
  H      -8.214583      1.799203      8.821660
  H      -8.734363      3.437229      9.268132
  H      -9.905931      0.867072      4.765828
  H     -12.153550      4.856133      4.408895
  H     -12.221621      6.955950      5.763048
  H     -10.800886      7.177247      7.797521
  H      -9.335410      5.321751      8.508791
  N      -3.463906      4.243957      2.932599
  H      -2.804299      5.025976      2.931102
  H      -4.294043      4.558671      2.420690
  H      -3.048228      3.485544      2.387623
  N      -5.977658      3.529521      4.446844
  N      -7.075464      3.535089      4.092690
101
Coordinates from ORCA-job orca E -6314.511849307748
  N      -3.472188      1.770002      4.253141
  Mo     -4.177280      3.450538      5.124052
  N      -4.732409      2.816262      6.921316
  C      -3.709829      2.733068      7.958207
  C      -2.389949      2.336384      7.308019
  N      -2.158006      3.190395      6.108957
  C      -1.315583      2.512059      5.095354
  C      -2.098417      1.363912      4.454599
  C      -1.625629      4.524704      6.506581
  C      -2.266387      5.616444      5.645378
  N      -3.695241      5.381247      5.560303
  H      -1.607648      1.099502      3.493237
  H      -2.015455      0.451705      5.085775
  H      -1.075620      3.267991      4.333631
  H      -0.366495      2.155898      5.539683
  H      -2.031528      6.602452      6.085593
  H      -1.790481      5.612957      4.643282
  H      -1.916858      4.694213      7.552144
  H      -0.521615      4.527552      6.456151
  H      -3.969966      1.972445      8.718425
  H      -3.593024      3.690968      8.506533
  H      -2.463618      1.295384      6.968116
  H      -1.537045      2.415110      8.006790
  C      -4.225802      0.986991      3.298409
  C      -4.592958     -0.432120      3.769723
  C      -5.845094     -0.978597      3.042205
  C      -5.813340     -0.745250      1.557474
  N      -6.555931      0.255100      1.091548
  C      -6.476520      0.529844     -0.236770
  N      -5.742196     -0.078377     -1.148223
  C      -4.988346     -1.129261     -0.699658
  C      -4.184743     -1.845663     -1.620624
  C      -3.417045     -2.908124     -1.190261
  C      -3.423929     -3.298407      0.169567
  C      -4.197360     -2.616819      1.087596
  C      -4.992772     -1.518131      0.676730
  C      -4.555528      6.353048      6.210446
  C      -4.598328      7.733513      5.526593
  C      -4.913561      7.675191      4.031542
  C      -6.280718      7.142368      3.682927
  N      -7.241255      7.260796      4.590865
  C      -8.475925      6.790404      4.266328
  N      -8.840144      6.172556      3.162252
  C      -7.862179      6.008624      2.222215
  C      -8.161187      5.299320      1.032700
  C      -7.202605      5.153278      0.052296
  C      -5.918415      5.725342      0.212224
  C      -5.595689      6.404863      1.370153
  C      -6.547255      6.536771      2.413829
  C      -6.045322      2.351539      7.328177
  C      -6.851421      3.351275      8.168859
  C      -8.275429      2.833402      8.468960
  C      -9.161023      2.857822      7.253976
  N      -9.193317      1.763592      6.500011
  C      -9.967328      1.796051      5.382270
  N     -10.747333      2.773263      4.966603
  C     -10.746802      3.904164      5.734200
  C     -11.577088      4.990429      5.361466
  C     -11.589516      6.143250      6.118016
  C     -10.765658      6.263546      7.262626
  C      -9.947174      5.220903      7.646650
  C      -9.929028      4.013257      6.902373
  H      -3.676919      0.906918      2.331672
  H      -5.159032      1.522353      3.070753
  H      -4.814713     -0.397901      4.847738
  H      -3.739351     -1.114670      3.632403
  H      -5.964198     -2.050422      3.263107
  H      -6.731339     -0.453172      3.425247
  H      -7.097490      1.366326     -0.575851
  H      -4.199110     -1.532338     -2.665532
  H      -2.801044     -3.458759     -1.903384
  H      -2.815616     -4.145446      0.490438
  H      -4.202328     -2.925600      2.133425
  H      -5.575270      5.942621      6.228254
  H      -4.262999      6.508660      7.271537
  H      -3.625393      8.237575      5.647345
  H      -5.347010      8.350062      6.045812
  H      -4.827991      8.688275      3.598396
  H      -4.149284      7.065224      3.530368
  H      -9.246737      6.934202      5.028833
  H      -9.157095      4.867064      0.929027
  H      -7.434232      4.598751     -0.858636
  H      -5.178578      5.623439     -0.583313
  H      -4.605667      6.849442      1.478738
  H      -5.950364      1.410706      7.911059
  H      -6.622107      2.098417      6.429975
  H      -6.335481      3.545867      9.123078
  H      -6.904321      4.311547      7.631142
  H      -8.213806      1.791508      8.817793
  H      -8.725231      3.428942      9.275516
  H      -9.938888      0.890602      4.767653
  H     -12.186474      4.883294      4.463544
  H     -12.228368      6.978360      5.825821
  H     -10.777080      7.189492      7.839774
  H      -9.310410      5.324101      8.525591
  N      -3.486129      4.271351      2.923621
  H      -2.829215      5.055450      2.927373
  H      -4.317948      4.589203      2.416443
  H      -3.069426      3.518798      2.371336
  N      -5.989472      3.527799      4.438603
  N      -7.087515      3.524535      4.085509
101
Coordinates from ORCA-job orca E -6314.512027554069
  N      -3.471431      1.789658      4.214420
  Mo     -4.178993      3.460486      5.100353
  N      -4.738491      2.812275      6.891292
  C      -3.718163      2.721700      7.930038
  C      -2.396641      2.329694      7.280868
  N      -2.161490      3.191973      6.088324
  C      -1.317274      2.519268      5.072082
  C      -2.100930      1.375785      4.424033
  C      -1.628449      4.522885      6.496830
  C      -2.268033      5.621496      5.643195
  N      -3.697053      5.387034      5.556279
  H      -1.605478      1.110265      3.465397
  H      -2.026438      0.462142      5.054525
  H      -1.074899      3.279115      4.314897
  H      -0.369524      2.159104      5.516478
  H      -2.032660      6.604140      6.090479
  H      -1.791877      5.624922      4.641281
  H      -1.920662      4.684270      7.543421
  H      -0.524345      4.525486      6.447644
  H      -3.980533      1.956005      8.684300
  H      -3.602798      3.675860      8.485025
  H      -2.469042      1.290986      6.934060
  H      -1.545591      2.403831      7.982512
  C      -4.226593      1.008303      3.259585
  C      -4.622839     -0.398151      3.743701
  C      -5.865214     -0.936917      2.995567
  C      -5.786434     -0.742068      1.507356
  N      -6.491169      0.264386      0.997191
  C      -6.371614      0.503004     -0.335082
  N      -5.630389     -0.146772     -1.211646
  C      -4.914119     -1.203391     -0.717270
  C      -4.105622     -1.962311     -1.598952
  C      -3.375198     -3.031487     -1.122201
  C      -3.425702     -3.386170      0.246495
  C      -4.204894     -2.662818      1.126892
  C      -4.962324     -1.556317      0.668086
  C      -4.558187      6.348487      6.219676
  C      -4.609767      7.735272      5.549548
  C      -4.932363      7.687977      4.055220
  C      -6.297178      7.148068      3.707948
  N      -7.254588      7.250742      4.620902
  C      -8.485973      6.770353      4.298358
  N      -8.848896      6.156309      3.191589
  C      -7.874492      6.010551      2.245096
  C      -8.172997      5.310155      1.049763
  C      -7.219077      5.184690      0.061948
  C      -5.939762      5.767390      0.220658
  C      -5.616607      6.437074      1.384891
  C      -6.563789      6.549673      2.435120
  C      -6.052555      2.347513      7.294686
  C      -6.847688      3.336054      8.159170
  C      -8.270560      2.818309      8.464091
  C      -9.167606      2.863895      7.258345
  N      -9.212601      1.780273      6.489944
  C      -9.996100      1.832406      5.379466
  N     -10.773266      2.819776      4.983372
  C     -10.761265      3.939224      5.767309
  C     -11.590274      5.033758      5.417510
  C     -11.594522      6.174123      6.193090
  C     -10.762747      6.273134      7.334103
  C      -9.943747      5.222761      7.694760
  C      -9.933955      4.027574      6.930637
  H      -3.666211      0.907129      2.301964
  H      -5.148108      1.556233      3.013937
  H      -4.868450     -0.343801      4.815740
  H      -3.775891     -1.094060      3.636587
  H      -6.012157     -2.000329      3.239184
  H      -6.750511     -0.384576      3.340502
  H      -6.963094      1.345749     -0.711010
  H      -4.086097     -1.675808     -2.651441
  H      -2.754945     -3.614854     -1.805092
  H      -2.846449     -4.238958      0.604285
  H      -4.243507     -2.944001      2.179838
  H      -5.576217      5.933636      6.236809
  H      -4.262394      6.494710      7.281225
  H      -3.638731      8.243148      5.669642
  H      -5.358672      8.343194      6.078551
  H      -4.855579      8.705569      3.631056
  H      -4.166938      7.087241      3.544698
  H      -9.255074      6.901625      5.064757
  H      -9.165305      4.869735      0.946306
  H      -7.451100      4.638630     -0.854274
  H      -5.204448      5.682600     -0.581510
  H      -4.630105      6.889626      1.492985
  H      -5.959952      1.395445      7.859646
  H      -6.635416      2.115043      6.394728
  H      -6.322566      3.511879      9.112228
  H      -6.901301      4.306079      7.638795
  H      -8.209136      1.770964      8.796343
  H      -8.710857      3.402766      9.283926
  H      -9.978180      0.935133      4.752251
  H     -12.206485      4.942754      4.522520
  H     -12.234000      7.015504      5.919694
  H     -10.768553      7.189040      7.927139
  H      -9.301421      5.309828      8.571426
  N      -3.484201      4.306735      2.910311
  H      -2.831126      5.094070      2.926032
  H      -4.315799      4.626629      2.405060
  H      -3.062554      3.562619      2.350352
  N      -5.988753      3.540371      4.409507
  N      -7.085416      3.533012      4.052395
101
Coordinates from ORCA-job orca E -6314.512207218592
  N      -3.464721      1.805366      4.182144
  Mo     -4.175295      3.470052      5.078637
  N      -4.740527      2.809339      6.863461
  C      -3.723157      2.711705      7.904546
  C      -2.399614      2.323413      7.257754
  N      -2.160080      3.193349      6.071639
  C      -1.313353      2.526260      5.053776
  C      -2.096408      1.387076      4.398466
  C      -1.626554      4.520759      6.490417
  C      -2.263779      5.625264      5.642895
  N      -3.693145      5.392902      5.553473
  H      -1.596511      1.121252      3.442361
  H      -2.028487      0.472489      5.028439
  H      -1.067935      3.289727      4.301218
  H      -0.367322      2.162456      5.499022
  H      -2.027549      6.605013      6.096018
  H      -1.786936      5.633963      4.641493
  H      -1.920560      4.675263      7.537561
  H      -0.522329      4.522706      6.443574
  H      -3.988713      1.941906      8.653412
  H      -3.608978      3.662650      8.465177
  H      -2.470757      1.286892      6.904402
  H      -1.551023      2.393097      7.962813
  C      -4.219113      1.018589      3.230657
  C      -4.625488     -0.379264      3.731414
  C      -5.864366     -0.925303      2.983486
  C      -5.773223     -0.759623      1.492479
  N      -6.469465      0.239544      0.956757
  C      -6.341042      0.448898     -0.379809
  N      -5.598549     -0.223805     -1.237753
  C      -4.890739     -1.273063     -0.716735
  C      -4.082283     -2.055719     -1.577345
  C      -3.361618     -3.119230     -1.073497
  C      -3.421723     -3.443846      0.302280
  C      -4.200847     -2.696599      1.162555
  C      -4.948533     -1.595623      0.675546
  C      -4.551529      6.345716      6.232751
  C      -4.606288      7.740044      5.578679
  C      -4.935357      7.707826      4.085521
  C      -6.301133      7.169955      3.739660
  N      -7.253957      7.263631      4.658299
  C      -8.486315      6.784435      4.337842
  N      -8.854173      6.180339      3.227277
  C      -7.884978      6.045080      2.274140
  C      -8.190613      5.358443      1.072683
  C      -7.241902      5.241999      0.078705
  C      -5.960798      5.820477      0.237755
  C      -5.631004      6.477953      1.407390
  C      -6.573100      6.581624      2.463168
  C      -6.056181      2.343973      7.261981
  C      -6.846859      3.326606      8.137598
  C      -8.269172      2.809113      8.445967
  C      -9.172942      2.862143      7.245670
  N      -9.221254      1.783594      6.470432
  C     -10.008472      1.843471      5.362750
  N     -10.784777      2.834643      4.974843
  C     -10.771003      3.947986      5.767187
  C     -11.602393      5.043969      5.428069
  C     -11.609144      6.176857      6.214468
  C     -10.777028      6.266390      7.356033
  C      -9.954061      5.215282      7.705286
  C      -9.941578      4.027622      6.929803
  H      -3.652398      0.901897      2.278955
  H      -5.135683      1.569276      2.973295
  H      -4.878293     -0.306282      4.800780
  H      -3.780816     -1.080146      3.641551
  H      -6.017722     -1.983530      3.245244
  H      -6.749866     -0.363605      3.311362
  H      -6.926484      1.285671     -0.777504
  H      -4.055261     -1.792176     -2.635630
  H      -2.741374     -3.721123     -1.740166
  H      -2.849879     -4.292358      0.681609
  H      -4.247053     -2.953941      2.221298
  H      -5.569391      5.930333      6.250247
  H      -4.250158      6.479938      7.294318
  H      -3.634829      8.246817      5.699919
  H      -5.352998      8.342148      6.117403
  H      -4.861859      8.729791      3.671386
  H      -4.171899      7.112929      3.565401
  H      -9.251785      6.907521      5.109086
  H      -9.184772      4.922191      0.969279
  H      -7.479307      4.705823     -0.842010
  H      -5.229724      5.743213     -0.569064
  H      -4.643093      6.927328      1.515747
  H      -5.965715      1.386098      7.817279
  H      -6.640907      2.123029      6.360272
  H      -6.317410      3.493911      9.089870
  H      -6.900938      4.300846      7.625033
  H      -8.207415      1.759775      8.771921
  H      -8.704318      3.389205      9.271681
  H      -9.994147      0.950225      4.729801
  H     -12.219626      4.959548      4.533114
  H     -12.251408      7.019034      5.950157
  H     -10.785402      7.176031      7.958699
  H      -9.312449      5.296359      8.583157
  N      -3.476654      4.336574      2.898314
  H      -2.826221      5.125903      2.923074
  H      -4.307007      4.657962      2.391927
  H      -3.050715      3.597769      2.334529
  N      -5.981546      3.551548      4.378970
  N      -7.075912      3.540965      4.014754
101
Coordinates from ORCA-job orca E -6314.512387836709
  N      -3.456890      1.823924      4.146854
  Mo     -4.171875      3.481514      5.055147
  N      -4.740589      2.806077      6.833461
  C      -3.725347      2.701506      7.875871
  C      -2.399844      2.318856      7.230145
  N      -2.157572      3.198119      6.051302
  C      -1.308466      2.538860      5.030279
  C      -2.089728      1.403670      4.366957
  C      -1.624804      4.522034      6.481654
  C      -2.261935      5.632479      5.642093
  N      -3.691455      5.400664      5.551201
  H      -1.586352      1.139835      3.412263
  H      -2.025856      0.487287      4.994767
  H      -1.061790      3.307250      4.283219
  H      -0.363228      2.172181      5.474848
  H      -2.025502      6.609338      6.101354
  H      -1.785704      5.647642      4.640695
  H      -1.919773      4.668169      7.529765
  H      -0.520515      4.524724      6.436225
  H      -3.992739      1.926978      8.619161
  H      -3.612728      3.649005      8.442522
  H      -2.468670      1.284848      6.869232
  H      -1.553457      2.384385      7.938163
  C      -4.212405      1.027441      3.203560
  C      -4.622683     -0.362594      3.723653
  C      -5.860641     -0.918974      2.982396
  C      -5.764168     -0.783982      1.488586
  N      -6.452760      0.207733      0.929751
  C      -6.319947      0.387177     -0.410934
  N      -5.579973     -0.308938     -1.252120
  C      -4.879875     -1.350848     -0.706893
  C      -4.075492     -2.158027     -1.548470
  C      -3.363951     -3.215706     -1.019807
  C      -3.428646     -3.509321      0.362706
  C      -4.203399     -2.737296      1.204894
  C      -4.942287     -1.642095      0.691950
  C      -4.547564      6.341312      6.250283
  C      -4.607390      7.745608      5.618182
  C      -4.940162      7.734705      4.125680
  C      -6.305156      7.197610      3.775710
  N      -7.256306      7.276933      4.697529
  C      -8.488114      6.798856      4.373431
  N      -8.857286      6.210729      3.254772
  C      -7.890323      6.091971      2.297290
  C      -8.198755      5.424530      1.085898
  C      -7.252066      5.322767      0.088424
  C      -5.970036      5.897057      0.254773
  C      -5.637912      6.537089      1.433380
  C      -6.578336      6.626178      2.491904
  C      -6.057093      2.337880      7.226514
  C      -6.844786      3.312963      8.113452
  C      -8.265874      2.794195      8.425109
  C      -9.175345      2.853474      7.229530
  N      -9.224293      1.779777      6.447636
  C     -10.013845      1.845719      5.341842
  N     -10.788994      2.840095      4.959942
  C     -10.776023      3.947688      5.760244
  C     -11.608637      5.044978      5.428505
  C     -11.620214      6.170905      6.224700
  C     -10.791029      6.251595      7.369032
  C      -9.965052      5.199976      7.710040
  C      -9.947392      4.019511      6.924133
  H      -3.643416      0.896105      2.255487
  H      -5.126929      1.577536      2.938619
  H      -4.877039     -0.271400      4.791383
  H      -3.779230     -1.066461      3.646639
  H      -6.017206     -1.971802      3.263551
  H      -6.746102     -0.349847      3.296733
  H      -6.898674      1.218776     -0.828312
  H      -4.044659     -1.918122     -2.612263
  H      -2.747161     -3.836821     -1.671871
  H      -2.863757     -4.353435      0.761637
  H      -4.253430     -2.969880      2.269138
  H      -5.564743      5.924377      6.267142
  H      -4.240185      6.459664      7.312013
  H      -3.636727      8.252624      5.744497
  H      -5.353855      8.337952      6.167906
  H      -4.871191      8.762971      3.726613
  H      -4.176366      7.149870      3.594764
  H      -9.252333      6.908656      5.147891
  H      -9.193703      4.991051      0.978411
  H      -7.491183      4.800362     -0.839645
  H      -5.240168      5.830731     -0.554026
  H      -4.649323      6.983544      1.547116
  H      -5.967773      1.373915      7.771153
  H      -6.643108      2.129065      6.322839
  H      -6.311378      3.472318      9.064794
  H      -6.900432      4.291067      7.608689
  H      -8.202960      1.743090      8.745205
  H      -8.696271      3.369773      9.256444
  H     -10.002533      0.955626      4.704534
  H     -12.224039      4.966583      4.531728
  H     -12.263913      7.013813      5.966769
  H     -10.803384      7.155256      7.980618
  H      -9.326246      5.276526      8.590400
  N      -3.474184      4.370354      2.885327
  H      -2.827255      5.162187      2.918051
  H      -4.304365      4.692254      2.378659
  H      -3.043900      3.637038      2.317655
  N      -5.974685      3.562475      4.346762
  N      -7.066333      3.547716      3.974310
101
Coordinates from ORCA-job orca E -6314.512563625567
  N      -3.452310      1.842244      4.112093
  Mo     -4.170122      3.492817      5.032412
  N      -4.741011      2.803984      6.804748
  C      -3.727344      2.692490      7.847914
  C      -2.400652      2.314426      7.202198
  N      -2.156171      3.202310      6.030124
  C      -1.306026      2.550480      5.005198
  C      -2.086260      1.419720      4.334187
  C      -1.623270      4.522730      6.470988
  C      -2.260699      5.638818      5.639195
  N      -3.690402      5.408140      5.547913
  H      -1.580501      1.158733      3.380053
  H      -2.025574      0.500833      4.958629
  H      -1.059260      3.324058      4.263600
  H      -0.360992      2.180974      5.447617
  H      -2.023296      6.613136      6.103413
  H      -1.785976      5.658972      4.637356
  H      -1.918000      4.661263      7.520228
  H      -0.518994      4.525672      6.425736
  H      -3.996191      1.913599      8.586160
  H      -3.615481      3.636592      8.420204
  H      -2.467993      1.282794      6.834302
  H      -1.555925      2.375689      7.912457
  C      -4.210983      1.036069      3.178793
  C      -4.624032     -0.346814      3.716313
  C      -5.860402     -0.912763      2.980193
  C      -5.756184     -0.808063      1.484395
  N      -6.436663      0.175405      0.901928
  C      -6.297350      0.325332     -0.441730
  N      -5.558882     -0.393341     -1.264961
  C      -4.866876     -1.427348     -0.694926
  C      -4.064861     -2.257791     -1.515989
  C      -3.362281     -3.308361     -0.962028
  C      -3.433333     -3.571438      0.426277
  C      -4.205684     -2.776243      1.248903
  C      -4.935947     -1.687712      0.709599
  C      -4.543971      6.336009      6.266972
  C      -4.609012      7.749855      5.657126
  C      -4.945006      7.760681      4.165410
  C      -6.308857      7.224114      3.810214
  N      -7.258741      7.286873      4.734753
  C      -8.489920      6.810949      4.405331
  N      -8.860157      6.241503      3.277347
  C      -7.894510      6.140315      2.316397
  C      -8.204553      5.493830      1.094263
  C      -7.258964      5.408655      0.094331
  C      -5.976209      5.978812      0.269598
  C      -5.642871      6.599368      1.457863
  C      -6.582542      6.671953      2.518244
  C      -6.057921      2.332979      7.193072
  C      -6.842639      3.298869      8.092582
  C      -8.262081      2.777243      8.406395
  C      -9.175999      2.843144      7.214618
  N      -9.224391      1.774834      6.425219
  C     -10.017645      1.846184      5.322449
  N     -10.793869      2.842697      4.948066
  C     -10.781176      3.944811      5.755973
  C     -11.615244      5.043516      5.432268
  C     -11.628480      6.163640      6.236513
  C     -10.799463      6.236570      7.381440
  C      -9.971625      5.183678      7.714504
  C      -9.951787      4.009332      6.919829
  H      -3.641733      0.891837      2.233000
  H      -5.124299      1.585186      2.908190
  H      -4.880188     -0.240605      4.782278
  H      -3.781238     -1.052749      3.650407
  H      -6.021428     -1.959672      3.280435
  H      -6.745951     -0.335660      3.279678
  H      -6.869395      1.150956     -0.879314
  H      -4.028821     -2.041228     -2.584617
  H      -2.747682     -3.947611     -1.598363
  H      -2.875229     -4.410284      0.845210
  H      -4.260692     -2.984712      2.317814
  H      -5.560460      5.917571      6.282929
  H      -4.230857      6.438130      7.328700
  H      -3.639336      8.257370      5.788922
  H      -5.355630      8.331813      6.217590
  H      -4.880825      8.795229      3.782161
  H      -4.180374      7.186666      3.623874
  H      -9.252879      6.905288      5.183075
  H      -9.199743      5.062208      0.981534
  H      -7.499064      4.902093     -0.841995
  H      -5.246603      5.924419     -0.540197
  H      -4.653850      7.042989      1.578306
  H      -5.969906      1.362269      7.725685
  H      -6.645114      2.137361      6.287436
  H      -6.305239      3.449499      9.042922
  H      -6.900566      4.281272      7.596951
  H      -8.197328      1.724248      8.719811
  H      -8.688786      3.347406      9.243335
  H     -10.008612      0.959572      4.680483
  H     -12.230496      4.970714      4.534895
  H     -12.272644      7.007873      5.984616
  H     -10.812872      7.135395      8.000050
  H      -9.332983      5.256128      8.595334
  N      -3.475715      4.401998      2.872798
  H      -2.831779      5.195923      2.911655
  H      -4.306279      4.724399      2.366670
  H      -3.042022      3.673203      2.301958
  N      -5.970076      3.573608      4.317088
  N      -7.058914      3.555598      3.936180
101
Coordinates from ORCA-job orca E -6314.512743004838
  N      -3.452559      1.862225      4.072897
  Mo     -4.171650      3.505707      5.006541
  N      -4.742103      2.803120      6.773144
  C      -3.728476      2.682804      7.815383
  C      -2.401791      2.309301      7.167082
  N      -2.156458      3.207252      6.002780
  C      -1.306909      2.564320      4.971811
  C      -2.086690      1.438480      4.293060
  C      -1.622635      4.523484      6.454947
  C      -2.261594      5.645859      5.632753
  N      -3.691519      5.416538      5.542636
  H      -1.580303      1.182532      3.337824
  H      -2.026785      0.515827      4.912039
  H      -1.061863      3.344219      4.236254
  H      -0.360958      2.191978      5.409701
  H      -2.022453      6.617445      6.101848
  H      -1.790059      5.671083      4.629725
  H      -1.915408      4.653393      7.505873
  H      -0.518435      4.526653      6.408144
  H      -3.997948      1.898985      8.548202
  H      -3.615821      3.622711      8.394141
  H      -2.468703      1.280666      6.790783
  H      -1.557654      2.364950      7.878439
  C      -4.217614      1.042658      3.155782
  C      -4.625289     -0.334116      3.713264
  C      -5.860434     -0.914905      2.987265
  C      -5.753289     -0.842299      1.489692
  N      -6.431863      0.128385      0.884401
  C      -6.289766      0.248282     -0.461975
  N      -5.550479     -0.489083     -1.267649
  C      -4.860216     -1.510643     -0.673567
  C      -4.057502     -2.359797     -1.474690
  C      -3.356912     -3.398387     -0.896458
  C      -3.430622     -3.630768      0.497141
  C      -4.203602     -2.816949      1.300728
  C      -4.932044     -1.739736      0.736251
  C      -4.541851      6.328092      6.286008
  C      -4.613464      7.753195      5.703898
  C      -4.950043      7.790663      4.212793
  C      -6.310421      7.252137      3.847198
  N      -7.261094      7.290192      4.772451
  C      -8.489385      6.814317      4.432570
  N      -8.856830      6.269278      3.291568
  C      -7.890052      6.193701      2.329222
  C      -8.196855      5.573723      1.092674
  C      -7.249888      5.513745      0.092366
  C      -5.968514      6.082508      0.282560
  C      -5.638542      6.677796      1.484188
  C      -6.580209      6.725463      2.544105
  C      -6.058801      2.327927      7.156784
  C      -6.840692      3.281904      8.071258
  C      -8.258216      2.755869      8.386064
  C      -9.175804      2.830381      7.197581
  N      -9.222181      1.769335      6.398196
  C     -10.018470      1.847762      5.298246
  N     -10.796924      2.846189      4.933331
  C     -10.785450      3.941286      5.750848
  C     -11.620608      5.041889      5.436421
  C     -11.635460      6.155090      6.250199
  C     -10.807126      6.218609      7.396122
  C      -9.978098      5.163649      7.720275
  C      -9.955926      3.996637      6.915152
  H      -3.653580      0.887237      2.208812
  H      -5.133374      1.587223      2.884570
  H      -4.879284     -0.214694      4.778332
  H      -3.780634     -1.038607      3.654621
  H      -6.021335     -1.955591      3.308460
  H      -6.747210     -0.332848      3.273752
  H      -6.859763      1.064582     -0.919117
  H      -4.019347     -2.166843     -2.547769
  H      -2.742049     -4.052212     -1.517509
  H      -2.873997     -4.460703      0.935275
  H      -4.260663     -3.001642      2.373869
  H      -5.557476      5.907690      6.300214
  H      -4.222319      6.409889      7.347536
  H      -3.645912      8.262359      5.844718
  H      -5.362179      8.321093      6.275837
  H      -4.892759      8.832814      3.849642
  H      -4.181927      7.231944      3.660131
  H      -9.253040      6.886857      5.212107
  H      -9.190464      5.140965      0.970502
  H      -7.487192      5.027705     -0.855340
  H      -5.237015      6.046527     -0.526492
  H      -4.650761      7.120859      1.616053
  H      -5.971663      1.349282      7.674860
  H      -6.647306      2.147337      6.249069
  H      -6.298976      3.422124      9.020635
  H      -6.901798      4.269666      7.587037
  H      -8.191235      1.700525      8.690951
  H      -8.681554      3.318998      9.229363
  H     -10.010272      0.966077      4.649611
  H     -12.235296      4.976025      4.538131
  H     -12.279841      7.001120      6.005169
  H     -10.821489      7.111666      8.022942
  H      -9.339880      5.230526      8.601818
  N      -3.485031      4.436047      2.857574
  H      -2.844376      5.232411      2.900342
  H      -4.316820      4.757704      2.352729
  H      -3.048359      3.710977      2.284330
  N      -5.969126      3.587208      4.285768
  N      -7.054550      3.567713      3.894951
101
Coordinates from ORCA-job orca E -6314.512921497990
  N      -3.456556      1.878221      4.036158
  Mo     -4.174468      3.515868      4.981093
  N      -4.745160      2.803571      6.743140
  C      -3.731598      2.674385      7.784622
  C      -2.405655      2.302721      7.133693
  N      -2.158583      3.208393      5.975885
  C      -1.310589      2.571880      4.939788
  C      -2.091552      1.451192      4.254878
  C      -1.622121      4.520500      6.436931
  C      -2.261223      5.648639      5.622550
  N      -3.691494      5.422252      5.533708
  H      -1.584879      1.198969      3.298668
  H      -2.033401      0.525096      4.868857
  H      -1.066709      3.356787      4.209108
  H      -0.363967      2.196353      5.373345
  H      -2.019318      6.617754      6.095354
  H      -1.792547      5.676846      4.618400
  H      -1.912591      4.643756      7.489306
  H      -0.518013      4.522453      6.388182
  H      -4.002408      1.886526      8.512618
  H      -3.617126      3.610322      8.369140
  H      -2.474096      1.276748      6.750402
  H      -1.561692      2.352249      7.845696
  C      -4.228646      1.048225      3.134076
  C      -4.634294     -0.321670      3.709060
  C      -5.866286     -0.914599      2.988124
  C      -5.750335     -0.872430      1.490093
  N      -6.426771      0.084400      0.861025
  C      -6.277253      0.176378     -0.486596
  N      -5.532166     -0.576135     -1.272674
  C      -4.843523     -1.583875     -0.653525
  C      -4.034187     -2.447313     -1.432489
  C      -3.334755     -3.472199     -0.829292
  C      -3.416748     -3.676734      0.568184
  C      -4.196450     -2.848756      1.350492
  C      -4.923550     -1.784384      0.760265
  C      -4.537760      6.318433      6.299989
  C      -4.614758      7.753446      5.743674
  C      -4.953866      7.815195      4.254021
  C      -6.312041      7.276511      3.880678
  N      -7.262377      7.294143      4.806964
  C      -8.489401      6.821248      4.458599
  N      -8.856364      6.298006      3.307171
  C      -7.889385      6.242567      2.343478
  C      -8.195009      5.646016      1.095108
  C      -7.247672      5.606877      0.094245
  C      -5.966582      6.172559      0.296117
  C      -5.637734      6.744912      1.508852
  C      -6.580459      6.772393      2.568561
  C      -6.061778      2.326038      7.123748
  C      -6.839411      3.267660      8.054312
  C      -8.255247      2.736923      8.368764
  C      -9.175773      2.820695      7.183119
  N      -9.221583      1.766984      6.373923
  C     -10.022030      1.852944      5.277726
  N     -10.804512      2.852519      4.924364
  C     -10.791966      3.940949      5.750820
  C     -11.629094      5.043332      5.447915
  C     -11.641529      6.150341      6.270179
  C     -10.809371      6.205677      7.413738
  C      -9.979157      5.148378      7.727274
  C      -9.958932      3.987685      6.912960
  H      -3.669631      0.881851      2.186056
  H      -5.145458      1.590225      2.861009
  H      -4.890090     -0.190912      4.772319
  H      -3.788248     -1.025268      3.659577
  H      -6.030491     -1.948415      3.329217
  H      -6.754039     -0.325921      3.258232
  H      -6.846176      0.981776     -0.963966
  H      -3.989943     -2.275884     -2.508979
  H      -2.714761     -4.137041     -1.433291
  H      -2.861099     -4.496484      1.026285
  H      -4.259714     -3.012702      2.426652
  H      -5.552840      5.896785      6.312739
  H      -4.212080      6.380933      7.360919
  H      -3.648543      8.263231      5.891399
  H      -5.364257      8.308826      6.326804
  H      -4.902103      8.863688      3.908771
  H      -4.183915      7.269524      3.690926
  H      -9.252456      6.875761      5.240226
  H      -9.187704      5.213470      0.964900
  H      -7.484183      5.139698     -0.863028
  H      -5.234198      6.151933     -0.512666
  H      -4.650131      7.185384      1.650233
  H      -5.976213      1.339321      7.626791
  H      -6.652305      2.160612      6.214595
  H      -6.293107      3.395954      9.002723
  H      -6.903438      4.261602      7.583294
  H      -8.186017      1.679111      8.664328
  H      -8.676493      3.292481      9.218072
  H     -10.014252      0.976784      4.621677
  H     -12.246694      4.983946      4.551171
  H     -12.286692      6.998156      6.033443
  H     -10.821524      7.093979      8.047248
  H      -9.337761      5.208953      8.606948
  N      -3.492837      4.462659      2.840922
  H      -2.855122      5.261296      2.886102
  H      -4.325409      4.782778      2.336299
  H      -3.053103      3.739939      2.267138
  N      -5.969775      3.599881      4.256205
  N      -7.051861      3.580791      3.855899
101
Coordinates from ORCA-job orca E -6314.513103282753
  N      -3.464558      1.893237      3.996896
  Mo     -4.179391      3.525784      4.952348
  N      -4.749342      2.805769      6.710726
  C      -3.734772      2.666602      7.750437
  C      -2.410583      2.295545      7.095421
  N      -2.162046      3.208512      5.943978
  C      -1.316719      2.577609      4.902417
  C      -2.100247      1.462185      4.212626
  C      -1.621746      4.516141      6.413131
  C      -2.260918      5.650248      5.606854
  N      -3.691666      5.427462      5.520188
  H      -1.594361      1.213447      3.254892
  H      -2.043488      0.532645      4.821483
  H      -1.073891      3.366857      4.175928
  H      -0.369281      2.198502      5.331179
  H      -2.015429      6.616663      6.083313
  H      -1.795817      5.681266      4.601314
  H      -1.909086      4.632902      7.467118
  H      -0.517752      4.516287      6.361553
  H      -4.006832      1.874702      8.473503
  H      -3.617287      3.598212      8.340882
  H      -2.482363      1.272503      6.704966
  H      -1.565885      2.337743      7.807105
  C      -4.245600      1.052945      3.112153
  C      -4.649140     -0.308607      3.706629
  C      -5.877483     -0.914535      2.990819
  C      -5.751617     -0.904429      1.493206
  N      -6.428055      0.035625      0.839184
  C      -6.269522      0.099769     -0.508932
  N      -5.514041     -0.664601     -1.273495
  C      -4.824818     -1.655288     -0.628087
  C      -4.003760     -2.528968     -1.382979
  C      -3.302833     -3.537056     -0.753779
  C      -3.396051     -3.714546      0.646711
  C      -4.187555     -2.876243      1.405799
  C      -4.915404     -1.827740      0.788890
  C      -4.532646      6.305598      6.312739
  C      -4.615998      7.751539      5.786432
  C      -4.957459      7.840422      4.298782
  C      -6.312085      7.299694      3.915945
  N      -7.262530      7.293902      4.842288
  C      -8.486989      6.821563      4.484292
  N      -8.851699      6.320587      3.322208
  C      -7.884151      6.288598      2.358024
  C      -8.186774      5.716494      1.097323
  C      -7.238800      5.701860      0.096457
  C      -5.959319      6.266636      0.311105
  C      -5.633115      6.814647      1.535845
  C      -6.577426      6.818755      2.594567
  C      -6.065568      2.325586      7.089274
  C      -6.838186      3.253481      8.037468
  C      -8.252276      2.717242      8.350828
  C      -9.175744      2.811342      7.168171
  N      -9.221263      1.765885      6.348287
  C     -10.024560      1.861173      5.255062
  N     -10.810986      2.862014      4.914219
  C     -10.797972      3.942466      5.751066
  C     -11.637495      5.046427      5.461187
  C     -11.648376      6.145727      6.293817
  C     -10.812819      6.191806      7.435341
  C      -9.980655      5.132516      7.736543
  C      -9.961646      3.979446      6.911188
  H      -3.693965      0.874282      2.162079
  H      -5.163471      1.592795      2.837937
  H      -4.907734     -0.165335      4.767542
  H      -3.801595     -1.011021      3.668037
  H      -6.045488     -1.940508      3.353160
  H      -6.766023     -0.318919      3.242650
  H      -6.839484      0.891695     -1.007341
  H      -3.951688     -2.378584     -2.462263
  H      -2.673471     -4.209746     -1.339175
  H      -2.839686     -4.521792      1.125767
  H      -4.259263     -3.020833      2.484276
  H      -5.547088      5.882393      6.324054
  H      -4.199628      6.345814      7.372424
  H      -3.651661      8.262409      5.942454
  H      -5.366853      8.291888      6.381854
  H      -4.912963      8.895634      3.973530
  H      -4.184430      7.310586      3.725026
  H      -9.250263      6.856952      5.266836
  H      -9.177548      5.282542      0.957506
  H      -7.473287      5.254531     -0.870876
  H      -5.226115      6.264849     -0.497327
  H      -4.646543      7.253831      1.687964
  H      -5.980918      1.330554      7.576243
  H      -6.659007      2.175335      6.179361
  H      -6.286908      3.368344      8.984831
  H      -6.905583      4.254491      7.581684
  H      -8.180411      1.656708      8.635735
  H      -8.672114      3.264062      9.206428
  H     -10.015385      0.992032      4.589596
  H     -12.257992      4.994529      4.566001
  H     -12.295494      6.994846      6.066904
  H     -10.823813      7.074312      8.076898
  H      -9.336392      5.184860      8.614630
  N      -3.502651      4.487510      2.819322
  H      -2.868936      5.289367      2.865085
  H      -4.336220      4.803628      2.314052
  H      -3.059010      3.766382      2.246568
  N      -5.972799      3.613706      4.224658
  N      -7.051410      3.596834      3.814807
101
Coordinates from ORCA-job orca E -6314.513281578177
  N      -3.473369      1.905176      3.960166
  Mo     -4.184228      3.533536      4.924451
  N      -4.753551      2.808351      6.680188
  C      -3.737767      2.660442      7.718129
  C      -2.415591      2.288710      7.059284
  N      -2.165437      3.206935      5.912737
  C      -1.323075      2.579572      4.866778
  C      -2.110089      1.469066      4.173634
  C      -1.620747      4.510556      6.387807
  C      -2.259400      5.649783      5.588158
  N      -3.690777      5.431095      5.504172
  H      -1.605215      1.222139      3.214806
  H      -2.055679      0.537033      4.778773
  H      -1.080356      3.371694      4.143282
  H      -0.375291      2.196730      5.291633
  H      -2.009891      6.613755      6.067473
  H      -1.797867      5.682707      4.581256
  H      -1.905039      4.622401      7.443167
  H      -0.516875      4.508400      6.333421
  H      -4.011161      1.865272      8.437008
  H      -3.617328      3.588354      8.313438
  H      -2.491627      1.268144      6.663225
  H      -1.569863      2.323978      7.770202
  C      -4.262600      1.057511      3.089819
  C      -4.668353     -0.294456      3.702883
  C      -5.892304     -0.911807      2.989574
  C      -5.754349     -0.932564      1.493364
  N      -6.431576     -0.010748      0.814414
  C      -6.262579      0.026523     -0.533396
  N      -5.494162     -0.747122     -1.275602
  C      -4.803586     -1.719240     -0.604012
  C      -3.968173     -2.600489     -1.333885
  C      -3.265279     -3.590533     -0.678593
  C      -3.371968     -3.742261      0.724013
  C      -4.177809     -2.896077      1.458920
  C      -4.906655     -1.864774      0.815214
  C      -4.525072      6.291700      6.322796
  C      -4.613646      7.747986      5.826429
  C      -4.958785      7.863686      4.341593
  C      -6.310838      7.322440      3.951092
  N      -7.260677      7.297987      4.877728
  C      -8.483817      6.827771      4.512404
  N      -8.847795      6.345398      3.342273
  C      -7.880668      6.332149      2.377338
  C      -8.182504      5.781345      1.106862
  C      -7.235088      5.786810      0.105358
  C      -5.956280      6.349397      0.329460
  C      -5.630489      6.875953      1.563942
  C      -6.575085      6.861163      2.622388
  C      -6.069296      2.326020      7.058018
  C      -6.837252      3.242238      8.021018
  C      -8.249663      2.700932      8.333760
  C      -9.176247      2.802925      7.154155
  N      -9.222728      1.763777      6.326357
  C     -10.028543      1.866745      5.235687
  N     -10.818108      2.868532      4.905258
  C     -10.804083      3.942566      5.750248
  C     -11.646223      5.047362      5.471735
  C     -11.655454      6.140236      6.312836
  C     -10.816144      6.179232      7.451924
  C      -9.981653      5.118898      7.742259
  C      -9.964113      3.972074      6.907931
  H      -3.716634      0.865470      2.139127
  H      -5.179507      1.597475      2.812108
  H      -4.932814     -0.136976      4.760287
  H      -3.820239     -0.996741      3.678730
  H      -6.065850     -1.929570      3.372077
  H      -6.781175     -0.308770      3.221615
  H      -6.834861      0.803271     -1.052733
  H      -3.906803     -2.470315     -2.415310
  H      -2.624434     -4.269001     -1.244602
  H      -2.814705     -4.536034      1.224166
  H      -4.259676     -3.022395      2.539041
  H      -5.539157      5.867683      6.333675
  H      -4.183745      6.309875      7.380436
  H      -3.650476      8.258727      5.989812
  H      -5.364652      8.274037      6.434360
  H      -4.920663      8.924889      4.035540
  H      -4.183755      7.348549      3.757476
  H      -9.246343      6.847386      5.296146
  H      -9.172184      5.347512      0.959189
  H      -7.469391      5.356642     -0.869926
  H      -5.223420      6.363322     -0.479288
  H      -4.643950      7.312137      1.724476
  H      -5.984759      1.324424      7.531742
  H      -6.665782      2.187411      6.148195
  H      -6.281607      3.345797      8.967230
  H      -6.907893      4.249150      7.578461
  H      -8.174975      1.638270      8.609799
  H      -8.668840      3.240316      9.194393
  H     -10.018509      1.003276      4.562729
  H     -12.270056      5.001371      4.578561
  H     -12.304954      6.989941      6.094630
  H     -10.826134      7.057131      8.099786
  H      -9.334115      5.164064      8.618324
  N      -3.510445      4.507203      2.796006
  H      -2.881515      5.312874      2.841468
  H      -4.344991      4.817774      2.289165
  H      -3.062130      3.787358      2.225285
  N      -5.976187      3.625623      4.195161
  N      -7.051971      3.611260      3.777660
101
Coordinates from ORCA-job orca E -6314.513447075808
  N      -3.479027      1.917029      3.927391
  Mo     -4.186605      3.541029      4.900658
  N      -4.756035      2.809911      6.653449
  C      -3.739394      2.654417      7.689919
  C      -2.418702      2.282454      7.028286
  N      -2.166739      3.205432      5.886126
  C      -1.326731      2.581062      4.836604
  C      -2.117119      1.475463      4.139982
  C      -1.618199      4.505345      6.366831
  C      -2.255622      5.649285      5.572904
  N      -3.687773      5.434717      5.491299
  H      -1.612820      1.229257      3.180746
  H      -2.066321      0.541704      4.742651
  H      -1.083002      3.375557      4.116040
  H      -0.379312      2.194168      5.258706
  H      -2.002206      6.610953      6.054824
  H      -1.797148      5.684121      4.564923
  H      -1.900558      4.612846      7.423186
  H      -0.514411      4.500932      6.310775
  H      -4.014213      1.856258      8.404877
  H      -3.616809      3.579104      8.289542
  H      -2.498273      1.264081      6.627351
  H      -1.572327      2.311632      7.738720
  C      -4.274483      1.064878      3.066785
  C      -4.687117     -0.277201      3.696225
  C      -5.906327     -0.903507      2.982827
  C      -5.754541     -0.953581      1.488770
  N      -6.428059     -0.047284      0.785567
  C      -6.247290     -0.036411     -0.561223
  N      -5.469137     -0.821579     -1.280875
  C      -4.781847     -1.778005     -0.583930
  C      -3.936307     -2.670024     -1.288556
  C      -3.237087     -3.645361     -0.607562
  C      -3.358232     -3.771291      0.796454
  C      -4.174044     -2.913884      1.507043
  C      -4.898566     -1.896746      0.836732
  C      -4.515268      6.280989      6.331582
  C      -4.607100      7.745373      5.859974
  C      -4.957370      7.883549      4.378230
  C      -6.308928      7.344139      3.984001
  N      -7.256486      7.307201      4.912565
  C      -8.479986      6.839992      4.544495
  N      -8.846697      6.373060      3.369046
  C      -7.882282      6.373389      2.401431
  C      -8.188104      5.841404      1.123940
  C      -7.243584      5.860848      0.119826
  C      -5.963353      6.418092      0.348680
  C      -5.633652      6.926332      1.589987
  C      -6.575796      6.898387      2.650352
  C      -6.071417      2.325229      7.030148
  C      -6.836088      3.232379      8.004110
  C      -8.246841      2.686876      8.317139
  C      -9.176650      2.793923      7.140552
  N      -9.223352      1.759383      6.307052
  C     -10.030529      1.867847      5.217830
  N     -10.821269      2.870777      4.894065
  C     -10.807912      3.939559      5.745644
  C     -11.652370      5.044510      5.475062
  C     -11.663327      6.131543      6.323657
  C     -10.823457      6.164595      7.462556
  C      -9.986127      5.104425      7.744854
  C      -9.966794      3.963348      6.902659
  H      -3.730586      0.858960      2.117969
  H      -5.188324      1.607132      2.783339
  H      -4.959700     -0.103623      4.749044
  H      -3.839728     -0.980684      3.689448
  H      -6.087183     -1.913146      3.383250
  H      -6.794987     -0.292859      3.194498
  H      -6.817865      0.727519     -1.100928
  H      -3.864509     -2.560034     -2.371585
  H      -2.588229     -4.332185     -1.154051
  H      -2.804381     -4.554117      1.317219
  H      -4.267107     -3.021026      2.588338
  H      -5.529322      5.857008      6.343031
  H      -4.165902      6.281184      7.386769
  H      -3.644072      8.254749      6.028216
  H      -5.356700      8.260336      6.479000
  H      -4.923604      8.949386      4.088208
  H      -4.182550      7.379418      3.784349
  H      -9.240457      6.849066      5.330340
  H      -9.178666      5.411062      0.972080
  H      -7.481278      5.445398     -0.861063
  H      -5.232799      6.443034     -0.461938
  H      -4.645708      7.357662      1.754735
  H      -5.986257      1.318923      7.493771
  H      -6.670339      2.195338      6.120604
  H      -6.277168      3.327640      8.949275
  H      -6.909365      4.243358      7.571249
  H      -8.169390      1.622727      8.586571
  H      -8.665281      3.220405      9.181804
  H     -10.019973      1.008415      4.539659
  H     -12.277106      5.003264      4.582292
  H     -12.315100      6.981140      6.111872
  H     -10.835190      7.038147      8.116269
  H      -9.337852      5.144290      8.620626
  N      -3.514535      4.527869      2.776944
  H      -2.890748      5.337363      2.824313
  H      -4.350123      4.833958      2.269260
  H      -3.061341      3.811002      2.206304
  N      -5.977325      3.637228      4.169817
  N      -7.051295      3.624304      3.747369
101
Coordinates from ORCA-job orca E -6314.513603204995
  N      -3.483176      1.924551      3.903157
  Mo     -4.187039      3.545224      4.883805
  N      -4.757254      2.810062      6.634358
  C      -3.739906      2.648605      7.669640
  C      -2.420629      2.275320      7.006087
  N      -2.166537      3.201104      5.866745
  C      -1.328739      2.577744      4.814955
  C      -2.122981      1.476854      4.115598
  C      -1.614168      4.498067      6.351071
  C      -2.248801      5.645566      5.560133
  N      -3.681930      5.436046      5.480507
  H      -1.619423      1.230133      3.156328
  H      -2.076754      0.542195      4.717046
  H      -1.082778      3.373466      4.096556
  H      -0.382419      2.186505      5.235542
  H      -1.991099      6.605617      6.043070
  H      -1.792624      5.680488      4.551361
  H      -1.895931      4.603481      7.407822
  H      -0.510412      4.490776      6.294671
  H      -4.016330      1.848482      8.381755
  H      -3.615437      3.571018      8.272197
  H      -2.504015      1.258516      6.601961
  H      -1.573646      2.299326      7.715948
  C      -4.283480      1.072562      3.046290
  C      -4.708771     -0.260255      3.686995
  C      -5.921100     -0.892003      2.966884
  C      -5.750699     -0.966423      1.475849
  N      -6.415936     -0.072207      0.749706
  C      -6.219442     -0.083929     -0.594947
  N      -5.432188     -0.880064     -1.292136
  C      -4.752864     -1.824475     -0.571375
  C      -3.898448     -2.727425     -1.250823
  C      -3.208140     -3.691819     -0.545390
  C      -3.347483     -3.795531      0.858756
  C      -4.171954     -2.926663      1.545162
  C      -4.887198     -1.920151      0.849430
  C      -4.502708      6.273720      6.335931
  C      -4.595309      7.743439      5.880842
  C      -4.953437      7.897829      4.402387
  C      -6.307730      7.363599      4.010769
  N      -7.250515      7.323591      4.944079
  C      -8.477504      6.862617      4.579724
  N      -8.852409      6.406242      3.402868
  C      -7.893794      6.411188      2.429626
  C      -8.210439      5.893445      1.149126
  C      -7.271822      5.916592      0.139484
  C      -5.986751      6.463274      0.366058
  C      -5.646937      6.958549      1.610006
  C      -6.583130      6.927375      2.675460
  C      -6.072461      2.323690      7.010302
  C      -6.835341      3.225665      7.990296
  C      -8.244949      2.677503      8.303829
  C      -9.177403      2.787535      7.129643
  N      -9.224426      1.755968      6.292545
  C     -10.031831      1.868506      5.203758
  N     -10.821980      2.872943      4.883635
  C     -10.809763      3.937791      5.740113
  C     -11.655480      5.042975      5.474453
  C     -11.669393      6.125183      6.329072
  C     -10.830964      6.153220      7.469185
  C      -9.991458      5.093422      7.746166
  C      -9.969186      3.957134      6.897632
  H      -3.738443      0.853937      2.101151
  H      -5.191817      1.620160      2.755549
  H      -4.994119     -0.070784      4.733697
  H      -3.863245     -0.965833      3.701204
  H      -6.111904     -1.894521      3.380577
  H      -6.809309     -0.273736      3.156813
  H      -6.784621      0.669860     -1.153950
  H      -3.813012     -2.634838     -2.334498
  H      -2.552350     -4.387169     -1.072471
  H      -2.801109     -4.570329      1.398990
  H      -4.279324     -3.016717      2.626649
  H      -5.517237      5.851071      6.349306
  H      -4.146173      6.261981      7.388686
  H      -3.630984      8.250038      6.049801
  H      -5.341278      8.252143      6.509290
  H      -4.921068      8.966670      4.123554
  H      -4.182313      7.399288      3.799108
  H      -9.233115      6.867239      5.370207
  H      -9.204780      5.471552      0.998387
  H      -7.518052      5.511645     -0.843684
  H      -5.260864      6.490950     -0.448636
  H      -4.655161      7.381626      1.773023
  H      -5.986109      1.314979      7.468330
  H      -6.672994      2.198046      6.101200
  H      -6.274742      3.316051      8.934888
  H      -6.910066      4.238784      7.562873
  H      -8.165465      1.612416      8.568930
  H      -8.662938      3.207026      9.171218
  H     -10.021464      1.011541      4.522457
  H     -12.279561      5.005684      4.581051
  H     -12.322600      6.974654      6.121524
  H     -10.845496      7.023170      8.127671
  H      -9.343862      5.129130      8.622604
  N      -3.514596      4.542729      2.763166
  H      -2.894980      5.355132      2.813134
  H      -4.351430      4.846147      2.256096
  H      -3.057950      3.829286      2.190938
  N      -5.977108      3.646070      4.152511
  N      -7.050675      3.634684      3.728698
101
Coordinates from ORCA-job orca E -6314.513745543622
  N      -3.486025      1.939158      3.875547
  Mo     -4.188306      3.553529      4.868328
  N      -4.757050      2.807846      6.614732
  C      -3.738611      2.640148      7.647959
  C      -2.420180      2.269643      6.981443
  N      -2.166281      3.201720      5.847025
  C      -1.330449      2.583490      4.790753
  C      -2.126882      1.487508      4.086709
  C      -1.612033      4.495226      6.338296
  C      -2.245965      5.647212      5.553619
  N      -3.679798      5.440716      5.476067
  H      -1.624019      1.242540      3.126792
  H      -2.083573      0.550995      4.685523
  H      -1.084446      3.382909      4.076525
  H      -0.384238      2.188592      5.207981
  H      -1.985328      6.605088      6.039348
  H      -1.792387      5.685070      4.543914
  H      -1.893106      4.595577      7.395742
  H      -0.508308      4.486853      6.281415
  H      -4.015053      1.836693      8.356338
  H      -3.613072      3.559557      8.254760
  H      -2.504457      1.255035      6.572005
  H      -1.572687      2.289351      7.690735
  C      -4.289745      1.086077      3.022046
  C      -4.726691     -0.238416      3.672960
  C      -5.931274     -0.876497      2.946207
  C      -5.740688     -0.977959      1.459041
  N      -6.389481     -0.092600      0.707843
  C      -6.176028     -0.131506     -0.633781
  N      -5.387405     -0.947300     -1.305900
  C      -4.724717     -1.883293     -0.559097
  C      -3.870770     -2.807082     -1.210541
  C      -3.198452     -3.764073     -0.478293
  C      -3.355119     -3.839182      0.925771
  C      -4.179105     -2.949344      1.585384
  C      -4.876821     -1.950096      0.861512
  C      -4.495519      6.270218      6.344173
  C      -4.589527      7.744259      5.903966
  C      -4.953792      7.913231      4.428598
  C      -6.309330      7.381386      4.037714
  N      -7.248283      7.331987      4.974537
  C      -8.476340      6.873021      4.611334
  N      -8.856631      6.430295      3.430951
  C      -7.902421      6.446554      2.453402
  C      -8.225992      5.945525      1.168187
  C      -7.291464      5.977949      0.155019
  C      -6.003734      6.517697      0.383254
  C      -5.657903      6.998397      1.630944
  C      -6.589857      6.957945      2.699576
  C      -6.071777      2.318301      6.988305
  C      -6.832813      3.213091      7.976289
  C      -8.241240      2.662498      8.290223
  C      -9.176186      2.779033      7.118654
  N      -9.221537      1.753366      6.274226
  C     -10.028955      1.872348      5.186125
  N     -10.817855      2.879475      4.871304
  C     -10.807951      3.937894      5.735796
  C     -11.653529      5.044644      5.476119
  C     -11.671888      6.119758      6.339524
  C     -10.837662      6.138578      7.482863
  C      -9.997335      5.077682      7.753593
  C      -9.970291      3.948790      6.895628
  H      -3.741719      0.855888      2.081695
  H      -5.193285      1.637743      2.724377
  H      -5.024242     -0.033591      4.713397
  H      -3.882818     -0.945304      3.707302
  H      -6.132185     -1.871393      3.373327
  H      -6.819477     -0.251561      3.113338
  H      -6.727948      0.615685     -1.214273
  H      -3.771389     -2.736436     -2.294673
  H      -2.543261     -4.475671     -0.983967
  H      -2.822569     -4.608480      1.487234
  H      -4.300182     -3.016197      2.667032
  H      -5.510321      5.848293      6.358684
  H      -4.133185      6.248309      7.394762
  H      -3.624531      8.249130      6.074245
  H      -5.332966      8.246834      6.540268
  H      -4.924390      8.985065      4.161319
  H      -4.184961      7.422102      3.816328
  H      -9.228357      6.867775      5.405337
  H      -9.222457      5.528834      1.017050
  H      -7.542845      5.585338     -0.831707
  H      -5.280608      6.551722     -0.433521
  H      -4.664506      7.417512      1.794451
  H      -5.984556      1.306090      7.438166
  H      -6.673825      2.200628      6.079218
  H      -6.270047      3.297103      8.920089
  H      -6.908479      4.228703      7.555379
  H      -8.160619      1.595856      8.548715
  H      -8.656753      3.186328      9.162207
  H     -10.019035      1.019442      4.499825
  H     -12.274407      5.014135      4.580226
  H     -12.324914      6.970497      6.136853
  H     -10.855868      7.002530      8.149095
  H      -9.353076      5.108033      8.632698
  N      -3.521468      4.567556      2.754089
  H      -2.907046      5.383471      2.809836
  H      -4.360859      4.869633      2.250176
  H      -3.061037      3.860847      2.176584
  N      -5.978446      3.657896      4.137628
  N      -7.052163      3.646066      3.713951
101
Coordinates from ORCA-job orca E -6314.513883607357
  N      -3.496262      1.940359      3.861315
  Mo     -4.192519      3.552702      4.859841
  N      -4.756140      2.806638      6.607178
  C      -3.733764      2.636324      7.636539
  C      -2.418621      2.263749      6.964709
  N      -2.166904      3.195945      5.829991
  C      -1.335834      2.576484      4.770740
  C      -2.137755      1.483777      4.067603
  C      -1.608816      4.488311      6.319757
  C      -2.241308      5.641237      5.535508
  N      -3.676248      5.439625      5.463276
  H      -1.639080      1.238699      3.105783
  H      -2.095905      0.546655      4.665316
  H      -1.089118      3.375791      4.056673
  H      -0.389815      2.178038      5.185037
  H      -1.975585      6.598964      6.018833
  H      -1.792086      5.676402      4.523921
  H      -1.888431      4.589948      7.377489
  H      -0.505168      4.477340      6.261420
  H      -4.008784      1.832485      8.344995
  H      -3.605403      3.555136      8.243475
  H      -2.507800      1.249849      6.554505
  H      -1.568134      2.280301      7.670469
  C      -4.305843      1.094688      3.005449
  C      -4.764002     -0.221215      3.658979
  C      -5.954131     -0.860876      2.910596
  C      -5.730262     -0.981192      1.429326
  N      -6.356969     -0.101630      0.652935
  C      -6.113819     -0.158378     -0.683079
  N      -5.315318     -0.986638     -1.327520
  C      -4.675416     -1.917623     -0.554880
  C      -3.813769     -2.855242     -1.175593
  C      -3.165232     -3.808078     -0.416844
  C      -3.353818     -3.864841      0.984089
  C      -4.185529     -2.960855      1.614186
  C      -4.859529     -1.965758      0.862708
  C      -4.484208      6.264129      6.343619
  C      -4.578363      7.742095      5.916312
  C      -4.951712      7.924672      4.444778
  C      -6.310334      7.397054      4.058583
  N      -7.244525      7.348069      5.000203
  C      -8.476289      6.894681      4.642557
  N      -8.865443      6.459856      3.462213
  C      -7.916959      6.476953      2.479174
  C      -8.251681      5.986275      1.192968
  C      -7.322804      6.017602      0.174472
  C      -6.029778      6.546087      0.398562
  C      -5.673691      7.017947      1.646806
  C      -6.599737      6.979032      2.720484
  C      -6.069495      2.314982      6.983444
  C      -6.830368      3.209834      7.971329
  C      -8.238127      2.658002      8.286548
  C      -9.174891      2.776835      7.116556
  N      -9.220106      1.753830      6.268996
  C     -10.026479      1.876725      5.180470
  N     -10.814324      2.885267      4.868063
  C     -10.806248      3.940030      5.736985
  C     -11.652222      5.047226      5.480685
  C     -11.673742      6.118040      6.349220
  C     -10.842406      6.132054      7.494756
  C     -10.001070      5.071098      7.761959
  C      -9.970439      3.946603      6.898243
  H      -3.755428      0.854580      2.069128
  H      -5.200780      1.656706      2.700878
  H      -5.085410     -0.002404      4.689415
  H      -3.923370     -0.929875      3.722422
  H      -6.171577     -1.849568      3.344132
  H      -6.841558     -0.227862      3.048675
  H      -6.648433      0.584492     -1.284866
  H      -3.689598     -2.798805     -2.258011
  H      -2.504011     -4.530339     -0.899019
  H      -2.840112     -4.631212      1.566669
  H      -4.331458     -3.013071      2.693507
  H      -5.499803      5.844297      6.361434
  H      -4.114516      6.233464      7.391454
  H      -3.611814      8.244239      6.085633
  H      -5.317582      8.239886      6.561207
  H      -4.924087      8.998952      4.187372
  H      -4.187196      7.439002      3.823225
  H      -9.223011      6.886985      5.441499
  H      -9.252414      5.579050      1.044411
  H      -7.582991      5.632491     -0.812948
  H      -5.310863      6.578628     -0.421977
  H      -4.676190      7.428652      1.806648
  H      -5.978623      1.303709      7.434532
  H      -6.673079      2.193602      6.075775
  H      -6.267204      3.294230      8.914841
  H      -6.906923      4.225183      7.550006
  H      -8.156382      1.590820      8.542479
  H      -8.652993      3.179423      9.160268
  H     -10.016166      1.025954      4.491510
  H     -12.271300      5.020630      4.583427
  H     -12.327420      6.968880      6.149408
  H     -10.863910      6.992651      8.165255
  H      -9.358599      5.097295      8.642466
  N      -3.531484      4.570561      2.741823
  H      -2.922462      5.390444      2.796388
  H      -4.375368      4.867618      2.242773
  H      -3.069337      3.867726      2.160925
  N      -5.985380      3.661494      4.136702
  N      -7.061774      3.652914      3.719573
101
Coordinates from ORCA-job orca E -6314.514023954559
  N      -3.498362      1.955934      3.838755
  Mo     -4.193724      3.560333      4.849982
  N      -4.753717      2.803782      6.593817
  C      -3.729962      2.630242      7.621239
  C      -2.415521      2.261445      6.946169
  N      -2.166219      3.198455      5.814808
  C      -1.337390      2.583159      4.751448
  C      -2.141537      1.494653      4.044743
  C      -1.607147      4.488669      6.309169
  C      -2.240438      5.644813      5.530462
  N      -3.675808      5.444720      5.461052
  H      -1.643331      1.251168      3.082371
  H      -2.102489      0.555625      4.639782
  H      -1.091412      3.385622      4.040691
  H      -0.391126      2.181909      5.162233
  H      -1.972717      6.600915      6.015908
  H      -1.793944      5.682552      4.517737
  H      -1.885755      4.586354      7.367539
  H      -0.503557      4.477502      6.249800
  H      -4.003423      1.823673      8.327221
  H      -3.601533      3.546968      8.231224
  H      -2.504097      1.248990      6.532263
  H      -1.564134      2.276221      7.650822
  C      -4.309316      1.117495      2.976787
  C      -4.793557     -0.188834      3.630394
  C      -5.970534     -0.825599      2.859952
  C      -5.708585     -0.974257      1.387425
  N      -6.294212     -0.094708      0.579568
  C      -6.018136     -0.181725     -0.748290
  N      -5.225177     -1.041402     -1.357441
  C      -4.627678     -1.972924     -0.552118
  C      -3.776182     -2.944318     -1.133783
  C      -3.170900     -3.898225     -0.341695
  C      -3.392926     -3.922027      1.055201
  C      -4.215413     -2.984895      1.647706
  C      -4.846798     -1.988714      0.861198
  C      -4.480623      6.263652      6.349446
  C      -4.576832      7.744019      5.931647
  C      -4.957359      7.936144      4.463208
  C      -6.316937      7.408773      4.079581
  N      -7.247290      7.352301      5.024599
  C      -8.479928      6.899898      4.668965
  N      -8.873961      6.474078      3.486812
  C      -7.929317      6.498939      2.500075
  C      -8.269101      6.018004      1.211521
  C      -7.343885      6.056087      0.190023
  C      -6.049672      6.582201      0.413347
  C      -5.688946      7.045266      1.663244
  C      -6.611117      6.999377      2.739997
  C      -6.066203      2.310114      6.970031
  C      -6.824373      3.198663      7.965676
  C      -8.230812      2.644114      8.281764
  C      -9.170222      2.769677      7.114607
  N      -9.213812      1.753188      6.259087
  C     -10.022642      1.881937      5.173190
  N     -10.813113      2.891119      4.869256
  C     -10.805860      3.939610      5.745813
  C     -11.653621      5.047489      5.498137
  C     -11.675653      6.112267      6.374017
  C     -10.843330      6.119165      7.518903
  C     -10.000558      5.057266      7.778026
  C      -9.968833      3.939018      6.906258
  H      -3.749924      0.866820      2.048897
  H      -5.193450      1.689720      2.659451
  H      -5.137544      0.042467      4.650773
  H      -3.959829     -0.902789      3.720595
  H      -6.212486     -1.804268      3.302926
  H      -6.853338     -0.179469      2.964205
  H      -6.518523      0.562758     -1.376943
  H      -3.624884     -2.912605     -2.213741
  H      -2.517732     -4.646574     -0.794096
  H      -2.912169     -4.689048      1.664457
  H      -4.386935     -3.010440      2.724170
  H      -5.496204      5.843776      6.368100
  H      -4.107250      6.226905      7.395778
  H      -3.609660      8.245447      6.099680
  H      -5.313282      8.237573      6.582999
  H      -4.933213      9.012464      4.214152
  H      -4.195169      7.456891      3.833966
  H      -9.222873      6.884089      5.471320
  H      -9.270624      5.612259      1.064197
  H      -7.608029      5.678638     -0.799184
  H      -5.333244      6.619437     -0.409125
  H      -4.690840      7.454970      1.821869
  H      -5.974708      1.295836      7.414199
  H      -6.671875      2.195689      6.062986
  H      -6.258281      3.277721      8.907872
  H      -6.902204      4.216276      7.550271
  H      -8.147658      1.575407      8.530777
  H      -8.643016      3.159636      9.160184
  H     -10.012574      1.035683      4.478768
  H     -12.273211      5.026360      4.601078
  H     -12.330084      6.963963      6.180527
  H     -10.865254      6.974761      8.195711
  H      -9.357694      5.078972      8.658389
  N      -3.540278      4.592684      2.736700
  H      -2.936295      5.415833      2.797737
  H      -4.387815      4.889433      2.243678
  H      -3.075621      3.898201      2.147920
  N      -5.988329      3.670957      4.131154
  N      -7.066316      3.661153      3.717982
101
Coordinates from ORCA-job orca E -6314.514150170830
  N      -3.503821      1.971750      3.816435
  Mo     -4.196556      3.568416      4.840449
  N      -4.748854      2.802883      6.582599
  C      -3.721912      2.627525      7.606582
  C      -2.409378      2.262105      6.926190
  N      -2.165215      3.202617      5.796683
  C      -1.340699      2.589862      4.728531
  C      -2.148690      1.505203      4.020375
  C      -1.604307      4.491334      6.292942
  C      -2.240546      5.649926      5.520273
  N      -3.676406      5.450801      5.456767
  H      -1.652225      1.263374      3.056685
  H      -2.111448      0.563964      4.612266
  H      -1.096078      3.394475      4.019714
  H      -0.393663      2.185842      5.134733
  H      -1.970126      6.604785      6.006640
  H      -1.799127      5.689521      4.505403
  H      -1.879602      4.585960      7.352477
  H      -0.500903      4.480211      6.230194
  H      -3.992293      1.819003      8.311467
  H      -3.592374      3.542795      8.218412
  H      -2.497626      1.250645      6.509813
  H      -1.555716      2.276294      7.628092
  C      -4.316422      1.145058      2.944759
  C      -4.835487     -0.149031      3.594581
  C      -5.996443     -0.779251      2.795566
  C      -5.688165     -0.960312      1.335721
  N      -6.220653     -0.079861      0.492448
  C      -5.902259     -0.199692     -0.823281
  N      -5.116099     -1.094522     -1.389639
  C      -4.573723     -2.027100     -0.547590
  C      -3.734379     -3.035332     -1.082522
  C      -3.184182     -3.990663     -0.253082
  C      -3.450011     -3.978642      1.136302
  C      -4.261693     -3.005411      1.683572
  C      -4.838291     -2.007863      0.857839
  C      -4.476706      6.261930      6.356430
  C      -4.576870      7.745187      5.950735
  C      -4.964295      7.948084      4.485569
  C      -6.322669      7.417298      4.102051
  N      -7.250347      7.349069      5.049001
  C      -8.481849      6.894133      4.692807
  N      -8.877417      6.476799      3.507965
  C      -7.935108      6.513092      2.519276
  C      -8.275723      6.040498      1.227670
  C      -7.353081      6.090604      0.204488
  C      -6.060557      6.620547      0.429038
  C      -5.698826      7.075104      1.681666
  C      -6.618436      7.017090      2.760152
  C      -6.059450      2.306386      6.961274
  C      -6.815651      3.189877      7.962898
  C      -8.220025      2.631278      8.281341
  C      -9.162464      2.760798      7.117088
  N      -9.202599      1.750243      6.254301
  C     -10.014262      1.882377      5.171143
  N     -10.810401      2.889666      4.875572
  C     -10.805842      3.932516      5.758866
  C     -11.657822      5.038968      5.519381
  C     -11.681215      6.098749      6.401208
  C     -10.846799      6.101850      7.544609
  C     -10.000572      5.040880      7.796256
  C      -9.966630      3.927775      6.917810
  H      -3.746315      0.882567      2.027052
  H      -5.185524      1.731448      2.611304
  H      -5.207491      0.095058      4.602022
  H      -4.012804     -0.871182      3.716047
  H      -6.270639     -1.745122      3.247373
  H      -6.871055     -0.116632      2.859828
  H      -6.358199      0.547377     -1.482079
  H      -3.547916     -3.030313     -2.157424
  H      -2.540612     -4.767516     -0.669772
  H      -3.011181     -4.746390      1.775589
  H      -4.466280     -3.002535      2.754553
  H      -5.491953      5.841220      6.376846
  H      -4.098147      6.217211      7.400554
  H      -3.609807      8.247046      6.118244
  H      -5.311219      8.232478      6.609212
  H      -4.946467      9.026724      4.246186
  H      -4.202229      7.478560      3.848899
  H      -9.222605      6.868430      5.497015
  H      -9.275632      5.630860      1.080037
  H      -7.617951      5.720096     -0.787132
  H      -5.345907      6.667284     -0.394539
  H      -4.702113      7.487898      1.840952
  H      -5.965787      1.290402      7.401211
  H      -6.667638      2.195180      6.055610
  H      -6.246185      3.266971      8.903276
  H      -6.896804      4.208826      7.551262
  H      -8.134080      1.561559      8.525087
  H      -8.629910      3.141904      9.163595
  H     -10.000869      1.041168      4.470644
  H     -12.278943      5.020769      4.623320
  H     -12.338530      6.949543      6.213612
  H     -10.869812      6.953349      8.226508
  H      -9.356439      5.060016      8.675744
  N      -3.556039      4.613844      2.729726
  H      -2.958113      5.441089      2.795207
  H      -4.408605      4.908551      2.244323
  H      -3.089365      3.928017      2.132580
  N      -5.994429      3.680069      4.129936
  N      -7.074586      3.670229      3.722351
101
Coordinates from ORCA-job orca E -6314.514260256849
  N      -3.511313      1.973967      3.796145
  Mo     -4.199599      3.568287      4.826501
  N      -4.750729      2.799885      6.567568
  C      -3.722965      2.620180      7.590215
  C      -2.412092      2.253108      6.907614
  N      -2.167270      3.195226      5.779721
  C      -1.345896      2.582565      4.709190
  C      -2.157842      1.502148      3.999386
  C      -1.602283      4.481509      6.277505
  C      -2.236767      5.642738      5.507457
  N      -3.673397      5.448226      5.446929
  H      -1.662206      1.260393      3.035299
  H      -2.123902      0.559624      4.589404
  H      -1.099983      3.388005      4.001748
  H      -0.399438      2.174907      5.113157
  H      -1.962176      6.596402      5.993861
  H      -1.798247      5.681485      4.491430
  H      -1.875783      4.575149      7.337623
  H      -0.499006      4.467621      6.213190
  H      -3.994425      1.810870      8.293735
  H      -3.590895      3.533951      8.203644
  H      -2.503149      1.242647      6.489350
  H      -1.557553      2.263977      7.608506
  C      -4.325820      1.150427      2.923003
  C      -4.857226     -0.136106      3.577192
  C      -6.008364     -0.773616      2.769722
  C      -5.680365     -0.976009      1.317120
  N      -6.203291     -0.109675      0.453552
  C      -5.867905     -0.249441     -0.855974
  N      -5.072134     -1.150627     -1.398184
  C      -4.538307     -2.068417     -0.534797
  C      -3.688207     -3.081259     -1.043261
  C      -3.145386     -4.021645     -0.192148
  C      -3.430099     -3.989766      1.193239
  C      -4.252864     -3.011721      1.714802
  C      -4.821887     -2.028833      0.866485
  C      -4.467075      6.253020      6.358320
  C      -4.565527      7.739961      5.965810
  C      -4.960142      7.956058      4.504497
  C      -6.321876      7.431522      4.124663
  N      -7.244305      7.360570      5.076616
  C      -8.479983      6.913917      4.724615
  N      -8.884885      6.508161      3.539012
  C      -7.948271      6.547065      2.545087
  C      -8.299794      6.087477      1.251848
  C      -7.382982      6.139819      0.223556
  C      -6.085532      6.659125      0.444646
  C      -5.713560      7.101711      1.698536
  C      -6.627244      7.041534      2.781874
  C      -6.061319      2.303343      6.946728
  C      -6.815891      3.184539      7.951528
  C      -8.220423      2.626085      8.270155
  C      -9.164793      2.761432      7.108121
  N      -9.205724      1.755916      6.239475
  C     -10.018925      1.894106      5.158261
  N     -10.816483      2.902376      4.870051
  C     -10.811071      3.940096      5.759372
  C     -11.663496      5.047779      5.527444
  C     -11.685595      6.102535      6.415291
  C     -10.849685      6.099258      7.557569
  C     -10.003075      5.036923      7.802013
  C      -9.970165      3.928983      6.917009
  H      -3.752383      0.879672      2.009921
  H      -5.188587      1.741530      2.581034
  H      -5.242450      0.117954      4.577127
  H      -4.037387     -0.858328      3.716804
  H      -6.291734     -1.732195      3.231312
  H      -6.881909     -0.107807      2.812813
  H      -6.316856      0.485941     -1.532227
  H      -3.487351     -3.091563     -2.115531
  H      -2.493438     -4.802223     -0.588371
  H      -2.997113     -4.746080      1.849901
  H      -4.471705     -2.993833      2.782814
  H      -5.483257      5.834709      6.380313
  H      -4.083293      6.198099      7.400026
  H      -3.596304      8.237826      6.132670
  H      -5.295279      8.223657      6.631975
  H      -4.941883      9.036615      4.273951
  H      -4.202273      7.490537      3.860010
  H      -9.215876      6.885800      5.533175
  H      -9.303430      5.686071      1.106971
  H      -7.656255      5.779203     -0.769430
  H      -5.375262      6.707447     -0.382584
  H      -4.713146      7.506417      1.855200
  H      -5.967802      1.286230      7.384077
  H      -6.670448      2.193979      6.041479
  H      -6.245208      3.258672      8.891372
  H      -6.897189      4.204740      7.543034
  H      -8.135063      1.555327      8.509489
  H      -8.628435      3.133755      9.154950
  H     -10.005923      1.057080      4.452735
  H     -12.286054      5.034555      4.632308
  H     -12.343166      6.954403      6.233315
  H     -10.871662      6.947030      8.244116
  H      -9.357307      5.050762      8.680364
  N      -3.562625      4.620840      2.718004
  H      -2.965216      5.448327      2.784778
  H      -4.416599      4.916725      2.235850
  H      -3.096952      3.937245      2.117516
  N      -5.997875      3.685217      4.118388
  N      -7.077881      3.679694      3.710080
101
Coordinates from ORCA-job orca E -6314.514360527383
  N      -3.520924      1.975146      3.770907
  Mo     -4.203892      3.568463      4.806852
  N      -4.752803      2.797071      6.547235
  C      -3.723632      2.612174      7.567567
  C      -2.415024      2.242907      6.881910
  N      -2.169647      3.187456      5.756236
  C      -1.352064      2.575040      4.682688
  C      -2.168429      1.499066      3.971340
  C      -1.599850      4.470650      6.256088
  C      -2.233540      5.635155      5.490310
  N      -3.670960      5.444955      5.434380
  H      -1.674280      1.258336      3.006186
  H      -2.136531      0.554675      4.558519
  H      -1.104451      3.381243      3.976683
  H      -0.406208      2.163226      5.084057
  H      -1.954205      6.587283      5.977022
  H      -1.799482      5.673811      4.472529
  H      -1.870343      4.562284      7.317194
  H      -0.496770      4.454087      6.189108
  H      -3.996338      1.802592      8.270180
  H      -3.587523      3.524523      8.182184
  H      -2.509289      1.233854      6.460963
  H      -1.559334      2.249755      7.581475
  C      -4.339278      1.151331      2.901462
  C      -4.877200     -0.127661      3.563594
  C      -6.021126     -0.775133      2.753594
  C      -5.678003     -1.000237      1.308012
  N      -6.197683     -0.151664      0.424912
  C      -5.847301     -0.309771     -0.878685
  N      -5.037955     -1.212752     -1.397293
  C      -4.506174     -2.111817     -0.513468
  C      -3.640318     -3.123556     -0.996777
  C      -3.098157     -4.045503     -0.125140
  C      -3.400459     -3.996035      1.256093
  C      -4.239186     -3.018760      1.753124
  C      -4.806733     -2.053657      0.883671
  C      -4.457314      6.239272      6.361454
  C      -4.554193      7.731283      5.988352
  C      -4.955394      7.964854      4.531541
  C      -6.319987      7.447243      4.152737
  N      -7.238378      7.370386      5.108279
  C      -8.477259      6.931642      4.757706
  N      -8.889036      6.539065      3.570032
  C      -7.957017      6.584472      2.572233
  C      -8.317302      6.140904      1.275730
  C      -7.405196      6.199344      0.243606
  C      -6.103717      6.708628      0.464254
  C      -5.723517      7.136338      1.721061
  C      -6.632667      7.070310      2.807906
  C      -6.063365      2.300163      6.926594
  C      -6.815698      3.179284      7.934927
  C      -8.220619      2.622053      8.254627
  C      -9.167292      2.764241      7.095378
  N      -9.207008      1.765514      6.218835
  C     -10.020341      1.911032      5.138766
  N     -10.819113      2.920398      4.858155
  C     -10.815750      3.950754      5.755920
  C     -11.669683      5.058863      5.532423
  C     -11.694712      6.105923      6.429215
  C     -10.860519      6.094234      7.572669
  C     -10.011954      5.031557      7.808868
  C      -9.975582      3.931515      6.914158
  H      -3.766095      0.871888      1.990991
  H      -5.198291      1.745037      2.554038
  H      -5.270611      0.135146      4.558057
  H      -4.059056     -0.848970      3.716678
  H      -6.309653     -1.726208      3.227489
  H      -6.894787     -0.108651      2.778415
  H      -6.294741      0.410458     -1.572022
  H      -3.426796     -3.147627     -2.066374
  H      -2.433810     -4.825396     -0.501697
  H      -2.968402     -4.738312      1.929128
  H      -4.471641     -2.988471      2.818014
  H      -5.474378      5.823132      6.383708
  H      -4.067944      6.169474      7.400162
  H      -3.583032      8.224923      6.156388
  H      -5.279476      8.208656      6.663844
  H      -4.936407      9.047828      4.312620
  H      -4.201280      7.505056      3.878562
  H      -9.209340      6.897439      5.569523
  H      -9.324288      5.747570      1.131850
  H      -7.685023      5.851377     -0.752170
  H      -5.397151      6.762066     -0.365913
  H      -4.720078      7.533595      1.877480
  H      -5.970029      1.281894      7.361316
  H      -6.673861      2.193026      6.021909
  H      -6.243184      3.250233      8.873962
  H      -6.896994      4.200823      7.529570
  H      -8.136652      1.550121      8.489274
  H      -8.625226      3.126996      9.142447
  H     -10.005663      1.079859      4.426291
  H     -12.291486      5.051985      4.636703
  H     -12.353912      6.957889      6.253935
  H     -10.885152      6.935707      8.266903
  H      -9.367501      5.038785      8.688203
  N      -3.573217      4.629574      2.702152
  H      -2.975452      5.456748      2.769727
  H      -4.428459      4.927295      2.223559
  H      -3.109723      3.947706      2.097968
  N      -6.001939      3.692395      4.100308
  N      -7.080733      3.694663      3.688616
101
Coordinates from ORCA-job orca E -6314.514446971347
  N      -3.526308      1.976779      3.746359
  Mo     -4.207190      3.566674      4.788510
  N      -4.755705      2.790848      6.527191
  C      -3.726340      2.602798      7.546688
  C      -2.418629      2.232758      6.859778
  N      -2.172129      3.179743      5.736389
  C      -1.356123      2.568433      4.660993
  C      -2.175253      1.496353      3.947034
  C      -1.599894      4.460545      6.239344
  C      -2.233002      5.627907      5.477520
  N      -3.670899      5.440247      5.423695
  H      -1.681009      1.255853      2.981971
  H      -2.146720      0.550822      4.532508
  H      -1.106520      3.375630      3.956848
  H      -0.411244      2.153193      5.061224
  H      -1.950989      6.578447      5.965832
  H      -1.801328      5.668060      4.458892
  H      -1.869104      4.549472      7.301017
  H      -0.496915      4.442726      6.171151
  H      -4.000130      1.792716      8.248275
  H      -3.588573      3.514253      8.162291
  H      -2.514693      1.224897      6.436411
  H      -1.562640      2.236526      7.558994
  C      -4.346440      1.155334      2.876029
  C      -4.896725     -0.115185      3.543343
  C      -6.032501     -0.768393      2.726214
  C      -5.669058     -1.017044      1.289653
  N      -6.179969     -0.185864      0.385111
  C      -5.811828     -0.365147     -0.910807
  N      -4.990748     -1.272419     -1.402592
  C      -4.467212     -2.153818     -0.496365
  C      -3.589477     -3.168710     -0.950746
  C      -3.056187     -4.074234     -0.056611
  C      -3.380415     -4.005054      1.318802
  C      -4.230989     -3.024135      1.787809
  C      -4.788674     -2.074606      0.895092
  C      -4.453189      6.226314      6.361462
  C      -4.547545      7.722553      6.004999
  C      -4.954895      7.971900      4.552532
  C      -6.322610      7.461177      4.176144
  N      -7.236405      7.379992      5.135759
  C      -8.477865      6.945824      4.788725
  N      -8.896595      6.562807      3.600391
  C      -7.969884      6.613866      2.598020
  C      -8.338684      6.182032      1.299992
  C      -7.431705      6.244872      0.263617
  C      -6.127206      6.747514      0.481391
  C      -5.739103      7.164840      1.739368
  C      -6.642810      7.093863      2.830414
  C      -6.066686      2.294992      6.906698
  C      -6.814553      3.170970      7.921091
  C      -8.220260      2.615994      8.241257
  C      -9.169662      2.768787      7.085739
  N      -9.211680      1.777553      6.200813
  C     -10.026070      1.933173      5.122992
  N     -10.823700      2.945918      4.851696
  C     -10.818717      3.968204      5.758602
  C     -11.672178      5.078725      5.545704
  C     -11.696647      6.117315      6.452301
  C     -10.862448      6.094386      7.595553
  C     -10.013954      5.029460      7.821482
  C      -9.977781      3.938083      6.916183
  H      -3.770341      0.866194      1.970574
  H      -5.198809      1.753846      2.520162
  H      -5.300829      0.157858      4.530726
  H      -4.082970     -0.837661      3.712806
  H      -6.332057     -1.710800      3.210824
  H      -6.903249     -0.097822      2.728451
  H      -6.253424      0.340284     -1.622805
  H      -3.360124     -3.208425     -2.016580
  H      -2.382344     -4.856555     -0.410584
  H      -2.955977     -4.735066      2.009851
  H      -4.480864     -2.979816      2.848254
  H      -5.471126      5.812220      6.381386
  H      -4.061632      6.143912      7.398475
  H      -3.574383      8.211887      6.173843
  H      -5.268529      8.194731      6.688661
  H      -4.934451      9.056884      4.343967
  H      -4.205135      7.516393      3.891620
  H      -9.205970      6.907909      5.603887
  H      -9.348335      5.794783      1.158406
  H      -7.717933      5.905865     -0.733482
  H      -5.424879      6.804660     -0.352095
  H      -4.733466      7.557403      1.893598
  H      -5.974475      1.274556      7.336642
  H      -6.679488      2.193155      6.002923
  H      -6.239773      3.235326      8.859215
  H      -6.894062      4.194929      7.521582
  H      -8.138900      1.542250      8.468519
  H      -8.620653      3.116327      9.133560
  H     -10.013352      1.107931      4.403571
  H     -12.294418      5.080564      4.650257
  H     -12.355833      6.971011      6.285455
  H     -10.887144      6.928977      8.298072
  H      -9.369619      5.027699      8.700937
  N      -3.579291      4.638927      2.689240
  H      -2.980345      5.464871      2.761321
  H      -4.435345      4.941241      2.214950
  H      -3.118231      3.960863      2.078871
  N      -6.004525      3.695454      4.081946
  N      -7.082490      3.703239      3.667971
101
Coordinates from ORCA-job orca E -6314.514524646746
  N      -3.535199      1.977295      3.716355
  Mo     -4.212538      3.564720      4.764489
  N      -4.759709      2.784915      6.501886
  C      -3.729435      2.593143      7.519659
  C      -2.423511      2.221270      6.830318
  N      -2.175905      3.170925      5.709448
  C      -1.362701      2.560780      4.631404
  C      -2.185208      1.492984      3.915246
  C      -1.600117      4.448821      6.215327
  C      -2.233298      5.619426      5.458657
  N      -3.671759      5.434876      5.408516
  H      -1.691994      1.253259      2.949535
  H      -2.159137      0.545996      4.498442
  H      -1.111523      3.369273      3.929322
  H      -0.418547      2.141769      5.029356
  H      -1.947698      6.568218      5.948321
  H      -1.805344      5.660994      4.438635
  H      -1.866490      4.534890      7.277969
  H      -0.497346      4.429398      6.144454
  H      -4.004162      1.783050      8.220858
  H      -3.588644      3.503831      8.135655
  H      -2.522673      1.214870      6.404163
  H      -1.566718      2.220968      7.528538
  C      -4.359451      1.154652      2.850655
  C      -4.917102     -0.107448      3.527009
  C      -6.045206     -0.770140      2.706785
  C      -5.664493     -1.042142      1.279033
  N      -6.171292     -0.231452      0.353834
  C      -5.785026     -0.429619     -0.934018
  N      -4.947577     -1.335915     -1.399210
  C      -4.427444     -2.196548     -0.471258
  C      -3.532127     -3.208652     -0.896727
  C      -3.002340     -4.094188      0.019204
  C      -3.348276     -4.007446      1.388281
  C      -4.215777     -3.028399      1.829411
  C      -4.769611     -2.098276      0.914049
  C      -4.447555      6.208755      6.361937
  C      -4.539506      7.710155      6.028097
  C      -4.953432      7.979546      4.581157
  C      -6.323363      7.474421      4.205329
  N      -7.233605      7.385305      5.167711
  C      -8.476946      6.955965      4.821460
  N      -8.900849      6.585327      3.630962
  C      -7.978168      6.645588      2.625398
  C      -8.353128      6.228274      1.324383
  C      -7.449975      6.299644      0.285286
  C      -6.143333      6.796692      0.503300
  C      -5.749546      7.200641      1.763794
  C      -6.649272      7.120689      2.857461
  C      -6.071025      2.290305      6.881840
  C      -6.814445      3.163233      7.902108
  C      -8.221074      2.610803      8.222983
  C      -9.173626      2.775988      7.071800
  N      -9.216544      1.794876      6.175629
  C     -10.032494      1.962267      5.100843
  N     -10.830556      2.977884      4.841854
  C     -10.825147      3.989508      5.760603
  C     -11.679127      5.102127      5.561132
  C     -11.703192      6.130343      6.479431
  C     -10.868529      6.094362      7.621976
  C     -10.019612      5.027147      7.835249
  C      -9.983118      3.946468      6.917140
  H      -3.783637      0.855430      1.948413
  H      -5.207755      1.755687      2.489005
  H      -5.329159      0.175944      4.508102
  H      -4.105671     -0.828948      3.710892
  H      -6.351901     -1.704296      3.202912
  H      -6.914749     -0.098350      2.688111
  H      -6.224912      0.258042     -1.664183
  H      -3.287095     -3.262444     -1.958446
  H      -2.314868     -4.874454     -0.312331
  H      -2.927249     -4.722438      2.096844
  H      -4.482718     -2.971775      2.885109
  H      -5.466480      5.797094      6.379613
  H      -4.052264      6.109044      7.396028
  H      -3.564400      8.194857      6.198984
  H      -5.255998      8.174353      6.721826
  H      -4.932835      9.067058      4.386335
  H      -4.207426      7.531444      3.910963
  H      -9.201635      6.909933      5.639272
  H      -9.364487      5.845311      1.183196
  H      -7.740570      5.971598     -0.714174
  H      -5.443989      6.860325     -0.332191
  H      -4.742419      7.589284      1.918243
  H      -5.980270      1.267685      7.306989
  H      -6.685961      2.193957      5.978962
  H      -6.237354      3.221192      8.839192
  H      -6.892073      4.189442      7.508133
  H      -8.142748      1.535072      8.441772
  H      -8.616239      3.105758      9.120548
  H     -10.020398      1.145306      4.372080
  H     -12.302013      5.114139      4.666212
  H     -12.362590      6.985738      6.322846
  H     -10.893186      6.920586      8.334336
  H      -9.375029      5.015317      8.714419
  N      -3.590801      4.647506      2.670956
  H      -2.990460      5.472133      2.746219
  H      -4.447963      4.954108      2.201281
  H      -3.132754      3.972594      2.054806
  N      -6.008996      3.699163      4.057837
  N      -7.085571      3.714720      3.640174
101
Coordinates from ORCA-job orca E -6314.514595542649
  N      -3.539011      1.981114      3.686061
  Mo     -4.215837      3.563570      4.741419
  N      -4.763093      2.777816      6.476152
  C      -3.732661      2.583356      7.493252
  C      -2.427413      2.211515      6.802679
  N      -2.178435      3.164508      5.684968
  C      -1.366098      2.556970      4.604935
  C      -2.190269      1.493147      3.885159
  C      -1.601127      4.439922      6.195126
  C      -2.234547      5.613571      5.443552
  N      -3.673407      5.430739      5.395196
  H      -1.696873      1.254312      2.919453
  H      -2.167359      0.544910      4.466465
  H      -1.113340      3.367474      3.905745
  H      -0.422770      2.134803      5.001514
  H      -1.946974      6.560518      5.935679
  H      -1.808767      5.657976      4.422838
  H      -1.866167      4.522306      7.258413
  H      -0.498463      4.420085      6.122931
  H      -4.007876      1.772470      8.193353
  H      -3.590935      3.493224      8.110178
  H      -2.528589      1.206697      6.373277
  H      -1.570458      2.207471      7.500675
  C      -4.365727      1.158299      2.822452
  C      -4.934872     -0.094240      3.506891
  C      -6.053437     -0.765183      2.680415
  C      -5.652198     -1.061366      1.263029
  N      -6.147805     -0.268998      0.316169
  C      -5.741897     -0.488955     -0.962107
  N      -4.893742     -1.399508     -1.398556
  C      -4.385222     -2.242290     -0.447986
  C      -3.480224     -3.258506     -0.841993
  C      -2.963347     -4.127548      0.096803
  C      -3.332621     -4.019906      1.458212
  C      -4.209565     -3.036065      1.869010
  C      -4.749856     -2.121792      0.929811
  C      -4.444598      6.193182      6.361765
  C      -4.535022      7.698938      6.048433
  C      -4.955683      7.987150      4.606995
  C      -6.327272      7.485592      4.232210
  N      -7.233317      7.387440      5.197704
  C      -8.477743      6.959912      4.853284
  N      -8.906648      6.599958      3.661271
  C      -7.988689      6.670588      2.652088
  C      -8.369689      6.266026      1.348837
  C      -7.471150      6.346970      0.306477
  C      -6.163383      6.841575      0.523444
  C      -5.763950      7.233805      1.785824
  C      -6.658763      7.143681      2.882688
  C      -6.074866      2.284230      6.855769
  C      -6.814086      3.153089      7.882591
  C      -8.221515      2.602472      8.203156
  C      -9.177619      2.782811      7.057215
  N      -9.222983      1.813656      6.148274
  C     -10.041057      1.995544      5.077497
  N     -10.838802      3.015044      4.833348
  C     -10.831351      4.014189      5.765610
  C     -11.684975      5.129837      5.582213
  C     -11.707208      6.145793      6.514073
  C     -10.871223      6.093941      7.655049
  C     -10.022667      5.023485      7.852997
  C      -9.987504      3.955289      6.920248
  H      -3.787757      0.847929      1.925582
  H      -5.208153      1.762736      2.452646
  H      -5.357852      0.202413      4.479322
  H      -4.127272     -0.814868      3.709637
  H      -6.371043     -1.690421      3.186357
  H      -6.919889     -0.090590      2.637581
  H      -6.173766      0.183289     -1.711143
  H      -3.217893     -3.328941     -1.898604
  H      -2.268361     -4.911064     -0.210509
  H      -2.922443     -4.722630      2.185170
  H      -4.494928     -2.963947      2.918896
  H      -5.464236      5.783222      6.376607
  H      -4.046736      6.078060      7.393288
  H      -3.558399      8.179886      6.221114
  H      -5.247554      8.155129      6.751471
  H      -4.936291      9.077003      4.425896
  H      -4.213131      7.547306      3.927544
  H      -9.198722      6.905667      5.673871
  H      -9.381933      5.885028      1.208672
  H      -7.766242      6.028422     -0.694742
  H      -5.467793      6.912832     -0.314572
  H      -4.756231      7.621297      1.939282
  H      -5.985520      1.259026      7.275112
  H      -6.691796      2.194461      5.953574
  H      -6.235110      3.203570      8.818937
  H      -6.889510      4.181922      7.495120
  H      -8.146115      1.524309      8.410816
  H      -8.611433      3.089534      9.107245
  H     -10.031081      1.188114      4.338178
  H     -12.309110      5.154186      4.688421
  H     -12.366317      7.003567      6.369892
  H     -10.894721      6.910424      8.378593
  H      -9.377238      4.999454      8.731270
  N      -3.598088      4.660193      2.655126
  H      -2.995944      5.482913      2.736701
  H      -4.456278      4.973262      2.191623
  H      -3.143472      3.990630      2.030622
  N      -6.011177      3.701453      4.033400
  N      -7.086885      3.722135      3.613524
101
Coordinates from ORCA-job orca E -6314.514668516615
  N      -3.537693      1.989898      3.652820
  Mo     -4.216498      3.565165      4.716805
  N      -4.764604      2.771080      6.447467
  C      -3.734729      2.574432      7.464756
  C      -2.429245      2.204547      6.773800
  N      -2.178896      3.161940      5.660225
  C      -1.366019      2.558425      4.578466
  C      -2.190388      1.498561      3.853580
  C      -1.601511      4.435025      6.176012
  C      -2.236028      5.611817      5.430363
  N      -3.675090      5.429308      5.382791
  H      -1.695584      1.261390      2.888298
  H      -2.170898      0.548696      4.432400
  H      -1.111832      3.371771      3.883104
  H      -0.423489      2.133595      4.974029
  H      -1.947744      6.556752      5.925989
  H      -1.811768      5.660408      4.409283
  H      -1.865631      4.512594      7.239908
  H      -0.498920      4.415884      6.102905
  H      -4.010008      1.761979      8.163038
  H      -3.593564      3.483210      8.083320
  H      -2.531105      1.201554      6.340286
  H      -1.572752      2.197040      7.472305
  C      -4.365886      1.167092      2.790276
  C      -4.951320     -0.073738      3.482349
  C      -6.059505     -0.750896      2.647343
  C      -5.634544     -1.074829      1.242825
  N      -6.107747     -0.297425      0.272408
  C      -5.678825     -0.543185     -0.993616
  N      -4.827120     -1.465564     -1.397106
  C      -4.341991     -2.293917     -0.421909
  C      -3.435629     -3.322226     -0.779758
  C      -2.943147     -4.177762      0.184127
  C      -3.338960     -4.044122      1.535679
  C      -4.217392     -3.047748      1.911570
  C      -4.732850     -2.146620      0.946034
  C      -4.442956      6.178653      6.362454
  C      -4.534628      7.688248      6.069506
  C      -4.962796      7.994632      4.633917
  C      -6.334793      7.493549      4.259517
  N      -7.236910      7.383543      5.227462
  C      -8.481335      6.955613      4.883744
  N      -8.913774      6.606101      3.689838
  C      -8.000000      6.689420      2.677830
  C      -8.384964      6.296629      1.372137
  C      -7.490555      6.389925      0.327324
  C      -6.183227      6.885876      0.544194
  C      -5.780021      7.267045      1.808682
  C      -6.670420      7.163821      2.908018
  C      -6.076604      2.277255      6.825707
  C      -6.812787      3.139737      7.860102
  C      -8.220619      2.588880      8.178523
  C      -9.180401      2.788084      7.038837
  N      -9.227467      1.835044      6.113108
  C     -10.048802      2.034782      5.048087
  N     -10.848183      3.057620      4.824011
  C     -10.838768      4.040408      5.773455
  C     -11.693059      5.158881      5.611331
  C     -11.712424      6.159271      6.559909
  C     -10.873358      6.088294      7.697615
  C     -10.024732      5.014382      7.875521
  C      -9.991757      3.962004      6.924716
  H      -3.783752      0.843791      1.900974
  H      -5.200407      1.775724      2.409358
  H      -5.387233      0.238409      4.444083
  H      -4.149918     -0.794730      3.707169
  H      -6.393184     -1.665225      3.162554
  H      -6.920067     -0.071067      2.576593
  H      -6.092876      0.117081     -1.763075
  H      -3.152848     -3.412881     -1.829535
  H      -2.247194     -4.970709     -0.095531
  H      -2.948329     -4.736678      2.282885
  H      -4.523412     -2.955728      2.954033
  H      -5.462605      5.768679      6.374534
  H      -4.042487      6.048717      7.391188
  H      -3.557340      8.167281      6.243642
  H      -5.243863      8.135028      6.781871
  H      -4.947090      9.086791      4.467309
  H      -4.222718      7.565400      3.945008
  H      -9.199037      6.891368      5.706496
  H      -9.396706      5.914159      1.232279
  H      -7.788639      6.080290     -0.675768
  H      -5.491010      6.967021     -0.295719
  H      -4.772891      7.656159      1.961877
  H      -5.988357      1.248948      7.237806
  H      -6.695038      2.195217      5.923826
  H      -6.232399      3.181880      8.795971
  H      -6.886754      4.171647      7.480660
  H      -8.147434      1.507738      8.371088
  H      -8.605464      3.064310      9.090853
  H     -10.040236      1.240343      4.294859
  H     -12.319643      5.198132      4.719786
  H     -12.371714      7.019432      6.431855
  H     -10.894718      6.892523      8.434801
  H      -9.377237      4.975730      8.751730
  N      -3.603041      4.678643      2.639783
  H      -2.998858      5.499005      2.729795
  H      -4.462448      4.999738      2.184040
  H      -3.152253      4.016284      2.004922
  N      -6.010459      3.704501      4.006117
  N      -7.085259      3.728749      3.583911
101
Coordinates from ORCA-job orca E -6314.514668609301
  N      -3.450745      2.076905      3.621281
  Mo     -4.168307      3.617095      4.706934
  N      -4.726197      2.782220      6.414948
  C      -3.707480      2.585481      7.444356
  C      -2.385709      2.251909      6.767100
  N      -2.138116      3.229635      5.670479
  C      -1.301673      2.648727      4.592579
  C      -2.105445      1.589219      3.843056
  C      -1.585924      4.504261      6.211343
  C      -2.230247      5.683623      5.477079
  N      -3.665327      5.479038      5.409031
  H      -1.590389      1.365341      2.885275
  H      -2.090670      0.632990      4.411696
  H      -1.045525      3.471786      3.909386
  H      -0.360670      2.229443      4.998152
  H      -1.962450      6.624763      5.991260
  H      -1.794868      5.755408      4.462236
  H      -1.862576      4.561045      7.273412
  H      -0.482398      4.502888      6.150449
  H      -3.978554      1.755321      8.123017
  H      -3.592129      3.484374      8.082269
  H      -2.461075      1.253711      6.317532
  H      -1.539035      2.250332      7.477617
  C      -4.262859      1.273919      2.725741
  C      -4.938826      0.073927      3.405278
  C      -6.049845     -0.550328      2.534448
  C      -5.578518     -0.960289      1.169550
  N      -5.884978     -0.155521      0.154892
  C      -5.417996     -0.491895     -1.076196
  N      -4.684041     -1.537116     -1.406885
  C      -4.370477     -2.390987     -0.385122
  C      -3.598587     -3.546053     -0.663884
  C      -3.278980     -4.426123      0.350316
  C      -3.717994     -4.190234      1.674900
  C      -4.469296     -3.071197      1.973102
  C      -4.808458     -2.146636      0.954212
  C      -4.461587      6.207669      6.380870
  C      -4.596627      7.713719      6.084169
  C      -5.025831      8.006783      4.646396
  C      -6.380689      7.469581      4.262439
  N      -7.284444      7.332762      5.225393
  C      -8.513983      6.868712      4.874322
  N      -8.926301      6.498653      3.679737
  C      -8.010373      6.610140      2.672752
  C      -8.373374      6.199180      1.365880
  C      -7.479476      6.327066      0.324068
  C      -6.193539      6.873155      0.545221
  C      -5.809117      7.267063      1.812648
  C      -6.699852      7.131886      2.908582
  C      -6.032313      2.254021      6.767598
  C      -6.787032      3.067055      7.828363
  C      -8.186269      2.480051      8.120118
  C      -9.150393      2.714458      6.991367
  N      -9.201862      1.792318      6.035110
  C     -10.033783      2.024045      4.984524
  N     -10.841770      3.048513      4.803414
  C     -10.827122      3.999791      5.784218
  C     -11.688522      5.118624      5.668579
  C     -11.700784      6.087565      6.649631
  C     -10.846663      5.985154      7.773587
  C      -9.991108      4.910442      7.906112
  C      -9.966818      3.888628      6.922415
  H      -3.651784      0.917147      1.870251
  H      -5.052487      1.909661      2.295197
  H      -5.400556      0.424863      4.341276
  H      -4.188506     -0.685630      3.677756
  H      -6.478074     -1.416258      3.063173
  H      -6.851121      0.189129      2.399331
  H      -5.691543      0.197281     -1.882634
  H      -3.277053     -3.711885     -1.693105
  H      -2.685410     -5.315748      0.131663
  H      -3.460376     -4.900497      2.462163
  H      -4.808244     -2.897136      2.995007
  H      -5.468783      5.767525      6.389406
  H      -4.062403      6.094863      7.412153
  H      -3.634285      8.221215      6.261013
  H      -5.321484      8.141453      6.792601
  H      -5.040743      9.099507      4.481151
  H      -4.268869      7.601201      3.962098
  H      -9.234102      6.783358      5.693065
  H      -9.367744      5.775679      1.220995
  H      -7.761591      6.005018     -0.680296
  H      -5.502883      6.983225     -0.292864
  H      -4.816986      7.691363      1.970312
  H      -5.928130      1.214446      7.146939
  H      -6.646371      2.190628      5.860703
  H      -6.210530      3.085968      8.767545
  H      -6.878451      4.111053      7.487043
  H      -8.096527      1.392749      8.265824
  H      -8.579745      2.909343      9.051483
  H     -10.027723      1.255522      4.204452
  H     -12.326048      5.182840      4.786286
  H     -12.367304      6.946960      6.557871
  H     -10.862507      6.765412      8.536326
  H      -9.332608      4.845909      8.772599
  N      -3.546432      4.779150      2.652835
  H      -2.957161      5.607082      2.767765
  H      -4.409093      5.096374      2.201682
  H      -3.080834      4.141788      2.003146
  N      -5.957952      3.727748      3.979232
  N      -7.030726      3.721202      3.551955
101
Coordinates from ORCA-job orca E -6314.514765823658
  N      -3.447841      2.085828      3.586738
  Mo     -4.167755      3.619063      4.679883
  N      -4.727909      2.775993      6.382965
  C      -3.710417      2.575649      7.413033
  C      -2.388192      2.243783      6.736010
  N      -2.138051      3.226596      5.644614
  C      -1.300300      2.650224      4.565414
  C      -2.103686      1.595290      3.809484
  C      -1.585930      4.498350      6.192133
  C      -2.230547      5.681122      5.463611
  N      -3.665831      5.477371      5.395272
  H      -1.586954      1.374576      2.851969
  H      -2.091846      0.636703      4.374200
  H      -1.042012      3.476402      3.886809
  H      -0.360440      2.227936      4.970448
  H      -1.962029      6.620022      5.981584
  H      -1.796241      5.757050      4.448732
  H      -1.862401      4.549971      7.254535
  H      -0.482428      4.497446      6.131240
  H      -3.982364      1.743619      8.089057
  H      -3.595574      3.472873      8.053270
  H      -2.464674      1.247981      6.281320
  H      -1.542397      2.237477      7.447514
  C      -4.262181      1.281205      2.694322
  C      -4.951265      0.093283      3.381861
  C      -6.052094     -0.539705      2.504688
  C      -5.561206     -0.977073      1.155125
  N      -5.848207     -0.191350      0.120084
  C      -5.361657     -0.553156     -1.096195
  N      -4.624813     -1.606235     -1.394014
  C      -4.331860     -2.441456     -0.350914
  C      -3.559269     -3.604139     -0.593906
  C      -3.261503     -4.466276      0.442051
  C      -3.723872     -4.204351      1.753694
  C      -4.475907     -3.077146      2.017278
  C      -4.792578     -2.170279      0.975517
  C      -4.458391      6.189914      6.382284
  C      -4.595992      7.700090      6.109468
  C      -5.032985      8.013383      4.678262
  C      -6.387428      7.475649      4.293327
  N      -7.286757      7.324113      5.258311
  C      -8.515686      6.858733      4.907046
  N      -8.931451      6.501129      3.709828
  C      -8.020200      6.628132      2.700451
  C      -8.387055      6.230900      1.390419
  C      -7.497803      6.373904      0.346653
  C      -6.212863      6.921991      0.568956
  C      -5.824702      7.302782      1.839182
  C      -6.710593      7.151949      2.937025
  C      -6.034586      2.247251      6.732539
  C      -6.787476      3.053086      7.800025
  C      -8.187741      2.466094      8.087007
  C      -9.154445      2.721513      6.965095
  N      -9.206589      1.818827      5.990479
  C     -10.041091      2.070355      4.946564
  N     -10.851119      3.096932      4.787834
  C     -10.835545      4.028436      5.787385
  C     -11.698072      5.148678      5.695557
  C     -11.708204      6.098790      6.694826
  C     -10.851402      5.975354      7.814632
  C      -9.995447      4.898451      7.924733
  C      -9.972642      3.895716      6.921381
  H      -3.649560      0.912333      1.845347
  H      -5.045024      1.919220      2.254636
  H      -5.423836      0.459810      4.306303
  H      -4.207127     -0.664469      3.675589
  H      -6.494175     -1.393847      3.041048
  H      -6.846473      0.201976      2.343282
  H      -5.619543      0.120770     -1.920462
  H      -3.219904     -3.790356     -1.613876
  H      -2.667464     -5.361853      0.250744
  H      -3.483932     -4.900945      2.558552
  H      -4.833149     -2.883293      3.029328
  H      -5.465301      5.749142      6.387562
  H      -4.055556      6.060179      7.410125
  H      -3.633484      8.206210      6.289220
  H      -5.317967      8.116193      6.827707
  H      -5.053147      9.108350      4.529604
  H      -4.277889      7.620836      3.984336
  H      -9.232136      6.761206      5.727683
  H      -9.380387      5.805190      1.244807
  H      -7.782843      6.062384     -0.660167
  H      -5.526035      7.044153     -0.270593
  H      -4.833494      7.728930      1.997643
  H      -5.931671      1.204759      7.104333
  H      -6.649290      2.191441      5.825563
  H      -6.210783      3.062811      8.739203
  H      -6.876900      4.100103      7.467620
  H      -8.100899      1.376373      8.215632
  H      -8.576902      2.881917      9.026175
  H     -10.035260      1.317824      4.151105
  H     -12.337745      5.229411      4.816176
  H     -12.375184      6.959518      6.621028
  H     -10.865674      6.740896      8.592158
  H      -9.335080      4.817560      8.788400
  N      -3.548776      4.797695      2.635948
  H      -2.958126      5.623550      2.758615
  H      -4.412526      5.121364      2.191425
  H      -3.085959      4.167262      1.977580
  N      -5.955141      3.731931      3.947593
  N      -7.026330      3.730185      3.516083
101
Coordinates from ORCA-job orca E -6314.514887128650
  N      -3.451812      2.087723      3.553617
  Mo     -4.172110      3.616298      4.652765
  N      -4.736482      2.767378      6.351443
  C      -3.720698      2.561824      7.382287
  C      -2.398490      2.229055      6.705804
  N      -2.143789      3.216259      5.619570
  C      -1.305178      2.643692      4.539255
  C      -2.108814      1.594042      3.776907
  C      -1.590058      4.484307      6.173709
  C      -2.232687      5.671042      5.450052
  N      -3.668428      5.470442      5.380642
  H      -1.590711      1.376187      2.819541
  H      -2.100228      0.633151      4.337719
  H      -1.044207      3.472872      3.865340
  H      -0.366749      2.217721      4.943692
  H      -1.962296      6.607508      5.971517
  H      -1.798601      5.749873      4.435402
  H      -1.866696      4.531532      7.236288
  H      -0.486561      4.482134      6.113195
  H      -3.995125      1.728569      8.055831
  H      -3.604829      3.457305      8.024687
  H      -2.477797      1.235689      6.246273
  H      -1.553760      2.216686      7.418468
  C      -4.268443      1.278499      2.667060
  C      -4.958616      0.096750      3.364352
  C      -6.050447     -0.551460      2.487215
  C      -5.546491     -1.007576      1.148574
  N      -5.833296     -0.243214      0.097763
  C      -5.333417     -0.621579     -1.108071
  N      -4.582111     -1.670960     -1.381427
  C      -4.289404     -2.485117     -0.321644
  C      -3.501892     -3.643057     -0.537818
  C      -3.204738     -4.484650      0.514990
  C      -3.683044     -4.206473      1.817468
  C      -4.449469     -3.083204      2.055157
  C      -4.765235     -2.196525      0.995745
  C      -4.456417      6.169959      6.380945
  C      -4.590871      7.684190      6.130587
  C      -5.033843      8.018076      4.705847
  C      -6.390735      7.486359      4.321011
  N      -7.286197      7.326727      5.288339
  C      -8.517238      6.866525      4.938004
  N      -8.938868      6.521876      3.739031
  C      -8.031812      6.657494      2.726994
  C      -8.405257      6.274287      1.414731
  C      -7.519982      6.425365      0.368767
  C      -6.232744      6.968235      0.591036
  C      -5.838443      7.335966      1.863091
  C      -6.720074      7.176295      2.963080
  C      -6.044953      2.241643      6.698761
  C      -6.793231      3.042277      7.773380
  C      -8.195672      2.458974      8.057539
  C      -9.165554      2.735415      6.943374
  N      -9.223197      1.849800      5.953542
  C     -10.061608      2.120574      4.917606
  N     -10.870632      3.151017      4.779956
  C     -10.848793      4.065532      5.794952
  C     -11.708548      5.189543      5.725248
  C     -11.710967      6.123751      6.739447
  C     -10.849503      5.979858      7.853217
  C      -9.996850      4.898409      7.942394
  C      -9.981422      3.911878      6.922881
  H      -3.656422      0.902452      1.820943
  H      -5.050537      1.914514      2.223096
  H      -5.438010      0.473188      4.281185
  H      -4.213705     -0.654596      3.672103
  H      -6.495330     -1.399046      3.031578
  H      -6.844961      0.185834      2.307379
  H      -5.592142      0.034474     -1.946289
  H      -3.150901     -3.842390     -1.551360
  H      -2.599224     -5.376677      0.344224
  H      -3.444326     -4.887394      2.635988
  H      -4.819259     -2.877435      3.060298
  H      -5.464468      5.731867      6.382135
  H      -4.051647      6.022832      7.405660
  H      -3.626329      8.185332      6.313242
  H      -5.308710      8.091917      6.857706
  H      -5.053552      9.114928      4.572231
  H      -4.282681      7.633767      4.003024
  H      -9.230391      6.762685      5.760741
  H      -9.400225      5.852321      1.269300
  H      -7.810012      6.124498     -0.639830
  H      -5.549112      7.096825     -0.250126
  H      -4.845738      7.758631      2.021463
  H      -5.945959      1.195974      7.062844
  H      -6.660834      2.195122      5.792076
  H      -6.215450      3.041648      8.711901
  H      -6.878411      4.092359      7.449744
  H      -8.114157      1.367127      8.170892
  H      -8.578844      2.863754      9.003894
  H     -10.060215      1.381890      4.109325
  H     -12.351915      5.286311      4.850189
  H     -12.375335      6.987766      6.682315
  H     -10.857636      6.733095      8.642729
  H      -9.332750      4.801644      8.801524
  N      -3.552826      4.808311      2.618688
  H      -2.958094      5.630276      2.747906
  H      -4.416260      5.140421      2.179635
  H      -3.094419      4.182199      1.953152
  N      -5.956599      3.734483      3.915038
  N      -7.025662      3.739864      3.478077
101
Coordinates from ORCA-job orca E -6314.514987372580
  N      -3.449300      2.095932      3.519464
  Mo     -4.173281      3.617480      4.625620
  N      -4.744012      2.759733      6.317644
  C      -3.731496      2.548024      7.350644
  C      -2.407736      2.217037      6.676546
  N      -2.147759      3.210377      5.597289
  C      -1.305847      2.643656      4.516612
  C      -2.107592      1.599654      3.745180
  C      -1.594422      4.474478      6.160587
  C      -2.234905      5.665567      5.442304
  N      -3.670743      5.466885      5.369105
  H      -1.586114      1.386094      2.788736
  H      -2.102679      0.635789      4.300889
  H      -1.041658      3.476786      3.848831
  H      -0.369231      2.214314      4.921623
  H      -1.964378      6.599152      5.968919
  H      -1.799311      5.749001      4.428754
  H      -1.872885      4.515650      7.222956
  H      -0.490835      4.472067      6.102145
  H      -4.008752      1.711956      8.019576
  H      -3.616692      3.440539      7.997259
  H      -2.487632      1.226664      6.210682
  H      -1.565343      2.198718      7.391814
  C      -4.266622      1.282332      2.637115
  C      -4.960274      0.107650      3.343113
  C      -6.044233     -0.553133      2.465790
  C      -5.527121     -1.031747      1.140080
  N      -5.804777     -0.286852      0.073079
  C      -5.291990     -0.685790     -1.120669
  N      -4.535073     -1.737590     -1.367671
  C      -4.251592     -2.532297     -0.290696
  C      -3.458828     -3.691677     -0.478055
  C      -3.171207     -4.514189      0.592275
  C      -3.664880     -4.215047      1.884286
  C      -4.436502     -3.089780      2.094076
  C      -4.742344     -2.221923      1.016221
  C      -4.457171      6.153345      6.379932
  C      -4.590502      7.670765      6.149521
  C      -5.038351      8.022500      4.730589
  C      -6.397107      7.495716      4.345561
  N      -7.289349      7.328958      5.314715
  C      -8.521958      6.872696      4.965100
  N      -8.948102      6.538268      3.764822
  C      -8.044545      6.681529      2.750693
  C      -8.423082      6.309625      1.436705
  C      -7.541200      6.468164      0.389015
  C      -6.252497      7.007707      0.611203
  C      -5.853403      7.364809      1.884696
  C      -6.731424      7.197096      2.986352
  C      -6.054261      2.235214      6.660045
  C      -6.798543      3.025769      7.744833
  C      -8.202569      2.443756      8.023945
  C      -9.176105      2.744189      6.919233
  N      -9.241720      1.877482      5.913308
  C     -10.085828      2.169505      4.887757
  N     -10.893516      3.204051      4.774627
  C     -10.862423      4.099961      5.805852
  C     -11.718652      5.228032      5.761906
  C     -11.709925      6.144845      6.791852
  C     -10.840952      5.978742      7.896660
  C      -9.992424      4.892326      7.961362
  C      -9.988162      3.923413      6.924976
  H      -3.653646      0.898607      1.795322
  H      -5.046576      1.916599      2.186864
  H      -5.446290      0.494312      4.252096
  H      -4.216265     -0.638689      3.664901
  H      -6.495789     -1.391455      3.018916
  H      -6.835739      0.182225      2.265849
  H      -5.543736     -0.045586     -1.973081
  H      -3.096243     -3.907555     -1.484103
  H      -2.561618     -5.407388      0.443617
  H      -3.434117     -4.881337      2.717006
  H      -4.818331     -2.868282      3.091323
  H      -5.465599      5.716180      6.376329
  H      -4.051732      5.991547      7.402149
  H      -3.624787      8.168507      6.335162
  H      -5.305488      8.070141      6.884031
  H      -5.058049      9.120855      4.610289
  H      -4.290245      7.645955      4.020304
  H      -9.232502      6.763802      5.789439
  H      -9.419011      5.889883      1.291370
  H      -7.835108      6.175927     -0.620969
  H      -5.571629      7.142252     -0.231239
  H      -4.859775      7.785301      2.043054
  H      -5.958914      1.185077      7.012334
  H      -6.671046      2.201368      5.753404
  H      -6.219693      3.011541      8.682545
  H      -6.880394      4.080044      7.434309
  H      -8.125439      1.349750      8.117994
  H      -8.580217      2.833482      8.978764
  H     -10.090983      1.446173      4.065789
  H     -12.367765      5.342296      4.893219
  H     -12.371093      7.012386      6.754179
  H     -10.840114      6.718672      8.698673
  H      -9.322319      4.778308      8.813664
  N      -3.550937      4.825599      2.603631
  H      -2.953061      5.643987      2.741104
  H      -4.413653      5.165651      2.169127
  H      -3.095299      4.204992      1.931074
  N      -5.953924      3.739248      3.879862
  N      -7.020227      3.749175      3.436064
101
Coordinates from ORCA-job orca E -6314.515084284913
  N      -3.449131      2.103588      3.487208
  Mo     -4.176035      3.618387      4.600586
  N      -4.753162      2.752142      6.286029
  C      -3.743734      2.533178      7.320746
  C      -2.418744      2.203648      6.648586
  N      -2.153386      3.203236      5.576576
  C      -1.308484      2.642535      4.495310
  C      -2.108575      1.604714      3.714484
  C      -1.599962      4.463015      6.149190
  C      -2.237575      5.658723      5.436203
  N      -3.673595      5.462779      5.359135
  H      -1.584062      1.396068      2.758660
  H      -2.107083      0.637540      4.264416
  H      -1.040997      3.479834      3.834060
  H      -0.373724      2.209483      4.900561
  H      -1.966471      6.589306      5.967877
  H      -1.800285      5.746438      4.423797
  H      -1.880396      4.498224      7.211267
  H      -0.496281      4.459831      6.092952
  H      -4.024023      1.694078      7.984668
  H      -3.629436      3.422243      7.972107
  H      -2.499635      1.216450      6.176180
  H      -1.578549      2.178898      7.366205
  C      -4.267195      1.285890      2.608801
  C      -4.961762      0.116010      3.322189
  C      -6.037238     -0.558245      2.444868
  C      -5.507245     -1.056689      1.131579
  N      -5.777108     -0.330243      0.050082
  C      -5.251911     -0.747189     -1.132075
  N      -4.488649     -1.799714     -1.354787
  C      -4.212908     -2.576005     -0.262401
  C      -3.413936     -3.735110     -0.423249
  C      -3.134117     -4.539490      0.662703
  C      -3.642292     -4.222091      1.944622
  C      -4.420042     -3.096563      2.128781
  C      -4.717826     -2.246521      1.034418
  C      -4.458531      6.138242      6.378740
  C      -4.589120      7.658371      6.165861
  C      -5.040746      8.026345      4.752195
  C      -6.402020      7.505955      4.367291
  N      -7.291557      7.334467      5.338152
  C      -8.526320      6.883693      4.989462
  N      -8.957319      6.559195      3.788163
  C      -8.056781      6.707737      2.772060
  C      -8.440844      6.346990      1.456651
  C      -7.561732      6.510337      0.407417
  C      -6.270507      7.044056      0.629404
  C      -5.866322      7.390901      1.903994
  C      -6.741393      7.217854      3.007145
  C      -6.065543      2.230217      6.624116
  C      -6.804517      3.011081      7.719467
  C      -8.209916      2.430730      7.995001
  C      -9.187495      2.752504      6.899909
  N      -9.262852      1.901514      5.881365
  C     -10.113930      2.211342      4.866771
  N     -10.919879      3.249541      4.775881
  C     -10.877186      4.130470      5.819562
  C     -11.729179      5.262468      5.798707
  C     -11.706580      6.165697      6.840423
  C     -10.828044      5.981349      7.934735
  C      -9.984459      4.890006      7.977564
  C      -9.994297      3.934903      6.928543
  H      -3.653522      0.896600      1.770227
  H      -5.046260      1.917930      2.153897
  H      -5.454363      0.510365      4.224208
  H      -4.216978     -0.624145      3.656152
  H      -6.493792     -1.388493      3.005922
  H      -6.826863      0.173854      2.226252
  H      -5.497748     -0.122033     -1.997223
  H      -3.040394     -3.965465     -1.422056
  H      -2.519781     -5.432573      0.534355
  H      -3.418117     -4.874504      2.790038
  H      -4.813198     -2.861486      3.118465
  H      -5.467696      5.702880      6.370504
  H      -4.053129      5.963269      7.398776
  H      -3.621795      8.151933      6.354202
  H      -5.301208      8.051115      6.906709
  H      -5.058748      9.125903      4.643584
  H      -4.295979      7.655540      4.035361
  H      -9.234578      6.771601      5.815328
  H      -9.438624      5.931563      1.311516
  H      -7.859835      6.226552     -0.603695
  H      -5.591817      7.182352     -0.214159
  H      -4.871056      7.807560      2.062206
  H      -5.974772      1.175553      6.964179
  H      -6.683686      2.210053      5.717993
  H      -6.223850      2.983362      8.655702
  H      -6.882972      4.069312      7.421873
  H      -8.137014      1.335088      8.071629
  H      -8.581911      2.806831      8.957476
  H     -10.127139      1.500768      4.033917
  H     -12.385536      5.391176      4.937502
  H     -12.363833      7.036801      6.820112
  H     -10.815998      6.711063      8.745938
  H      -9.306668      4.761892      8.821744
  N      -3.550059      4.841728      2.590447
  H      -2.949036      5.656546      2.735600
  H      -4.411920      5.189271      2.160041
  H      -3.097008      4.226117      1.911589
  N      -5.953000      3.744440      3.847374
  N      -7.016661      3.758857      3.397154
101
Coordinates from ORCA-job orca E -6314.515170492056
  N      -3.450434      2.112677      3.455883
  Mo     -4.179609      3.620027      4.577840
  N      -4.761991      2.744581      6.256647
  C      -3.755008      2.517536      7.292207
  C      -2.429215      2.189974      6.620930
  N      -2.159315      3.196303      5.556556
  C      -1.312009      2.642210      4.473998
  C      -2.110843      1.611150      3.683496
  C      -1.605555      4.451438      6.138774
  C      -2.240428      5.652068      5.431822
  N      -3.676667      5.459033      5.351414
  H      -1.583811      1.408323      2.727848
  H      -2.112336      0.640201      4.226739
  H      -1.041429      3.484017      3.819729
  H      -0.378962      2.205130      4.878772
  H      -1.968467      6.579410      5.968752
  H      -1.801808      5.744408      4.420431
  H      -1.887661      4.480250      7.200610
  H      -0.501795      4.447419      6.084404
  H      -4.037902      1.674896      7.950591
  H      -3.640853      3.402558      7.949019
  H      -2.511178      1.206219      6.141556
  H      -1.590768      2.158549      7.340296
  C      -4.269270      1.292416      2.579987
  C      -4.965563      0.126785      3.298892
  C      -6.031689     -0.560318      2.420336
  C      -5.487437     -1.078880      1.120723
  N      -5.746388     -0.370436      0.024802
  C      -5.207891     -0.805935     -1.144634
  N      -4.440291     -1.860248     -1.342017
  C      -4.175286     -2.618383     -0.234276
  C      -3.372276     -3.778188     -0.367598
  C      -3.103000     -4.564544      0.733989
  C      -3.626222     -4.227936      2.004838
  C      -4.408100     -3.101235      2.162346
  C      -4.695241     -2.269052      1.051370
  C      -4.460225      6.124785      6.378614
  C      -4.587932      7.647164      6.181280
  C      -5.042327      8.029887      4.772334
  C      -6.405917      7.515823      4.386985
  N      -7.293365      7.339904      5.359005
  C      -8.530135      6.894786      5.010595
  N      -8.965447      6.580434      3.808112
  C      -8.067359      6.734191      2.790567
  C      -8.456455      6.385240      1.473537
  C      -7.579532      6.553312      0.423262
  C      -6.285658      7.080500      0.645788
  C      -5.876904      7.416589      1.921675
  C      -6.749655      7.238318      3.025813
  C      -6.076421      2.225635      6.591233
  C      -6.809237      2.996838      7.697499
  C      -8.215474      2.417687      7.970939
  C      -9.197416      2.757379      6.885202
  N      -9.283044      1.918840      5.857247
  C     -10.141498      2.242875      4.853278
  N     -10.945745      3.283998      4.781690
  C     -10.890736      4.153415      5.834461
  C     -11.738524      5.288796      5.833423
  C     -11.701391      6.181845      6.883527
  C     -10.812521      5.983312      7.966983
  C      -9.973806      4.887631      7.991055
  C      -9.998543      3.942899      6.933033
  H      -3.654616      0.898383      1.744512
  H      -5.046904      1.923090      2.120747
  H      -5.465675      0.527912      4.193678
  H      -4.220344     -0.607247      3.645102
  H      -6.494572     -1.381973      2.988688
  H      -6.818520      0.168726      2.182102
  H      -5.445234     -0.195473     -2.022497
  H      -2.987152     -4.023646     -1.358381
  H      -2.485588     -5.458278      0.626750
  H      -3.410607     -4.866469      2.862990
  H      -4.812893     -2.851730      3.143746
  H      -5.470122      5.691248      6.366264
  H      -4.054944      5.938259      7.396633
  H      -3.619073      8.136652      6.372298
  H      -5.297530      8.034125      6.927514
  H      -5.058386      9.130438      4.674384
  H      -4.300410      7.664234      4.049870
  H      -9.236551      6.779520      5.837577
  H      -9.456266      5.974811      1.328043
  H      -7.881458      6.278458     -0.589128
  H      -5.608626      7.222440     -0.198478
  H      -4.879932      7.828996      2.080303
  H      -5.990347      1.166536      6.918790
  H      -6.696476      2.219547      5.686219
  H      -6.225964      2.956301      8.631597
  H      -6.884922      4.058704      7.412469
  H      -8.145995      1.320883      8.032271
  H      -8.582066      2.781634      8.940182
  H     -10.163255      1.542373      4.012187
  H     -12.402700      5.428779      4.979989
  H     -12.354776      7.056090      6.878111
  H     -10.788711      6.705526      8.784585
  H      -9.287725      4.748582      8.826776
  N      -3.550824      4.859126      2.579538
  H      -2.946961      5.670547      2.732111
  H      -4.412124      5.213691      2.153644
  H      -3.100360      4.248793      1.894228
  N      -5.953558      3.750533      3.818793
  N      -7.015030      3.768895      3.363332
101
Coordinates from ORCA-job orca E -6314.515247261869
  N      -3.450564      2.126154      3.423455
  Mo     -4.181971      3.624362      4.556088
  N      -4.767785      2.737769      6.227773
  C      -3.762444      2.502297      7.263238
  C      -2.436099      2.178199      6.591676
  N      -2.163130      3.192199      5.535560
  C      -1.313921      2.645808      4.450767
  C      -2.111733      1.621999      3.650248
  C      -1.609250      4.442430      6.127958
  C      -2.242442      5.648249      5.428551
  N      -3.678849      5.457475      5.345676
  H      -1.582605      1.426011      2.694377
  H      -2.115687      0.646802      4.185841
  H      -1.040741      3.492592      3.804005
  H      -0.382276      2.204575      4.854185
  H      -1.969712      6.571999      5.971306
  H      -1.803266      5.746334      4.417961
  H      -1.892394      4.463815      7.189700
  H      -0.505439      4.438133      6.074789
  H      -4.046985      1.655326      7.915390
  H      -3.648608      3.382640      7.926326
  H      -2.518662      1.198258      6.104641
  H      -1.598881      2.140140      7.312129
  C      -4.270407      1.305117      2.548597
  C      -4.972060      0.145330      3.271832
  C      -6.028476     -0.552889      2.390542
  C      -5.468211     -1.095456      1.107686
  N      -5.709111     -0.405472     -0.003963
  C      -5.156192     -0.863661     -1.157921
  N      -4.389809     -1.923832     -1.326097
  C      -4.142847     -2.663193     -0.201595
  C      -3.342141     -3.827786     -0.303337
  C      -3.090718     -4.595413      0.815457
  C      -3.630105     -4.234698      2.072817
  C      -4.410116     -3.102859      2.199673
  C      -4.679245     -2.289397      1.070342
  C      -4.461113      6.113002      6.380511
  C      -4.587249      7.637347      6.198436
  C      -5.044271      8.034386      4.794209
  C      -6.409514      7.525615      4.407628
  N      -7.295187      7.343979      5.380252
  C      -8.533398      6.903613      5.031299
  N      -8.972094      6.599495      3.827372
  C      -8.076124      6.759875      2.808952
  C      -8.469279      6.423078      1.490022
  C      -7.594325      6.597541      0.439179
  C      -6.298493      7.119421      0.663049
  C      -5.886037      7.444273      1.940566
  C      -6.756743      7.259191      3.045196
  C      -6.083632      2.220364      6.559084
  C      -6.811035      2.980733      7.676370
  C      -8.217291      2.400801      7.947599
  C      -9.203293      2.755546      6.870411
  N      -9.297159      1.928088      5.834290
  C     -10.162176      2.263871      4.839790
  N     -10.965778      3.306598      4.785286
  C     -10.900744      4.165748      5.845938
  C     -11.745794      5.303065      5.862419
  C     -11.696740      6.186982      6.919808
  C     -10.798680      5.976832      7.993474
  C      -9.963275      4.878367      8.000938
  C     -10.000277      3.942951      6.935143
  H      -3.654359      0.905347      1.717087
  H      -5.044674      1.936055      2.083990
  H      -5.480796      0.554518      4.157989
  H      -4.228624     -0.583661      3.632216
  H      -6.501792     -1.363347      2.966209
  H      -6.809457      0.174728      2.129538
  H      -5.378981     -0.268065     -2.049660
  H      -2.944300     -4.091971     -1.284227
  H      -2.475090     -5.492943      0.732469
  H      -3.428623     -4.858710      2.944989
  H      -4.827370     -2.834968      3.170930
  H      -5.471378      5.680439      6.364637
  H      -4.055293      5.915749      7.396278
  H      -3.617301      8.123570      6.392218
  H      -5.294816      8.017973      6.949817
  H      -5.059340      9.135836      4.707091
  H      -4.304531      7.674827      4.066439
  H      -9.238241      6.783937      5.858957
  H      -9.470610      6.016688      1.343563
  H      -7.899348      6.331966     -0.574715
  H      -5.622955      7.266352     -0.181546
  H      -4.887838      7.853299      2.100248
  H      -6.001076      1.157019      6.873783
  H      -6.705779      2.227972      5.655520
  H      -6.225069      2.928213      8.608142
  H      -6.885396      4.045986      7.403957
  H      -8.149537      1.303208      7.994631
  H      -8.579693      2.752764      8.922892
  H     -10.190784      1.572378      3.991529
  H     -12.416904      5.452321      5.015996
  H     -12.347503      7.063190      6.927600
  H     -10.765192      6.692324      8.816602
  H      -9.269854      4.730378      8.829045
  N      -3.552366      4.881360      2.570230
  H      -2.946277      5.689680      2.730491
  H      -4.413756      5.242490      2.150020
  H      -3.104535      4.277475      1.877515
  N      -5.953681      3.758786      3.792928
  N      -7.013464      3.780234      3.333456
101
Coordinates from ORCA-job orca E -6314.515320413256
  N      -3.448526      2.142450      3.389865
  Mo     -4.182787      3.630362      4.534019
  N      -4.771418      2.731440      6.198041
  C      -3.767599      2.487699      7.233264
  C      -2.440535      2.168086      6.561285
  N      -2.165136      3.190212      5.513825
  C      -1.313889      2.652163      4.426616
  C      -2.110439      1.635731      3.615841
  C      -1.611636      4.435481      6.116798
  C      -2.243852      5.646475      5.425668
  N      -3.680343      5.457306      5.340443
  H      -1.579069      1.446947      2.659814
  H      -2.116741      0.656183      4.143449
  H      -1.038371      3.504111      3.787635
  H      -0.383512      2.206914      4.828479
  H      -1.970739      6.566459      5.974650
  H      -1.804317      5.751028      4.415907
  H      -1.895662      4.448814      7.178445
  H      -0.507781      4.431433      6.064667
  H      -4.053313      1.636016      7.878792
  H      -3.654583      3.363101      7.902966
  H      -2.523106      1.192145      6.066275
  H      -1.604498      2.123613      7.282721
  C      -4.269169      1.321395      2.515139
  C      -4.978974      0.169003      3.242257
  C      -6.025811     -0.539025      2.357608
  C      -5.448992     -1.108320      1.093897
  N      -5.667060     -0.437481     -0.034029
  C      -5.099351     -0.921232     -1.170267
  N      -4.338253     -1.989709     -1.306533
  C      -4.114272     -2.709509     -0.164656
  C      -3.320462     -3.881311     -0.231972
  C      -3.091892     -4.629380      0.904759
  C      -3.647994     -4.241244      2.146549
  C      -4.421755     -3.101897      2.239940
  C      -4.667754     -2.308069      1.091427
  C      -4.461608      6.101703      6.383086
  C      -4.587330      7.627819      6.216682
  C      -5.047205      8.039194      4.817439
  C      -6.413609      7.534732      4.429331
  N      -7.297460      7.346296      5.402357
  C      -8.536691      6.909724      5.052609
  N      -8.978270      6.615605      3.847216
  C      -8.084425      6.783672      2.828149
  C      -8.481054      6.458773      1.507322
  C      -7.608170      6.640909      0.456084
  C      -6.311043      7.158973      0.681485
  C      -5.895372      7.472678      1.960675
  C      -6.763941      7.279525      3.065611
  C      -6.088299      2.214421      6.525735
  C      -6.811168      2.962730      7.654050
  C      -8.217104      2.380770      7.922175
  C      -9.206811      2.750259      6.853410
  N      -9.307509      1.934596      5.808671
  C     -10.178494      2.282009      4.823358
  N     -10.982145      3.325515      4.786016
  C     -10.908668      4.173576      5.855057
  C     -11.751867      5.311889      5.889199
  C     -11.692591      6.185790      6.954433
  C     -10.786194      5.964086      8.018748
  C      -9.953199      4.863794      8.009446
  C     -10.000705      3.938582      6.935298
  H      -3.651208      0.914791      1.688616
  H      -5.038564      1.953429      2.043855
  H      -5.496756      0.587565      4.118661
  H      -4.239189     -0.555835      3.618214
  H      -6.512444     -1.336279      2.940448
  H      -6.798525      0.188210      2.071877
  H      -5.303530     -0.340942     -2.076401
  H      -2.909330     -4.166702     -1.201371
  H      -2.481563     -5.532562      0.848224
  H      -3.464511     -4.850039      3.033343
  H      -4.851902     -2.812969      3.199448
  H      -5.471929      5.669395      6.363803
  H      -4.054896      5.893858      7.396371
  H      -3.616655      8.111432      6.413311
  H      -5.293145      8.001345      6.973238
  H      -5.062230      9.141459      4.741557
  H      -4.309240      7.686741      4.084388
  H      -9.239976      6.784793      5.880778
  H      -9.483366      6.055188      1.359745
  H      -7.915854      6.384464     -0.559323
  H      -5.637105      7.311960     -0.163302
  H      -4.896408      7.879353      2.121591
  H      -6.008462      1.146954      6.827148
  H      -6.712388      2.235526      5.623722
  H      -6.222793      2.898310      8.583518
  H      -6.884939      4.031292      7.394776
  H      -8.150271      1.282606      7.954369
  H      -8.576053      2.719873      8.903345
  H     -10.212723      1.600172      3.967556
  H     -12.429253      5.470389      5.049470
  H     -12.341481      7.063197      6.975563
  H     -10.744401      6.672138      8.847885
  H      -9.253148      4.706880      8.830314
  N      -3.553221      4.906601      2.561312
  H      -2.945406      5.712006      2.729716
  H      -4.415003      5.273983      2.147326
  H      -3.107772      4.310090      1.860708
  N      -5.952412      3.767984      3.766991
  N      -7.010589      3.791859      3.303738
101
Coordinates from ORCA-job orca E -6314.515390606298
  N      -3.446283      2.158802      3.356096
  Mo     -4.183484      3.636307      4.511673
  N      -4.775106      2.725059      6.167836
  C      -3.772912      2.472958      7.202827
  C      -2.445076      2.157828      6.530559
  N      -2.167124      3.188056      5.491904
  C      -1.313755      2.658398      4.402410
  C      -2.108970      1.649492      3.581342
  C      -1.614036      4.428230      6.105520
  C      -2.245194      5.644381      5.422713
  N      -3.681764      5.456884      5.335026
  H      -1.575272      1.467930      2.625262
  H      -2.117678      0.665644      4.100891
  H      -1.035831      3.515463      3.771322
  H      -0.384692      2.209101      4.802743
  H      -1.971726      6.560525      5.977961
  H      -1.805207      5.755429      4.413865
  H      -1.899026      4.433475      7.166988
  H      -0.510134      4.424394      6.054515
  H      -4.059873      1.616581      7.841616
  H      -3.660763      3.343326      7.879167
  H      -2.527634      1.185983      6.027541
  H      -1.610289      2.106862      7.252992
  C      -4.267577      1.337627      2.481456
  C      -4.985369      0.192603      3.212403
  C      -6.022579     -0.525475      2.324752
  C      -5.429615     -1.121129      1.080894
  N      -5.624836     -0.469953     -0.062604
  C      -5.042707     -0.978984     -1.180394
  N      -4.287274     -2.055004     -1.284655
  C      -4.086298     -2.754694     -0.126120
  C      -3.299769     -3.932876     -0.158950
  C      -3.094069     -4.660827      0.995010
  C      -3.666531     -4.245522      2.220438
  C      -4.433670     -3.099474      2.280290
  C      -4.656505     -2.325858      1.113303
  C      -4.462057      6.090097      6.385328
  C      -4.587262      7.617830      6.234590
  C      -5.049967      8.043500      4.840493
  C      -6.417590      7.543443      4.450999
  N      -7.299543      7.348272      5.424458
  C      -8.539858      6.915586      5.074080
  N      -8.984460      6.631523      3.867355
  C      -8.092824      6.807220      2.847621
  C      -8.493081      6.494272      1.525057
  C      -7.622342      6.683993      0.473405
  C      -6.323848      7.198110      0.700168
  C      -5.904823      7.500634      1.980881
  C      -6.771170      7.299488      3.086131
  C      -6.093075      2.208519      6.491791
  C      -6.811430      2.944456      7.631069
  C      -8.217097      2.360508      7.895834
  C      -9.210383      2.744951      6.835734
  N      -9.317971      1.941405      5.782384
  C     -10.194844      2.300573      4.806494
  N     -10.998418      3.344681      4.786547
  C     -10.916436      4.181338      5.863975
  C     -11.757658      5.320451      5.916027
  C     -11.688095      6.184029      6.989101
  C     -10.773416      5.950652      8.043813
  C      -9.942956      4.848706      8.017504
  C     -10.001043      3.934009      6.935009
  H      -3.647664      0.924288      1.659989
  H      -5.032144      1.970574      2.003472
  H      -5.512063      0.620439      4.078883
  H      -4.249283     -0.527810      3.603823
  H      -6.522414     -1.309417      2.914319
  H      -6.786771      0.200791      2.014480
  H      -5.228238     -0.414477     -2.100365
  H      -2.875616     -4.239295     -1.116242
  H      -2.489329     -5.569022      0.964973
  H      -3.501078     -4.838651      3.121301
  H      -4.876445     -2.789706      3.227452
  H      -5.472453      5.658121      6.362620
  H      -4.054491      5.871675      7.396031
  H      -3.615823      8.098739      6.434033
  H      -5.291295      7.984267      6.996238
  H      -5.064854      9.146464      4.775821
  H      -4.313827      7.698140      4.102226
  H      -9.241511      6.785449      5.902794
  H      -9.496428      6.093598      1.376503
  H      -7.932802      6.436711     -0.543397
  H      -5.651564      7.357079     -0.144815
  H      -4.905043      7.904859      2.142909
  H      -6.016079      1.137046      6.779695
  H      -6.719018      2.243304      5.591487
  H      -6.220740      2.867951      8.558112
  H      -6.884498      4.016219      7.385181
  H      -8.151294      1.261962      7.912918
  H      -8.572635      2.686438      8.882756
  H     -10.234736      1.628665      3.943149
  H     -12.441278      5.488300      5.083181
  H     -12.335018      7.062487      7.023761
  H     -10.723267      6.651035      8.878955
  H      -9.236320      4.682773      8.830936
  N      -3.553770      4.931729      2.552407
  H      -2.944218      5.734104      2.728997
  H      -4.415886      5.305328      2.144660
  H      -3.110661      4.342711      1.844013
  N      -5.950918      3.777244      3.740592
  N      -7.007421      3.803622      3.273460
101
Coordinates from ORCA-job orca E -6314.515462770158
  N      -3.452504      2.170430      3.324630
  Mo     -4.188518      3.639673      4.491655
  N      -4.781147      2.718234      6.141759
  C      -3.778864      2.456655      7.174442
  C      -2.452067      2.143813      6.499368
  N      -2.172165      3.181307      5.468690
  C      -1.319280      2.658972      4.375557
  C      -2.115488      1.658252      3.545761
  C      -1.616958      4.415831      6.091434
  C      -2.246261      5.637480      5.417041
  N      -3.683331      5.453701      5.329324
  H      -1.581773      1.484094      2.588357
  H      -2.125724      0.669995      4.056874
  H      -1.039196      3.520786      3.751901
  H      -0.391264      2.204756      4.772659
  H      -1.970268      6.549766      5.977409
  H      -1.807237      5.753707      4.408359
  H      -1.901580      4.414009      7.153014
  H      -0.513078      4.410656      6.040139
  H      -4.067022      1.596301      7.807386
  H      -3.664933      3.322031      7.856862
  H      -2.537006      1.176075      5.988879
  H      -1.617193      2.085407      7.221117
  C      -4.276364      1.349310      2.451630
  C      -4.996307      0.207917      3.186182
  C      -6.022297     -0.523642      2.296715
  C      -5.413389     -1.140044      1.070758
  N      -5.593611     -0.508608     -0.086158
  C      -4.997176     -1.036887     -1.187402
  N      -4.240250     -2.114138     -1.263369
  C      -4.054148     -2.793749     -0.090461
  C      -3.266979     -3.971937     -0.092989
  C      -3.075941     -4.679949      1.075696
  C      -3.664139     -4.243987      2.286345
  C      -4.432201     -3.097411      2.316762
  C      -4.640378     -2.343838      1.133923
  C      -4.460140      6.077874      6.387651
  C      -4.581275      7.607270      6.251946
  C      -5.046593      8.047708      4.863177
  C      -6.416958      7.555448      4.473235
  N      -7.297258      7.356433      5.447453
  C      -8.540025      6.931177      5.097045
  N      -8.989098      6.658723      3.889228
  C      -8.099503      6.839171      2.868514
  C      -8.505174      6.540054      1.544461
  C      -7.636290      6.734132      0.492113
  C      -6.334373      7.239249      0.719737
  C      -5.910451      7.529161      2.001648
  C      -6.774890      7.323241      3.107516
  C      -6.100383      2.204355      6.464665
  C      -6.812797      2.931918      7.613042
  C      -8.218259      2.347571      7.877380
  C      -9.214777      2.741413      6.823805
  N      -9.327761      1.945104      5.765588
  C     -10.209358      2.311119      4.796494
  N     -11.012865      3.355493      4.787971
  C     -10.924024      4.185645      5.869933
  C     -11.763645      5.325345      5.933478
  C     -11.685803      6.183355      7.010499
  C     -10.764504      5.943333      8.057958
  C      -9.936069      4.840143      8.020817
  C     -10.002656      3.931233      6.934062
  H      -3.656622      0.932305      1.632067
  H      -5.039269      1.982514      1.971289
  H      -5.531828      0.641365      4.044330
  H      -4.260168     -0.505278      3.590422
  H      -6.530291     -1.297685      2.892265
  H      -6.781960      0.197972      1.964864
  H      -5.170653     -0.488513     -2.119368
  H      -2.830530     -4.294523     -1.039376
  H      -2.470819     -5.588349      1.068944
  H      -3.510268     -4.821600      3.199284
  H      -4.887086     -2.771878      3.252785
  H      -5.471616      5.648550      6.362581
  H      -4.051327      5.848510      7.395406
  H      -3.607830      8.083247      6.453408
  H      -5.282215      7.968481      7.018896
  H      -5.058470      9.151250      4.809223
  H      -4.313678      7.707188      4.119431
  H      -9.240072      6.797803      5.926548
  H      -9.511303      6.146519      1.395486
  H      -7.950852      6.497414     -0.525866
  H      -5.663412      7.401527     -0.125663
  H      -4.908378      7.927421      2.164301
  H      -6.027028      1.129783      6.741894
  H      -6.728799      2.250977      5.566642
  H      -6.219185      2.846170      8.537361
  H      -6.884717      4.005912      7.376864
  H      -8.153564      1.248882      7.884728
  H      -8.570429      2.665127      8.868315
  H     -10.253818      1.645096      3.928870
  H     -12.452259      5.498562      5.105851
  H     -12.330974      7.062751      7.053773
  H     -10.707585      6.639686      8.896004
  H      -9.224102      4.669276      8.828571
  N      -3.560115      4.951334      2.543818
  H      -2.947479      5.750072      2.726291
  H      -4.422649      5.331487      2.143031
  H      -3.121234      4.368124      1.828018
  N      -5.954994      3.786936      3.719926
  N      -7.010620      3.818469      3.250872
101
Coordinates from ORCA-job orca E -6314.515531267868
  N      -3.465937      2.176625      3.295227
  Mo     -4.197596      3.639566      4.473385
  N      -4.790464      2.709684      6.118613
  C      -3.787145      2.437062      7.147483
  C      -2.462605      2.124840      6.467895
  N      -2.180753      3.169215      5.444896
  C      -1.330020      2.653540      4.347266
  C      -2.128788      1.661610      3.509635
  C      -1.621657      4.397519      6.076043
  C      -2.247911      5.625195      5.410114
  N      -3.685741      5.446790      5.323376
  H      -1.596703      1.495407      2.549962
  H      -2.139773      0.668771      4.011762
  H      -1.047617      3.519804      3.730858
  H      -0.403058      2.193621      4.740132
  H      -1.968006      6.533350      5.975253
  H      -1.810269      5.746030      4.401357
  H      -1.905564      4.389205      7.137771
  H      -0.517823      4.389679      6.024024
  H      -4.076961      1.573070      7.774751
  H      -3.669327      3.297073      7.836036
  H      -2.551802      1.161411      5.950031
  H      -1.626832      2.057858      7.187846
  C      -4.293257      1.356122      2.424205
  C      -5.010142      0.214651      3.161546
  C      -6.022830     -0.533580      2.270919
  C      -5.397208     -1.165122      1.061053
  N      -5.569485     -0.553524     -0.107667
  C      -4.957821     -1.095216     -1.194030
  N      -4.192120     -2.167647     -1.244677
  C      -4.013496     -2.827027     -0.059120
  C      -3.217492     -3.998958     -0.034671
  C      -3.033595     -4.686967      1.146935
  C      -3.637904     -4.236480      2.344188
  C      -4.414765     -3.095454      2.348382
  C      -4.616091     -2.362099      1.151621
  C      -4.457817      6.064188      6.389169
  C      -4.572695      7.595130      6.267270
  C      -5.040456      8.049724      4.883779
  C      -6.414351      7.566668      4.494537
  N      -7.292792      7.365606      5.470082
  C      -8.538794      6.949319      5.120636
  N      -8.993433      6.688888      3.912169
  C      -8.106168      6.872323      2.889929
  C      -8.518610      6.587498      1.564884
  C      -7.651863      6.783903      0.511246
  C      -6.345466      7.277517      0.738688
  C      -5.915401      7.554521      2.021298
  C      -6.777631      7.345880      3.128379
  C      -6.111591      2.201145      6.442151
  C      -6.816232      2.924202      7.598270
  C      -8.222747      2.343307      7.864153
  C      -9.221758      2.745989      6.816225
  N      -9.340382      1.955589      5.754235
  C     -10.224804      2.328648      4.790388
  N     -11.026377      3.374563      4.790841
  C     -10.931264      4.198992      5.876668
  C     -11.768414      5.339929      5.949657
  C     -11.683998      6.192447      7.030545
  C     -10.758383      5.945418      8.072583
  C      -9.932358      4.840719      8.026356
  C     -10.005834      3.937371      6.935481
  H      -3.675107      0.938687      1.603757
  H      -5.057256      1.989128      1.945344
  H      -5.554920      0.650074      4.012776
  H      -4.270574     -0.488749      3.576409
  H      -6.534185     -1.301243      2.871806
  H      -6.781965      0.179706      1.920095
  H      -5.125333     -0.563513     -2.136637
  H      -2.768671     -4.333087     -0.971206
  H      -2.421830     -5.590807      1.160975
  H      -3.489624     -4.798465      3.267746
  H      -4.881949     -2.758831      3.274315
  H      -5.471007      5.639006      6.362428
  H      -4.047784      5.824349      7.393980
  H      -3.596549      8.064966      6.470034
  H      -5.269797      7.952651      7.039396
  H      -5.047809      9.153701      4.839535
  H      -4.311546      7.712459      4.134603
  H      -9.236813      6.813279      5.951395
  H      -9.528484      6.203398      1.416411
  H      -7.971543      6.558079     -0.507524
  H      -5.676004      7.441438     -0.107568
  H      -4.910238      7.945038      2.183690
  H      -6.043555      1.124080      6.710860
  H      -6.742725      2.258699      5.546731
  H      -6.219585      2.829975      8.519761
  H      -6.884723      3.999949      7.369329
  H      -8.161593      1.244414      7.864526
  H      -8.570651      2.655757      8.858295
  H     -10.273801      1.667576      3.919297
  H     -12.460386      5.518704      5.126017
  H     -12.326967      7.073048      7.081033
  H     -10.696087      6.637747      8.913565
  H      -9.216917      4.664658      8.829925
  N      -3.569850      4.964648      2.535191
  H      -2.953346      5.759409      2.721944
  H      -4.432515      5.351364      2.140944
  H      -3.136015      4.385755      1.812827
  N      -5.963934      3.796110      3.703462
  N      -7.019350      3.835259      3.234265
101
Coordinates from ORCA-job orca E -6314.515599168312
  N      -3.487498      2.178723      3.267720
  Mo     -4.210282      3.637518      4.457235
  N      -4.802245      2.700694      6.098814
  C      -3.796665      2.415039      7.121879
  C      -2.476070      2.101464      6.435388
  N      -2.192247      3.152355      5.419797
  C      -1.346161      2.642443      4.316259
  C      -2.149965      1.660269      3.472109
  C      -1.626526      4.373507      6.058466
  C      -2.248380      5.608051      5.401501
  N      -3.687313      5.437285      5.317594
  H      -1.621731      1.502313      2.508949
  H      -2.161158      0.662664      3.964668
  H      -1.061306      3.512813      3.706810
  H      -0.420187      2.175684      4.703258
  H      -1.962481      6.511653      5.970925
  H      -1.813058      5.732762      4.392183
  H      -1.908719      4.359333      7.120574
  H      -0.522810      4.361162      6.004598
  H      -4.088590      1.547679      7.743568
  H      -3.672273      3.269065      7.816772
  H      -2.572047      1.142713      5.910101
  H      -1.638318      2.024287      7.152017
  C      -4.320456      1.359135      2.400618
  C      -5.027975      0.213943      3.141073
  C      -6.025929     -0.553984      2.250799
  C      -5.383546     -1.195098      1.054651
  N      -5.555683     -0.603401     -0.124275
  C      -4.928897     -1.152832     -1.198137
  N      -4.147439     -2.214544     -1.227161
  C      -3.968221     -2.853674     -0.030623
  C      -3.155552     -4.013338      0.016803
  C      -2.970663     -4.681400      1.209550
  C      -3.590483     -4.222459      2.395534
  C      -4.383634     -3.092839      2.377431
  C      -4.586523     -2.379697      1.168638
  C      -4.452629      6.050481      6.390637
  C      -4.557979      7.582953      6.281041
  C      -5.028335      8.051273      4.902879
  C      -6.407431      7.580878      4.516296
  N      -7.283794      7.381569      5.494119
  C      -8.534514      6.977657      5.147220
  N      -8.996589      6.729757      3.938847
  C      -8.111894      6.912137      2.914174
  C      -8.533123      6.641655      1.588943
  C      -7.668685      6.835990      0.533080
  C      -6.355960      7.313532      0.758600
  C      -5.917854      7.577667      2.041093
  C      -6.777732      7.370865      3.150347
  C      -6.125484      2.199211      6.424720
  C      -6.821494      2.920988      7.587026
  C      -8.229334      2.345188      7.856471
  C      -9.230231      2.752945      6.812219
  N      -9.352950      1.965125      5.748789
  C     -10.238450      2.342385      4.787581
  N     -11.037602      3.390139      4.792173
  C     -10.938333      4.211868      5.879690
  C     -11.773099      5.354207      5.957133
  C     -11.684791      6.203977      7.039871
  C     -10.757395      5.952594      8.079299
  C      -9.933407      4.846521      8.028692
  C     -10.011017      3.945986      6.935833
  H      -3.706655      0.944409      1.575540
  H      -5.089062      1.991435      1.928360
  H      -5.581461      0.647570      3.987582
  H      -4.281075     -0.477067      3.563381
  H      -6.535426     -1.318797      2.856894
  H      -6.788739      0.147369      1.883975
  H      -5.096921     -0.638067     -2.149970
  H      -2.695016     -4.354461     -0.911475
  H      -2.346250     -5.576078      1.241336
  H      -3.441348     -4.768853      3.328272
  H      -4.862580     -2.749797      3.294919
  H      -5.468403      5.631523      6.363383
  H      -4.041168      5.800495      7.392393
  H      -3.577960      8.044708      6.483649
  H      -5.249741      7.938995      7.058602
  H      -5.028066      9.155536      4.866990
  H      -4.305186      7.714352      4.147973
  H      -9.230293      6.841992      5.979891
  H      -9.548196      6.270629      1.442465
  H      -7.994996      6.621078     -0.485850
  H      -5.688072      7.475509     -0.089265
  H      -4.908150      7.957024      2.201785
  H      -6.063517      1.120312      6.687234
  H      -6.759473      2.266208      5.532045
  H      -6.221616      2.820254      8.505687
  H      -6.885886      3.997858      7.362445
  H      -8.172119      1.246100      7.854051
  H      -8.573066      2.656434      8.852501
  H     -10.290930      1.683374      3.915192
  H     -12.466528      5.536416      5.135476
  H     -12.325725      7.085853      7.093873
  H     -10.691913      6.642887      8.921699
  H      -9.216403      4.667513      8.830212
  N      -3.582920      4.973063      2.526751
  H      -2.961482      5.763429      2.715781
  H      -4.445438      5.366462      2.138778
  H      -3.155315      4.396622      1.798714
  N      -5.977499      3.807289      3.692427
  N      -7.033436      3.857110      3.225197
101
Coordinates from ORCA-job orca E -6314.515656823666
  N      -3.509655      2.179807      3.240332
  Mo     -4.223108      3.634647      4.441127
  N      -4.815097      2.690655      6.078514
  C      -3.807743      2.390711      7.095639
  C      -2.491046      2.075871      6.402251
  N      -2.204597      3.133783      5.394839
  C      -1.362962      2.630048      4.285393
  C      -2.171747      1.658028      3.434417
  C      -1.632219      4.347257      6.041802
  C      -2.248875      5.589173      5.394184
  N      -3.688837      5.426400      5.312142
  H      -1.647383      1.508882      2.467766
  H      -2.183051      0.655538      3.916889
  H      -1.075389      3.504589      3.683261
  H      -0.438154      2.156266      4.666524
  H      -1.957201      6.487687      5.968699
  H      -1.815047      5.718409      4.384759
  H      -1.913369      4.326776      7.104067
  H      -0.528617      4.330057      5.986681
  H      -4.102430      1.519581      7.710788
  H      -3.676465      3.237853      7.797749
  H      -2.594097      1.122329      5.868885
  H      -1.651548      1.987601      7.115570
  C      -4.348059      1.361309      2.377003
  C      -5.044443      0.211240      3.120219
  C      -6.027135     -0.576764      2.230685
  C      -5.367708     -1.225936      1.048064
  N      -5.540623     -0.654449     -0.140689
  C      -4.898434     -1.210393     -1.202120
  N      -4.100349     -2.259975     -1.209924
  C      -3.919549     -2.878388     -0.002788
  C      -3.089058     -4.024149      0.067269
  C      -2.902170     -4.671728      1.270885
  C      -3.537624     -4.205419      2.445614
  C      -4.348180     -3.088797      2.405509
  C      -4.553656     -2.396517      1.185000
  C      -4.448152      6.036276      6.391295
  C      -4.544245      7.570028      6.292770
  C      -5.017359      8.050743      4.919775
  C      -6.401640      7.592588      4.536917
  N      -7.275281      7.395361      5.517668
  C      -8.530794      7.003490      5.174386
  N      -9.000807      6.767321      3.966658
  C      -8.119311      6.948123      2.938934
  C      -8.549777      6.690640      1.614126
  C      -7.688316      6.882262      0.555380
  C      -6.369508      7.344376      0.777699
  C      -5.922852      7.596770      2.059513
  C      -6.779669      7.392522      3.171596
  C      -6.140871      2.197085      6.406200
  C      -6.827823      2.917813      7.574737
  C      -8.237954      2.349184      7.847179
  C      -9.240022      2.765101      6.807126
  N      -9.367446      1.982190      5.740620
  C     -10.252949      2.366867      4.782375
  N     -11.048207      3.417518      4.792765
  C     -10.944736      4.233802      5.883985
  C     -11.776278      5.377979      5.968185
  C     -11.684738      6.221752      7.055298
  C     -10.756864      5.962461      8.092366
  C      -9.935471      4.854747      8.034987
  C     -10.016647      3.960118      6.937535
  H      -3.739144      0.950608      1.546271
  H      -5.122230      1.992705      1.912831
  H      -5.606300      0.641618      3.962881
  H      -4.289355     -0.466899      3.548613
  H      -6.533663     -1.339487      2.841947
  H      -6.794425      0.111488      1.848558
  H      -5.067837     -0.713032     -2.162871
  H      -2.616690     -4.371423     -0.852735
  H      -2.264136     -5.555927      1.320202
  H      -3.386740     -4.735742      3.387297
  H      -4.838895     -2.740059      3.314551
  H      -5.466413      5.623400      6.363484
  H      -4.035709      5.777116      7.390330
  H      -3.560462      8.024025      6.494641
  H      -5.230607      7.925087      7.075519
  H      -5.009475      9.155161      4.891112
  H      -4.300117      7.713609      4.159358
  H      -9.223708      6.867934      6.009481
  H      -9.569769      6.332073      1.470625
  H      -8.021585      6.677177     -0.463251
  H      -5.703731      7.503897     -0.072268
  H      -4.908693      7.965220      2.217505
  H      -6.085977      1.116321      6.662263
  H      -6.777274      2.274172      5.516140
  H      -6.225150      2.809237      8.490651
  H      -6.886504      3.995984      7.355041
  H      -8.186604      1.249820      7.840823
  H      -8.576939      2.658776      8.845381
  H     -10.309149      1.711958      3.907192
  H     -12.470236      5.566361      5.148376
  H     -12.323236      7.105004      7.114714
  H     -10.688780      6.648140      8.938326
  H      -9.218006      4.669926      8.834771
  N      -3.594063      4.980026      2.518350
  H      -2.968096      5.766201      2.709837
  H      -4.455985      5.379679      2.135348
  H      -3.171751      4.405739      1.785519
  N      -5.990982      3.818737      3.681396
  N      -7.047410      3.879798      3.216461
101
Coordinates from ORCA-job orca E -6314.515712737660
  N      -3.539354      2.177870      3.215877
  Mo     -4.238785      3.630858      4.428272
  N      -4.829548      2.680870      6.062545
  C      -3.819231      2.364236      7.071414
  C      -2.508264      2.046600      6.368391
  N      -2.219282      3.111588      5.369299
  C      -1.384595      2.613768      4.252268
  C      -2.200633      1.652746      3.395804
  C      -1.637697      4.316292      6.023991
  C      -2.247819      5.566480      5.386438
  N      -3.689066      5.413836      5.307910
  H      -1.682603      1.513165      2.424306
  H      -2.210966      0.645114      3.867359
  H      -1.094690      3.492420      3.657317
  H      -0.460636      2.132199      4.625554
  H      -1.948505      6.459336      5.965783
  H      -1.816214      5.699753      4.376524
  H      -1.916872      4.289887      7.086631
  H      -0.534318      4.292498      5.966492
  H      -4.117068      1.489281      7.679664
  H      -3.678247      3.203331      7.781409
  H      -2.621019      1.098964      5.826524
  H      -1.665929      1.945313      7.076661
  C      -4.385730      1.359928      2.359526
  C      -5.062496      0.200424      3.106042
  C      -6.029190     -0.610058      2.219238
  C      -5.353750     -1.261215      1.046577
  N      -5.534699     -0.708667     -0.149890
  C      -4.878423     -1.265196     -1.202414
  N      -4.058510     -2.297761     -1.194351
  C      -3.868792     -2.896922      0.021122
  C      -3.014752     -4.024038      0.108087
  C      -2.818600     -4.652688      1.320149
  C      -3.467919     -4.185463      2.486833
  C      -4.301310     -3.086504      2.430360
  C      -4.516780     -2.413444      1.200734
  C      -4.440687      6.023353      6.392477
  C      -4.524414      7.558284      6.302547
  C      -5.000351      8.050130      4.934389
  C      -6.391564      7.608064      4.557599
  N      -7.262067      7.417184      5.542436
  C      -8.523940      7.041397      5.204645
  N      -9.004043      6.817806      3.998408
  C      -8.126156      6.992354      2.966504
  C      -8.568121      6.748048      1.643019
  C      -7.709935      6.931724      0.580284
  C      -6.383110      7.372989      0.797361
  C      -5.925803      7.613704      2.077555
  C      -6.779267      7.417345      3.193630
  C      -6.157909      2.196527      6.393549
  C      -6.835461      2.919188      7.566578
  C      -8.247903      2.358770      7.843683
  C      -9.250252      2.778119      6.805123
  N      -9.379620      1.996366      5.737961
  C     -10.263166      2.384634      4.779444
  N     -11.054761      3.438015      4.789926
  C     -10.950266      4.252455      5.882414
  C     -11.779278      5.398342      5.967343
  C     -11.688095      6.239584      7.056393
  C     -10.762698      5.975990      8.094592
  C      -9.943054      4.866991      8.036227
  C     -10.024030      3.974842      6.936725
  H      -3.785555      0.957311      1.518409
  H      -5.170146      1.989201      1.910208
  H      -5.630839      0.622518      3.948584
  H      -4.294340     -0.462251      3.535170
  H      -6.527084     -1.374337      2.835711
  H      -6.805324      0.061788      1.825787
  H      -5.055041     -0.784220     -2.170142
  H      -2.532070     -4.372646     -0.806031
  H      -2.162557     -5.522750      1.382582
  H      -3.309577     -4.701016      3.435474
  H      -4.802413     -2.737056      3.333393
  H      -5.462200      5.618503      6.365337
  H      -4.027227      5.755901      7.388932
  H      -3.535783      8.002764      6.501909
  H      -5.203838      7.914978      7.090558
  H      -4.981310      9.154501      4.910742
  H      -4.290993      7.709115      4.168330
  H      -9.213730      6.909720      6.042950
  H      -9.594482      6.406103      1.504217
  H      -8.051837      6.736488     -0.437333
  H      -5.719596      7.525765     -0.055607
  H      -4.905653      7.967157      2.231153
  H      -6.110533      1.114544      6.645532
  H      -6.796665      2.282025      5.506045
  H      -6.229939      2.805083      8.479919
  H      -6.888204      3.998001      7.348743
  H      -8.202224      1.259150      7.838142
  H      -8.582721      2.670948      8.842492
  H     -10.321201      1.730469      3.903871
  H     -12.471492      5.590025      5.146838
  H     -12.324719      7.124130      7.116656
  H     -10.694908      6.659553      8.942280
  H      -9.227372      4.679400      8.836943
  N      -3.607935      4.982892      2.511108
  H      -2.976766      5.764836      2.702848
  H      -4.469000      5.388424      2.132282
  H      -3.191635      4.408566      1.774858
  N      -6.008246      3.832984      3.677053
  N      -7.065775      3.907949      3.216546
101
Coordinates from ORCA-job orca E -6314.515754377776
  N      -3.564752      2.178239      3.189596
  Mo     -4.252389      3.627960      4.413632
  N      -4.843605      2.670296      6.043069
  C      -3.831605      2.336199      7.044388
  C      -2.525304      2.017648      6.332881
  N      -2.233183      3.090983      5.343761
  C      -1.403619      2.600821      4.219780
  C      -2.225166      1.650693      3.356570
  C      -1.644231      4.286603      6.008114
  C      -2.247690      5.545235      5.381117
  N      -3.689907      5.401732      5.303632
  H      -1.712308      1.521618      2.380866
  H      -2.234301      0.637840      3.816643
  H      -1.111585      3.484131      3.632862
  H      -0.480502      2.112214      4.585907
  H      -1.942407      6.431849      5.966852
  H      -1.816601      5.684033      4.371677
  H      -1.922989      4.253002      7.070647
  H      -0.541017      4.257019      5.949716
  H      -4.133002      1.456383      7.643886
  H      -3.682261      3.165942      7.763742
  H      -2.646592      1.076700      5.781275
  H      -1.681020      1.902947      7.036830
  C      -4.417804      1.360269      2.339794
  C      -5.075818      0.192306      3.089760
  C      -6.026878     -0.639574      2.205871
  C      -5.335386     -1.294585      1.044601
  N      -5.519772     -0.760929     -0.159910
  C      -4.849047     -1.320124     -1.201943
  N      -4.011256     -2.337934     -1.176187
  C      -3.817405     -2.917742      0.047944
  C      -2.944129     -4.028371      0.153843
  C      -2.743576     -4.637944      1.374864
  C      -3.407615     -4.167566      2.531926
  C      -4.259775     -3.084216      2.457000
  C      -4.480004     -2.430478      1.217805
  C      -4.436041      6.009975      6.392602
  C      -4.509741      7.545842      6.311199
  C      -4.988352      8.047928      4.947737
  C      -6.385454      7.619724      4.576727
  N      -7.252381      7.433170      5.565602
  C      -8.519782      7.071360      5.233309
  N      -9.009204      6.859387      4.028685
  C      -8.135303      7.029536      2.992659
  C      -8.587762      6.796935      1.670630
  C      -7.733324      6.974727      0.603917
  C      -6.399973      7.398654      0.815619
  C      -5.932848      7.628741      2.094149
  C      -6.782427      7.438193      3.214158
  C      -6.174754      2.194606      6.375458
  C      -6.843135      2.916637      7.554303
  C      -8.258630      2.365293      7.834026
  C      -9.260915      2.794134      6.799092
  N      -9.394044      2.018558      5.727860
  C     -10.275624      2.416011      4.771379
  N     -11.062206      3.473030      4.787261
  C     -10.955123      4.280379      5.884736
  C     -11.780383      5.428407      5.976408
  C     -11.688178      6.261656      7.071430
  C     -10.764971      5.987908      8.108948
  C      -9.948219      4.877130      8.043698
  C     -10.030472      3.992800      6.937915
  H      -3.826048      0.965327      1.489033
  H      -5.211899      1.987024      1.904421
  H      -5.650233      0.606723      3.932010
  H      -4.295641     -0.455527      3.519741
  H      -6.518083     -1.403820      2.827857
  H      -6.810074      0.016619      1.800136
  H      -5.029171     -0.855554     -2.176969
  H      -2.450407     -4.379996     -0.753190
  H      -2.072702     -5.495420      1.452024
  H      -3.245656     -4.668216      3.487898
  H      -4.771926     -2.732209      3.352767
  H      -5.460151      5.611718      6.365256
  H      -4.022200      5.734830      7.386846
  H      -3.517131      7.982295      6.508537
  H      -5.183183      7.903170      7.104022
  H      -4.959864      9.152178      4.928800
  H      -4.285892      7.704221      4.176565
  H      -9.206071      6.941541      6.074835
  H      -9.619207      6.468643      1.536446
  H      -8.083117      6.788179     -0.412620
  H      -5.739140      7.546386     -0.040290
  H      -4.907702      7.969380      2.243328
  H      -6.135268      1.110928      6.621164
  H      -6.815247      2.290292      5.490336
  H      -6.235361      2.794006      8.465052
  H      -6.888807      3.996720      7.341274
  H      -8.220347      1.265394      7.825021
  H      -8.588569      2.676659      8.834684
  H     -10.336548      1.766890      3.892279
  H     -12.471113      5.627960      5.156543
  H     -12.322232      7.147607      7.137207
  H     -10.696465      6.665110      8.961682
  H      -9.234204      4.681915      8.844066
  N      -3.617483      4.988012      2.503356
  H      -2.982771      5.766644      2.696846
  H      -4.477466      5.398235      2.126989
  H      -3.204788      4.414488      1.764437
  N      -6.022557      3.846898      3.668993
  N      -7.080695      3.934351      3.212045
101
Coordinates from ORCA-job orca E -6314.515788206151
  N      -3.595157      2.177197      3.166107
  Mo     -4.267644      3.624785      4.402213
  N      -4.858628      2.659404      6.026909
  C      -3.844379      2.305084      7.018654
  C      -2.543894      1.985786      6.296491
  N      -2.248882      3.068303      5.318388
  C      -1.425895      2.586880      4.185984
  C      -2.254064      1.648115      3.316685
  C      -1.651325      4.253761      5.992852
  C      -2.246826      5.521630      5.377050
  N      -3.690105      5.388725      5.300900
  H      -1.748359      1.531058      2.335694
  H      -2.260347      0.629696      3.764028
  H      -1.132865      3.475336      3.607449
  H      -0.502958      2.091364      4.543150
  H      -1.934732      6.401280      5.969569
  H      -1.815978      5.665939      4.368194
  H      -1.929698      4.212773      7.055214
  H      -0.548346      4.217264      5.933330
  H      -4.149655      1.419453      7.607621
  H      -3.685031      3.123297      7.749164
  H      -2.675308      1.052617      5.734081
  H      -1.697006      1.855925      6.994737
  C      -4.456711      1.358441      2.325826
  C      -5.089137      0.178673      3.079429
  C      -6.024016     -0.675679      2.199598
  C      -5.317171     -1.330006      1.047087
  N      -5.508276     -0.812908     -0.163566
  C      -4.823845     -1.370109     -1.197723
  N      -3.965695     -2.370373     -1.158576
  C      -3.764337     -2.933317      0.072179
  C      -2.869023     -4.024793      0.192442
  C      -2.660710     -4.617843      1.420245
  C      -3.338901     -4.149779      2.569980
  C      -4.212500     -3.084722      2.481076
  C      -4.440796     -2.447528      1.234691
  C      -4.430324      5.998535      6.392841
  C      -4.491953      7.535179      6.316935
  C      -4.972867      8.045477      4.957369
  C      -6.377116      7.634348      4.593998
  N      -7.240178      7.456076      5.587798
  C      -8.514235      7.111717      5.262520
  N      -9.014416      6.911528      4.060265
  C      -8.144727      7.072699      3.019247
  C      -8.609042      6.850987      1.699467
  C      -7.758486      7.017982      0.627962
  C      -6.417410      7.420515      0.832590
  C      -5.939183      7.640865      2.108660
  C      -6.784727      7.461056      3.233460
  C      -6.192531      2.192852      6.361304
  C      -6.851715      2.915337      7.545119
  C      -8.270425      2.373871      7.827732
  C      -9.271629      2.810180      6.794699
  N      -9.406577      2.039341      5.720239
  C     -10.284722      2.444377      4.763921
  N     -11.066453      3.504900      4.782326
  C     -10.958829      4.306664      5.883829
  C     -11.780511      5.456901      5.979113
  C     -11.689139      6.283880      7.078869
  C     -10.769956      6.001580      8.117649
  C      -9.956031      4.888939      8.048628
  C     -10.037533      4.010726      6.937822
  H      -3.877221      0.974477      1.461580
  H      -5.263977      1.981451      1.910110
  H      -5.667793      0.581210      3.924520
  H      -4.293437     -0.452526      3.505614
  H      -6.505073     -1.442214      2.826804
  H      -6.816768     -0.036942      1.784562
  H      -5.010211     -0.920019     -2.178317
  H      -2.364836     -4.375382     -0.709221
  H      -1.972839     -5.460641      1.508592
  H      -3.170786     -4.637676      3.531457
  H      -4.735313     -2.734403      3.371279
  H      -5.457488      5.608146      6.366001
  H      -4.016524      5.717069      7.385377
  H      -3.494699      7.962530      6.510839
  H      -5.158470      7.895605      7.114176
  H      -4.931880      9.149360      4.940320
  H      -4.278733      7.695456      4.181513
  H      -9.196983      6.987812      6.107870
  H      -9.646404      6.539374      1.571110
  H      -8.117222      6.839355     -0.386847
  H      -5.759317      7.559283     -0.026924
  H      -4.908014      7.965394      2.252064
  H      -6.161101      1.107798      6.601763
  H      -6.834559      2.297836      5.478446
  H      -6.241892      2.784955      8.453438
  H      -6.889964      3.996416      7.335780
  H      -8.239731      1.273724      7.817739
  H      -8.596003      2.686721      8.829298
  H     -10.347195      1.798858      3.882296
  H     -12.468260      5.663083      5.158397
  H     -12.320723      7.171339      7.147665
  H     -10.702249      6.673647      8.974504
  H      -9.245096      4.687327      8.850125
  N      -3.627734      4.990276      2.497041
  H      -2.990017      5.766405      2.690754
  H      -4.486455      5.403761      2.121314
  H      -3.217810      4.415671      1.757407
  N      -6.039137      3.862863      3.666732
  N      -7.098340      3.963888      3.215058
101
Coordinates from ORCA-job orca E -6314.515809625961
  N      -3.617954      2.179496      3.140475
  Mo     -4.278975      3.622520      4.388930
  N      -4.872727      2.646188      6.005666
  C      -3.858545      2.270849      6.989534
  C      -2.561445      1.954553      6.259413
  N      -2.262977      3.047771      5.294499
  C      -1.443433      2.577515      4.154939
  C      -2.275415      1.649762      3.277431
  C      -1.659899      4.222853      5.981903
  C      -2.246954      5.500016      5.377299
  N      -3.690913      5.376314      5.298407
  H      -1.774625      1.545805      2.292398
  H      -2.278820      0.625722      3.711335
  H      -1.149896      3.471942      3.586005
  H      -0.520544      2.076502      4.504513
  H      -1.930707      6.372013      5.978742
  H      -1.813349      5.651393      4.370584
  H      -1.940812      4.172960      7.043201
  H      -0.556996      4.180551      5.924058
  H      -4.168182      1.377428      7.564363
  H      -3.692632      3.075260      7.733930
  H      -2.699886      1.029903      5.684801
  H      -1.713545      1.810119      6.953649
  C      -4.485614      1.360773      2.306859
  C      -5.100560      0.173434      3.063232
  C      -6.019486     -0.699924      2.185130
  C      -5.295370     -1.358174      1.045731
  N      -5.483939     -0.857974     -0.172418
  C      -4.783727     -1.417647     -1.194576
  N      -3.911074     -2.404376     -1.136790
  C      -3.711219     -2.949550      0.102107
  C      -2.799706     -4.025121      0.242512
  C      -2.592151     -4.600333      1.478942
  C      -3.287663     -4.130060      2.617405
  C      -4.177308     -3.080237      2.508754
  C      -4.404848     -2.460920      1.253260
  C      -4.428878      5.987508      6.391027
  C      -4.481401      7.524673      6.319046
  C      -4.964211      8.040738      4.962515
  C      -6.374574      7.644421      4.606554
  N      -7.233637      7.473753      5.605172
  C      -8.513464      7.144505      5.286899
  N      -9.023081      6.952825      4.087243
  C      -8.157634      7.105393      3.041374
  C      -8.632062      6.890522      1.724050
  C      -7.785459      7.047690      0.647907
  C      -6.438475      7.433723      0.845301
  C      -5.950645      7.647610      2.118854
  C      -6.792030      7.477566      3.248206
  C      -6.209623      2.187316      6.338923
  C      -6.860025      2.905088      7.530372
  C      -8.282727      2.373919      7.812614
  C      -9.282709      2.826781      6.785386
  N      -9.423382      2.068024      5.703100
  C     -10.299574      2.488428      4.751733
  N     -11.075019      3.553243      4.781743
  C     -10.962566      4.342255      5.891968
  C     -11.778474      5.495397      6.000565
  C     -11.682770      6.309327      7.109576
  C     -10.764567      6.010976      8.144703
  C      -9.955971      4.895364      8.062609
  C     -10.042106      4.029866      6.942040
  H      -3.916128      0.984554      1.432607
  H      -5.301715      1.981567      1.905472
  H      -5.685072      0.567843      3.908058
  H      -4.294563     -0.444393      3.489712
  H      -6.497032     -1.465156      2.816727
  H      -6.816494     -0.075270      1.756996
  H      -4.969232     -0.982514     -2.182050
  H      -2.282418     -4.378045     -0.650783
  H      -1.891539     -5.430770      1.582985
  H      -3.120075     -4.604103      3.585838
  H      -4.713182     -2.727971      3.390389
  H      -5.458279      5.603030      6.363305
  H      -4.016427      5.701371      7.382839
  H      -3.480489      7.944874      6.509831
  H      -5.142262      7.887896      7.119709
  H      -4.912254      9.144190      4.945571
  H      -4.277178      7.684504      4.183161
  H      -9.192585      7.026049      6.136062
  H      -9.673778      6.591487      1.601090
  H      -8.151955      6.873855     -0.365021
  H      -5.783253      7.564576     -0.017637
  H      -4.914683      7.959079      2.256547
  H      -6.186405      1.100024      6.570070
  H      -6.852439      2.304574      5.458229
  H      -6.248855      2.762003      8.435941
  H      -6.889654      3.988228      7.330285
  H      -8.261742      1.273604      7.794626
  H      -8.602976      2.682426      8.817149
  H     -10.366212      1.852756      3.863264
  H     -12.465486      5.714153      5.182498
  H     -12.310378      7.198654      7.188694
  H     -10.693618      6.672804      9.009257
  H      -9.245912      4.680861      8.861524
  N      -3.629733      4.995360      2.490610
  H      -2.992045      5.770817      2.687163
  H      -4.486886      5.409810      2.112363
  H      -3.218143      4.420869      1.751809
  N      -6.050656      3.877286      3.659456
  N      -7.110469      3.988402      3.211699
101
Coordinates from ORCA-job orca E -6314.515822079378
  N      -3.629021      2.180692      3.130261
  Mo     -4.283794      3.621647      4.385032
  N      -4.879121      2.638082      5.996529
  C      -3.865261      2.251066      6.976155
  C      -2.569036      1.938866      6.242382
  N      -2.269940      3.038228      5.284754
  C      -1.451800      2.575085      4.141124
  C      -2.285023      1.652114      3.259458
  C      -1.665031      4.207983      5.979559
  C      -2.247329      5.489893      5.380282
  N      -3.691572      5.370450      5.298829
  H      -1.787086      1.555721      2.272146
  H      -2.285395      0.625097      3.686101
  H      -1.159727      3.473183      3.577271
  H      -0.527990      2.072679      4.486313
  H      -1.929805      6.357760      5.986893
  H      -1.811204      5.645039      4.375190
  H      -1.948605      4.153300      7.039917
  H      -0.562094      4.162864      5.923779
  H      -4.176764      1.352135      7.541355
  H      -3.697575      3.046745      7.729560
  H      -2.709194      1.018620      5.661287
  H      -1.720810      1.788164      6.934924
  C      -4.500150      1.361121      2.301468
  C      -5.107073      0.170473      3.059445
  C      -6.018284     -0.711212      2.181335
  C      -5.285582     -1.369491      1.047629
  N      -5.472452     -0.875086     -0.173138
  C      -4.764455     -1.433675     -1.190417
  N      -3.884802     -2.413715     -1.125429
  C      -3.686207     -2.952915      0.116304
  C      -2.766907     -4.020826      0.264453
  C      -2.560222     -4.590135      1.503789
  C      -3.264703     -4.121704      2.637515
  C      -4.162101     -3.079340      2.521309
  C      -4.388661     -2.465695      1.262771
  C      -4.429778      5.984335      6.389730
  C      -4.477946      7.521616      6.316511
  C      -4.961078      8.037713      4.960169
  C      -6.374724      7.649636      4.608157
  N      -7.232091      7.484315      5.609068
  C      -8.514729      7.162819      5.294214
  N      -9.028470      6.973456      4.095965
  C      -8.164790      7.120049      3.047783
  C      -8.643473      6.906356      1.731771
  C      -7.798467      7.057475      0.653479
  C      -6.448914      7.436171      0.847231
  C      -5.956956      7.648674      2.119505
  C      -6.796666      7.484684      3.250970
  C      -6.217415      2.182135      6.328352
  C      -6.863962      2.896071      7.524000
  C      -8.289159      2.370671      7.804235
  C      -9.287255      2.834137      6.779966
  N      -9.430132      2.083728      5.692184
  C     -10.304764      2.513706      4.743714
  N     -11.077195      3.580465      4.781312
  C     -10.962423      4.361189      5.897162
  C     -11.774908      5.515918      6.013971
  C     -11.676331      6.322082      7.128389
  C     -10.758535      6.014090      8.161023
  C      -9.953574      4.896523      8.071090
  C     -10.042737      4.038634      6.944862
  H      -3.936638      0.988170      1.422008
  H      -5.320609      1.980803      1.907315
  H      -5.694579      0.560928      3.903945
  H      -4.296831     -0.441631      3.486040
  H      -6.494321     -1.476655      2.813849
  H      -6.817108     -0.092736      1.747710
  H      -4.949252     -1.003593     -2.180293
  H      -2.242907     -4.372771     -0.625320
  H      -1.853436     -5.414563      1.613805
  H      -3.097895     -4.591315      3.608239
  H      -4.704975     -2.728569      3.399287
  H      -5.460217      5.602567      6.361346
  H      -4.018921      5.697650      7.382059
  H      -3.475283      7.938663      6.505117
  H      -5.136177      7.887846      7.117963
  H      -4.902339      9.140804      4.940358
  H      -4.277798      7.675678      4.180145
  H      -9.192489      7.049082      6.145150
  H      -9.686989      6.612687      1.611215
  H      -8.168330      6.884331     -0.358391
  H      -5.794885      7.562359     -0.017361
  H      -4.918836      7.954129      2.254386
  H      -6.197873      1.093580      6.554037
  H      -6.860410      2.305860      5.448663
  H      -6.252793      2.745119      8.428331
  H      -6.888510      3.980509      7.330142
  H      -8.273992      1.270346      7.780948
  H      -8.607014      2.676000      8.810452
  H     -10.373090      1.884680      3.850618
  H     -12.461385      5.742220      5.197521
  H     -12.301429      7.212652      7.213667
  H     -10.685238      6.669828      9.030009
  H      -9.244090      4.674230      8.868385
  N      -3.628338      4.996751      2.489156
  H      -2.992385      5.773329      2.687050
  H      -4.484656      5.409545      2.107481
  H      -3.213693      4.421419      1.752726
  N      -6.055839      3.884643      3.659051
  N      -7.116371      3.999084      3.213993
101
Coordinates from ORCA-job orca E -6314.515831165170
  N      -3.633177      2.184158      3.122222
  Mo     -4.284551      3.622473      4.382768
  N      -4.882592      2.630081      5.987683
  C      -3.870099      2.233191      6.964883
  C      -2.572822      1.927177      6.230190
  N      -2.273749      3.032447      5.279403
  C      -1.455236      2.576496      4.132992
  C      -2.287952      1.657064      3.246883
  C      -1.669125      4.197764      5.981949
  C      -2.247172      5.483669      5.387026
  N      -3.691530      5.366867      5.301281
  H      -1.790919      1.566941      2.258462
  H      -2.286047      0.627612      3.667620
  H      -1.164959      3.478140      3.573900
  H      -0.530425      2.073861      4.475209
  H      -1.930070      6.347775      5.999096
  H      -1.807475      5.642822      4.384112
  H      -1.956948      4.138290      7.040907
  H      -0.566040      4.150847      5.929842
  H      -4.183003      1.328414      7.519952
  H      -3.703716      3.020709      7.727150
  H      -2.711270      1.010283      5.643541
  H      -1.725235      1.773181      6.922784
  C      -4.506006      1.362713      2.297529
  C      -5.109763      0.171950      3.058060
  C      -6.016974     -0.714516      2.180328
  C      -5.279240     -1.373842      1.050721
  N      -5.463550     -0.883011     -0.171905
  C      -4.750735     -1.441899     -1.185577
  N      -3.868143     -2.418940     -1.115354
  C      -3.671898     -2.954432      0.128350
  C      -2.749292     -4.018710      0.282146
  C      -2.544710     -4.584387      1.523528
  C      -3.254838     -4.115968      2.653777
  C      -4.155534     -3.077120      2.532074
  C      -4.379909     -2.467005      1.271366
  C      -4.432029      5.984117      6.388797
  C      -4.477759      7.521343      6.311977
  C      -4.961104      8.034735      4.954815
  C      -6.377045      7.651842      4.606505
  N      -7.232395      7.489758      5.609571
  C      -8.516664      7.171624      5.298001
  N      -9.033308      6.981103      4.101236
  C      -8.171791      7.124518      3.050858
  C      -8.653504      6.909163      1.736221
  C      -7.810689      7.057928      0.655839
  C      -6.460357      7.435517      0.845958
  C      -5.965252      7.648779      2.116978
  C      -6.802681      7.487252      3.250452
  C      -6.222160      2.175782      6.316742
  C      -6.866095      2.884760      7.516573
  C      -8.293871      2.364667      7.793361
  C      -9.289679      2.839302      6.772141
  N      -9.434923      2.097711      5.678651
  C     -10.308995      2.537051      4.733975
  N     -11.079259      3.605048      4.780364
  C     -10.961481      4.377285      5.901774
  C     -11.770961      5.533160      6.027766
  C     -11.668442      6.331710      7.147315
  C     -10.749554      6.014586      8.176196
  C      -9.948076      4.895338      8.077621
  C     -10.041400      4.044921      6.946050
  H      -3.945809      0.989697      1.416076
  H      -5.328537      1.981309      1.905795
  H      -5.699417      0.562074      3.901119
  H      -4.298490     -0.437579      3.486374
  H      -6.492738     -1.479529      2.813567
  H      -6.816243     -0.099250      1.743132
  H      -4.934084     -1.014947     -2.177121
  H      -2.221038     -4.370945     -0.604998
  H      -1.835190     -5.405895      1.637847
  H      -3.089706     -4.582800      3.626146
  H      -4.702911     -2.726399      3.407356
  H      -5.462983      5.603636      6.359066
  H      -4.023653      5.698637      7.382488
  H      -3.474030      7.936835      6.498389
  H      -5.134373      7.890930      7.113213
  H      -4.897303      9.137485      4.930408
  H      -4.280706      7.666637      4.175060
  H      -9.192762      7.060605      6.150629
  H      -9.697430      6.616066      1.617970
  H      -8.183109      6.883642     -0.354968
  H      -5.808192      7.560229     -0.020280
  H      -4.926390      7.952928      2.249154
  H      -6.205495      1.085919      6.536532
  H      -6.864990      2.305948      5.437815
  H      -6.255607      2.725443      8.419976
  H      -6.885635      3.970602      7.329799
  H      -8.284358      1.264400      7.763927
  H      -8.609875      2.665844      8.801387
  H     -10.378846      1.915397      3.835821
  H     -12.457976      5.766532      5.213766
  H     -12.291261      7.223273      7.239419
  H     -10.672843      6.664424      9.049308
  H      -9.238198      4.665735      8.872512
  N      -3.621869      5.000528      2.490160
  H      -2.988002      5.778133      2.690894
  H      -4.477213      5.411946      2.105048
  H      -3.203580      4.425102      1.755904
  N      -6.056509      3.891270      3.657952
  N      -7.117633      4.005570      3.214475
101
Coordinates from ORCA-job orca E -6314.515884804470
  N      -3.652052      2.216825      3.101599
  Mo     -4.284103      3.646406      4.383225
  N      -4.871141      2.637975      5.982104
  C      -3.851644      2.223152      6.944339
  C      -2.562061      1.923303      6.193570
  N      -2.268999      3.039185      5.253567
  C      -1.462554      2.594624      4.094190
  C      -2.305844      1.687037      3.205283
  C      -1.654883      4.193876      5.965463
  C      -2.230743      5.489300      5.389215
  N      -3.676177      5.378980      5.311123
  H      -1.819122      1.610255      2.210555
  H      -2.300415      0.651891      3.611509
  H      -1.175266      3.502079      3.543030
  H      -0.535647      2.086107      4.421844
  H      -1.906726      6.344574      6.009873
  H      -1.795940      5.658946      4.385827
  H      -1.937728      4.123155      7.025028
  H      -0.552273      4.142510      5.906891
  H      -4.163251      1.310373      7.486934
  H      -3.676271      2.997121      7.718532
  H      -2.708452      1.014137      5.596966
  H      -1.708532      1.758198      6.876321
  C      -4.534294      1.406288      2.276338
  C      -5.144841      0.215977      3.031476
  C      -6.040666     -0.671717      2.143312
  C      -5.283353     -1.348720      1.037262
  N      -5.429628     -0.865148     -0.193465
  C      -4.697562     -1.440571     -1.184021
  N      -3.830306     -2.428857     -1.083168
  C      -3.674493     -2.957705      0.169003
  C      -2.772785     -4.034847      0.354473
  C      -2.611771     -4.596108      1.604348
  C      -3.346158     -4.110153      2.711598
  C      -4.226763     -3.058236      2.558825
  C      -4.405688     -2.452310      1.289198
  C      -4.409835      5.996609      6.402868
  C      -4.458021      7.533560      6.324728
  C      -4.945757      8.042563      4.967647
  C      -6.358646      7.648352      4.619577
  N      -7.211896      7.475402      5.622620
  C      -8.492212      7.141525      5.310818
  N      -9.005939      6.943373      4.114026
  C      -8.146175      7.097367      3.063724
  C      -8.624539      6.874145      1.749083
  C      -7.783782      7.034179      0.668680
  C      -6.438769      7.430018      0.858820
  C      -5.946538      7.649675      2.129986
  C      -6.782097      7.478338      3.263416
  C      -6.208774      2.181629      6.316229
  C      -6.848597      2.889242      7.519254
  C      -8.272016      2.362733      7.806455
  C      -9.272889      2.814564      6.779824
  N      -9.404784      2.061347      5.692598
  C     -10.278993      2.482014      4.739830
  N     -11.062327      3.540747      4.772819
  C     -10.960574      4.323248      5.888596
  C     -11.786544      5.468668      6.001079
  C     -11.703006      6.276000      7.115799
  C     -10.786849      5.978714      8.152996
  C      -9.968487      4.870689      8.067137
  C     -10.041780      4.011356      6.940650
  H      -3.981490      1.034802      1.389533
  H      -5.354125      2.033447      1.892473
  H      -5.744228      0.605692      3.867676
  H      -4.338197     -0.393087      3.469187
  H      -6.536038     -1.426731      2.773739
  H      -6.825874     -0.055365      1.682925
  H      -4.849245     -1.018870     -2.183215
  H      -2.225960     -4.400786     -0.515723
  H      -1.918371     -5.427540      1.743162
  H      -3.215555     -4.573615      3.690770
  H      -4.793655     -2.694146      3.416037
  H      -5.440817      5.615671      6.378942
  H      -3.995665      5.711808      7.394372
  H      -3.454574      7.951313      6.507601
  H      -5.113318      7.902950      7.127131
  H      -4.889045      9.145676      4.941082
  H      -4.263139      7.677578      4.188437
  H      -9.166885      7.020486      6.163315
  H      -9.664254      6.566557      1.630692
  H      -8.153678      6.854346     -0.342174
  H      -5.788310      7.563379     -0.007451
  H      -4.911634      7.967068      2.262068
  H      -6.189810      1.091512      6.534217
  H      -6.855513      2.311927      5.440255
  H      -6.231455      2.735584      8.419177
  H      -6.875222      3.974472      7.329528
  H      -8.253957      1.262235      7.791611
  H      -8.588321      2.675003      8.810978
  H     -10.336957      1.851730      3.846834
  H     -12.471715      5.686492      5.181260
  H     -12.339450      7.158769      7.197984
  H     -10.725692      6.634881      9.022646
  H      -9.261653      4.655884      8.868829
  N      -3.627615      5.036744      2.496208
  H      -2.993803      5.813993      2.698075
  H      -4.484596      5.448648      2.115618
  H      -3.211710      4.464083      1.758439
  N      -6.062158      3.932030      3.679377
  N      -7.127524      4.054945      3.248707
101
Coordinates from ORCA-job orca E -6314.515914104119
  N      -3.669812      2.231449      3.083947
  Mo     -4.295546      3.646591      4.385767
  N      -4.853595      2.619086      5.982765
  C      -3.819179      2.201210      6.927582
  C      -2.536571      1.920882      6.157506
  N      -2.266494      3.048612      5.224695
  C      -1.470885      2.621668      4.051177
  C      -2.317389      1.713287      3.165410
  C      -1.655007      4.201574      5.941744
  C      -2.246540      5.498480      5.384791
  N      -3.691838      5.376803      5.317739
  H      -1.842596      1.651362      2.163835
  H      -2.296804      0.674148      3.560859
  H      -1.199054      3.536333      3.504106
  H      -0.535084      2.119171      4.362671
  H      -1.924772      6.349202      6.012732
  H      -1.821176      5.683578      4.380015
  H      -1.928681      4.117490      7.002685
  H      -0.552530      4.159451      5.873374
  H      -4.117227      1.279173      7.462013
  H      -3.640945      2.966598      7.709661
  H      -2.681534      1.015861      5.554303
  H      -1.672896      1.757650      6.827915
  C      -4.554255      1.426213      2.256321
  C      -5.171785      0.237019      3.006378
  C      -6.054396     -0.652292      2.106819
  C      -5.275980     -1.347753      1.027256
  N      -5.376421     -0.868983     -0.210018
  C      -4.623129     -1.461410     -1.174409
  N      -3.776957     -2.464370     -1.041223
  C      -3.669660     -2.988914      0.217739
  C      -2.795550     -4.082568      0.436262
  C      -2.685941     -4.641053      1.693087
  C      -3.445219     -4.134972      2.774462
  C      -4.299081     -3.066301      2.589276
  C      -4.425418     -2.463962      1.312122
  C      -4.423820      5.984905      6.415996
  C      -4.480031      7.522730      6.352854
  C      -4.964710      8.048884      5.000949
  C      -6.372570      7.652509      4.634734
  N      -7.230784      7.444009      5.626860
  C      -8.506632      7.109518      5.296790
  N      -9.011000      6.941990      4.091343
  C      -8.146499      7.135542      3.051630
  C      -8.614880      6.948657      1.727570
  C      -7.770533      7.153835      0.657616
  C      -6.431355      7.558676      0.868175
  C      -5.948047      7.740873      2.148876
  C      -6.787399      7.522705      3.271439
  C      -6.185026      2.156706      6.332438
  C      -6.815646      2.871551      7.536200
  C      -8.236215      2.347577      7.841635
  C      -9.240162      2.772382      6.806419
  N      -9.369264      1.994141      5.736536
  C     -10.236678      2.395148      4.769467
  N     -11.014733      3.458070      4.771837
  C     -10.917470      4.265426      5.870098
  C     -11.737787      5.417515      5.948866
  C     -11.660654      6.249004      7.046063
  C     -10.756662      5.969740      8.098796
  C      -9.942326      4.856742      8.044893
  C     -10.008424      3.973426      6.936569
  H      -4.003686      1.056104      1.367667
  H      -5.371971      2.057963      1.874761
  H      -5.783525      0.626942      3.833339
  H      -4.370852     -0.370501      3.456898
  H      -6.571023     -1.396412      2.733255
  H      -6.823603     -0.034911      1.621593
  H      -4.736330     -1.042292     -2.179884
  H      -2.229066     -4.463564     -0.414698
  H      -2.013881     -5.485250      1.857459
  H      -3.354725     -4.595922      3.759283
  H      -4.885682     -2.686471      3.426185
  H      -5.452980      5.598985      6.393347
  H      -4.004380      5.694503      7.403608
  H      -3.479150      7.943006      6.543906
  H      -5.138904      7.879807      7.157939
  H      -4.914433      9.152636      4.992448
  H      -4.274812      7.701497      4.220261
  H      -9.185724      6.956534      6.140800
  H      -9.649971      6.632424      1.593093
  H      -8.133012      7.002854     -0.360762
  H      -5.778231      7.728846      0.010347
  H      -4.917647      8.065776      2.297062
  H      -6.159025      1.068076      6.556208
  H      -6.840769      2.278939      5.462100
  H      -6.189690      2.727762      8.431725
  H      -6.846421      3.954975      7.336392
  H      -8.215428      1.247005      7.852842
  H      -8.549557      2.683571      8.839344
  H     -10.292039      1.744149      3.891161
  H     -12.414543      5.620109      5.118219
  H     -12.293745      7.136050      7.102921
  H     -10.701065      6.643986      8.954960
  H      -9.244495      4.656074      8.858041
  N      -3.668366      5.052035      2.498827
  H      -3.041879      5.835585      2.698409
  H      -4.532737      5.455171      2.125776
  H      -3.251966      4.485545      1.756583
  N      -6.085823      3.922752      3.708933
  N      -7.158777      4.036605      3.295384
101
Coordinates from ORCA-job orca E -6314.515851143407
  N      -3.666037      2.240548      3.076198
  Mo     -4.295880      3.650408      4.381812
  N      -4.848340      2.616194      5.976763
  C      -3.811800      2.203102      6.921521
  C      -2.527679      1.929646      6.151806
  N      -2.264100      3.058730      5.218530
  C      -1.468343      2.634646      4.043983
  C      -2.313241      1.724108      3.158946
  C      -1.656266      4.213562      5.935963
  C      -2.253282      5.508914      5.381570
  N      -3.698040      5.381367      5.315333
  H      -1.837587      1.661432      2.157849
  H      -2.291790      0.685327      3.555981
  H      -1.200007      3.550109      3.496563
  H      -0.530762      2.134835      4.354431
  H      -1.934474      6.359845      6.010784
  H      -1.829493      5.697113      4.376677
  H      -1.928563      4.127189      6.997064
  H      -0.553738      4.175636      5.866346
  H      -4.105200      1.279585      7.455964
  H      -3.638189      2.969931      7.703089
  H      -2.666741      1.023049      5.549554
  H      -1.663076      1.772703      6.822384
  C      -4.548721      1.435997      2.246248
  C      -5.177421      0.254285      2.998677
  C      -6.063751     -0.632215      2.099971
  C      -5.286125     -1.340337      1.028372
  N      -5.375502     -0.867546     -0.212039
  C      -4.622919     -1.472597     -1.169104
  N      -3.787176     -2.482826     -1.025989
  C      -3.690401     -3.000522      0.236585
  C      -2.826545     -4.100044      0.466048
  C      -2.724983     -4.649313      1.727559
  C      -3.481292     -4.127041      2.803299
  C      -4.325337     -3.052493      2.607550
  C      -4.445162     -2.460964      1.324623
  C      -4.433450      5.988302      6.411723
  C      -4.486556      7.526394      6.351820
  C      -4.951324      8.058777      4.995355
  C      -6.352576      7.663481      4.604393
  N      -7.224912      7.442423      5.581186
  C      -8.495622      7.111466      5.228304
  N      -8.982629      6.959858      4.013732
  C      -8.103413      7.167355      2.989274
  C      -8.552592      6.998234      1.656254
  C      -7.693153      7.218426      0.601343
  C      -6.357370      7.621094      0.836456
  C      -5.892496      7.785853      2.126332
  C      -6.747671      7.551532      3.233639
  C      -6.177555      2.147441      6.327144
  C      -6.809223      2.858017      7.532973
  C      -8.223114      2.322031      7.849770
  C      -9.241998      2.739647      6.826061
  N      -9.379671      1.959829      5.758272
  C     -10.267896      2.350549      4.805863
  N     -11.058650      3.404109      4.821881
  C     -10.954116      4.211275      5.919617
  C     -11.790266      5.350756      6.015026
  C     -11.708109      6.180131      7.113524
  C     -10.782991      5.911548      8.150580
  C      -9.952623      4.811410      8.079833
  C     -10.023811      3.930154      6.970405
  H      -3.993895      1.058734      1.363654
  H      -5.361069      2.069506      1.855382
  H      -5.790457      0.652396      3.820850
  H      -4.383279     -0.356835      3.456598
  H      -6.588951     -1.368389      2.728266
  H      -6.825537     -0.010599      1.608371
  H      -4.726880     -1.057870     -2.177299
  H      -2.260990     -4.492484     -0.380287
  H      -2.060852     -5.498105      1.900252
  H      -3.396279     -4.580191      3.792254
  H      -4.908745     -2.659424      3.440609
  H      -5.462953      5.603907      6.383648
  H      -4.018835      5.695320      7.400590
  H      -3.487642      7.944566      6.557384
  H      -5.155181      7.881945      7.149588
  H      -4.901777      9.162596      4.993847
  H      -4.249328      7.716597      4.223064
  H      -9.186763      6.948383      6.060315
  H      -9.585493      6.683600      1.502574
  H      -8.041130      7.081682     -0.424030
  H      -5.692508      7.804259     -0.009539
  H      -4.864573      8.109173      2.293816
  H      -6.145414      1.058981      6.550214
  H      -6.835405      2.266500      5.458040
  H      -6.176864      2.719754      8.424787
  H      -6.850050      3.941103      7.333125
  H      -8.193079      1.221674      7.860245
  H      -8.529188      2.654768      8.850820
  H     -10.329827      1.699320      3.928111
  H     -12.483429      5.545287      5.196054
  H     -12.353061      7.057750      7.183095
  H     -10.723546      6.584099      9.007785
  H      -9.238870      4.618981      8.881097
  N      -3.675020      5.061414      2.496479
  H      -3.049593      5.845267      2.698151
  H      -4.540608      5.464711      2.126113
  H      -3.258682      4.498241      1.751759
  N      -6.088541      3.919135      3.707831
  N      -7.163121      4.025320      3.296463
101
Coordinates from ORCA-job orca E -6314.515949642077
  N      -3.663154      2.244204      3.070205
  Mo     -4.295647      3.650304      4.377957
  N      -4.858756      2.612602      5.966978
  C      -3.827949      2.195220      6.915981
  C      -2.540879      1.919563      6.151863
  N      -2.268815      3.050027      5.222330
  C      -1.469119      2.626587      4.050224
  C      -2.312948      1.722528      3.157997
  C      -1.659676      4.201843      5.943832
  C      -2.251795      5.499961      5.390374
  N      -3.696352      5.375703      5.321416
  H      -1.832571      1.660299      2.159180
  H      -2.297808      0.682704      3.552865
  H      -1.194544      3.542725      3.507134
  H      -0.535072      2.122013      4.363480
  H      -1.931939      6.348925      6.021749
  H      -1.825830      5.688494      4.386396
  H      -1.934064      4.114382      7.004321
  H      -0.557156      4.161145      5.876308
  H      -4.126234      1.272200      7.448628
  H      -3.655687      2.961176      7.698646
  H      -2.680175      1.014894      5.546760
  H      -1.679926      1.758303      6.826004
  C      -4.545451      1.441985      2.237323
  C      -5.171658      0.257629      2.988331
  C      -6.056568     -0.632020      2.091068
  C      -5.278012     -1.338810      1.019369
  N      -5.376679     -0.872016     -0.222500
  C      -4.625168     -1.476499     -1.180675
  N      -3.780970     -2.479403     -1.037677
  C      -3.672864     -2.990153      0.226830
  C      -2.796976     -4.079934      0.456975
  C      -2.680375     -4.619613      1.721165
  C      -3.433020     -4.097279      2.799260
  C      -4.289366     -3.032641      2.602985
  C      -4.425729     -2.451160      1.316689
  C      -4.431928      5.978577      6.419565
  C      -4.491752      7.515927      6.356738
  C      -4.966210      8.038925      5.000114
  C      -6.368083      7.634081      4.621786
  N      -7.234331      7.425603      5.606563
  C      -8.506896      7.089059      5.266085
  N      -9.001740      6.921960      4.056844
  C      -8.128059      7.112975      3.024433
  C      -8.585315      6.924583      1.696873
  C      -7.730965      7.124816      0.633851
  C      -6.392697      7.527460      0.855003
  C      -5.920494      7.712753      2.139320
  C      -6.770400      7.499423      3.255003
  C      -6.191994      2.150096      6.310630
  C      -6.823497      2.858567      7.517481
  C      -8.243206      2.333132      7.825471
  C      -9.255731      2.772756      6.804561
  N      -9.406494      2.001799      5.732065
  C     -10.290603      2.411590      4.783683
  N     -11.063966      3.478082      4.806958
  C     -10.944930      4.277100      5.909290
  C     -11.761710      5.430020      6.012491
  C     -11.663495      6.251873      7.115429
  C     -10.741424      5.961772      8.149394
  C      -9.930352      4.847767      8.071346
  C     -10.018385      3.974346      6.957157
  H      -3.989575      1.066879      1.354673
  H      -5.358215      2.075462      1.847266
  H      -5.784386      0.653217      3.812103
  H      -4.374887     -0.351149      3.444644
  H      -6.578583     -1.368994      2.720731
  H      -6.820746     -0.012831      1.599797
  H      -4.736951     -1.067002     -2.190040
  H      -2.233499     -4.472070     -0.390857
  H      -2.006969     -5.460964      1.894308
  H      -3.335805     -4.542865      3.790556
  H      -4.868912     -2.639165      3.438466
  H      -5.459932      5.590441      6.393295
  H      -4.014131      5.687997      7.407889
  H      -3.493955      7.939807      6.556080
  H      -5.158882      7.870554      7.156212
  H      -4.922187      9.142922      4.991888
  H      -4.267467      7.695436      4.225220
  H      -9.193750      6.941774      6.104255
  H      -9.620378      6.611714      1.554138
  H      -8.085080      6.973070     -0.387135
  H      -5.732020      7.694757      0.002469
  H      -4.890640      8.035178      2.295893
  H      -6.167210      1.060500      6.528686
  H      -6.845880      2.277192      5.439716
  H      -6.196428      2.708761      8.411068
  H      -6.853858      3.943146      7.324641
  H      -8.224639      1.232553      7.825225
  H      -8.547665      2.659458      8.829108
  H     -10.365106      1.765832      3.902885
  H     -12.452496      5.641215      5.195607
  H     -12.292510      7.140629      7.190564
  H     -10.668937      6.628678      9.009919
  H      -9.217813      4.639371      8.869682
  N      -3.662335      5.068376      2.502182
  H      -3.032530      5.847205      2.709917
  H      -4.524162      5.479495      2.131621
  H      -3.247209      4.507388      1.755167
  N      -6.083950      3.927722      3.696377
  N      -7.155898      4.040903      3.279628
101
Coordinates from ORCA-job orca E -6314.515941249976
  N      -3.667437      2.246397      3.058790
  Mo     -4.287535      3.654523      4.370786
  N      -4.853590      2.616335      5.958329
  C      -3.823539      2.189310      6.903568
  C      -2.539797      1.908828      6.135255
  N      -2.263155      3.040137      5.208329
  C      -1.468453      2.615920      4.033108
  C      -2.318928      1.718972      3.139956
  C      -1.645467      4.186237      5.931322
  C      -2.229673      5.489225      5.380862
  N      -3.675147      5.374590      5.314863
  H      -1.842045      1.658876      2.139327
  H      -2.306800      0.677564      3.530424
  H      -1.190364      3.532400      3.492387
  H      -0.536232      2.105676      4.342604
  H      -1.903108      6.334675      6.013424
  H      -1.803844      5.676697      4.376658
  H      -1.919294      4.098600      6.991942
  H      -0.543290      4.138210      5.862328
  H      -4.126283      1.265373      7.432138
  H      -3.645185      2.950084      7.690096
  H      -2.686126      1.007074      5.527495
  H      -1.678191      1.739968      6.806739
  C      -4.556346      1.447438      2.229673
  C      -5.180075      0.262936      2.982495
  C      -6.058247     -0.633864      2.085468
  C      -5.271570     -1.347267      1.024141
  N      -5.360753     -0.888257     -0.221365
  C      -4.602401     -1.499022     -1.170155
  N      -3.760721     -2.502197     -1.014811
  C      -3.662616     -3.005305      0.253588
  C      -2.790812     -4.095628      0.496454
  C      -2.686147     -4.629518      1.764157
  C      -3.448359     -4.101658      2.832801
  C      -4.301569     -3.036924      2.623850
  C      -4.423825     -2.459639      1.334277
  C      -4.402231      5.981400      6.416646
  C      -4.452959      7.519562      6.356915
  C      -4.944315      8.048789      5.008866
  C      -6.356898      7.658850      4.655762
  N      -7.205659      7.456167      5.656839
  C      -8.487795      7.132557      5.340873
  N      -9.007233      6.970390      4.141342
  C      -8.151820      7.154348      3.092378
  C      -8.635916      6.969669      1.773817
  C      -7.800557      7.163115      0.694567
  C      -6.455261      7.555351      0.889991
  C      -5.957093      7.736797      2.165041
  C      -6.786860      7.529644      3.296856
  C      -6.188130      2.156711      6.300881
  C      -6.821464      2.868802      7.504478
  C      -8.239522      2.339978      7.813318
  C      -9.250159      2.762712      6.783617
  N      -9.386866      1.981949      5.716458
  C     -10.266655      2.377128      4.758060
  N     -11.048763      3.437278      4.766610
  C     -10.943962      4.246604      5.862791
  C     -11.770394      5.393919      5.949804
  C     -11.686994      6.225950      7.046291
  C     -10.770035      5.952529      8.089305
  C      -9.949543      4.844430      8.026968
  C     -10.022454      3.960336      6.919905
  H      -4.006654      1.072533      1.342902
  H      -5.369898      2.083260      1.845537
  H      -5.795595      0.657687      3.804455
  H      -4.381276     -0.341144      3.441172
  H      -6.584382     -1.366910      2.716625
  H      -6.819346     -0.018927      1.584394
  H      -4.706393     -1.095809     -2.182957
  H      -2.220787     -4.492826     -0.344637
  H      -2.015714     -5.471165      1.947220
  H      -3.361295     -4.543253      3.826794
  H      -4.889464     -2.640082      3.451863
  H      -5.432713      5.599376      6.396547
  H      -3.979896      5.687468      7.402060
  H      -3.449695      7.936473      6.543008
  H      -5.106301      7.877201      7.166326
  H      -4.889840      9.152346      5.001090
  H      -4.262145      7.699810      4.221936
  H      -9.158609      6.986787      6.192278
  H      -9.675884      6.664770      1.650935
  H      -8.175264      7.013829     -0.319491
  H      -5.809532      7.716952      0.025013
  H      -4.921924      8.051125      2.301716
  H      -6.164927      1.067533      6.521620
  H      -6.840256      2.282170      5.428222
  H      -6.194468      2.724890      8.399234
  H      -6.855088      3.952329      7.306410
  H      -8.215286      1.239611      7.824321
  H      -8.549177      2.675057      8.812467
  H     -10.330454      1.722821      3.882818
  H     -12.456888      5.592429      5.126161
  H     -12.323999      7.109862      7.109273
  H     -10.709390      6.627373      8.944566
  H      -9.241480      4.648574      8.832385
  N      -3.645614      5.068135      2.494044
  H      -3.013106      5.845063      2.700641
  H      -4.504972      5.481643      2.120488
  H      -3.231356      4.503294      1.749401
  N      -6.075643      3.945234      3.694305
  N      -7.147992      4.066271      3.280926
101
Coordinates from ORCA-job orca E -6314.515967762248
  N      -3.673669      2.250854      3.055803
  Mo     -4.298620      3.652733      4.372380
  N      -4.855603      2.608770      5.959535
  C      -3.821185      2.184428      6.901274
  C      -2.537982      1.911574      6.129705
  N      -2.269340      3.046552      5.204893
  C      -1.474864      2.628625      4.027335
  C      -2.322854      1.729052      3.134368
  C      -1.656553      4.193916      5.930096
  C      -2.247957      5.495465      5.383922
  N      -3.693040      5.374124      5.318302
  H      -1.846988      1.672268      2.133074
  H      -2.305860      0.687120      3.523504
  H      -1.202391      3.547455      3.487707
  H      -0.539593      2.122278      4.333982
  H      -1.925064      6.340862      6.018444
  H      -1.823756      5.687747      4.379995
  H      -1.928751      4.101976      6.990771
  H      -0.554228      4.151598      5.859727
  H      -4.118450      1.258484      7.429398
  H      -3.644358      2.945207      7.688109
  H      -2.680646      1.010139      5.520559
  H      -1.674085      1.746216      6.799088
  C      -4.559687      1.452120      2.223187
  C      -5.185434      0.266600      2.972394
  C      -6.058489     -0.630284      2.070515
  C      -5.265488     -1.345209      1.014898
  N      -5.343616     -0.885698     -0.231186
  C      -4.579339     -1.498309     -1.174098
  N      -3.742481     -2.504554     -1.012355
  C      -3.656024     -3.008291      0.256662
  C      -2.790803     -4.102424      0.505890
  C      -2.698668     -4.637443      1.774087
  C      -3.467096     -4.106760      2.836890
  C      -4.314029     -3.038258      2.621692
  C      -4.423457     -2.459971      1.331520
  C      -4.424036      5.977228      6.419524
  C      -4.479683      7.515382      6.362622
  C      -4.959279      8.047191      5.011191
  C      -6.364482      7.649289      4.637601
  N      -7.224801      7.432198      5.625781
  C      -8.499940      7.100423      5.290197
  N      -9.002002      6.943150      4.082582
  C      -8.134417      7.142729      3.046569
  C      -8.599496      6.964890      1.720239
  C      -7.751681      7.174202      0.653766
  C      -6.412321      7.575522      0.870245
  C      -5.932549      7.750541      2.153214
  C      -6.775445      7.527354      3.272183
  C      -6.188155      2.148031      6.307984
  C      -6.814832      2.858330      7.516209
  C      -8.232388      2.331480      7.830316
  C      -9.246375      2.759934      6.806416
  N      -9.387493      1.984498      5.735919
  C     -10.267140      2.387436      4.780652
  N     -11.044425      3.451082      4.794701
  C     -10.935086      4.254909      5.894462
  C     -11.756164      5.405564      5.987330
  C     -11.669239      6.231375      7.088200
  C     -10.753720      5.948244      8.129876
  C      -9.937437      4.837397      8.061335
  C     -10.014199      3.959576      6.949599
  H      -4.006578      1.078397      1.338014
  H      -5.372386      2.087730      1.836804
  H      -5.805552      0.660305      3.791342
  H      -4.388267     -0.336519      3.435176
  H      -6.588888     -1.362636      2.698914
  H      -6.815899     -0.015153      1.564174
  H      -4.673830     -1.094270     -2.187534
  H      -2.215900     -4.501678     -0.330897
  H      -2.033380     -5.482084      1.962025
  H      -3.389782     -4.549125      3.831351
  H      -4.907022     -2.639467      3.445126
  H      -5.453265      5.592040      6.395858
  H      -4.003679      5.682923      7.405631
  H      -3.479819      7.935461      6.559505
  H      -5.141990      7.868460      7.166712
  H      -4.912184      9.151112      5.009254
  H      -4.265285      7.706819      4.230914
  H      -9.180513      6.941186      6.131460
  H      -9.635163      6.652408      1.581204
  H      -8.111682      7.030169     -0.366360
  H      -5.756590      7.749374      0.015232
  H      -4.901941      8.072352      2.306211
  H      -6.163707      1.058515      6.526656
  H      -6.844801      2.275187      5.438945
  H      -6.183905      2.711132      8.407669
  H      -6.847509      3.942373      7.320798
  H      -8.210489      1.231044      7.837811
  H      -8.536629      2.664440      8.831873
  H     -10.334692      1.737451      3.902464
  H     -12.442117      5.611229      5.164995
  H     -12.302471      7.117622      7.156041
  H     -10.690290      6.618111      8.988864
  H      -9.229990      4.634559      8.865570
  N      -3.668544      5.073291      2.497088
  H      -3.037976      5.851685      2.704028
  H      -4.530458      5.484981      2.127378
  H      -3.254701      4.512019      1.749520
  N      -6.089957      3.935055      3.700775
  N      -7.164102      4.050105      3.290381
101
Coordinates from ORCA-job orca E -6314.515973470469
  N      -3.674312      2.255907      3.044245
  Mo     -4.299134      3.653186      4.365875
  N      -4.857316      2.603462      5.948889
  C      -3.823695      2.175834      6.890013
  C      -2.539855      1.905420      6.118656
  N      -2.270567      3.043045      5.197154
  C      -1.475934      2.628268      4.018580
  C      -2.324269      1.732234      3.122465
  C      -1.657252      4.187973      5.925854
  C      -2.247634      5.491466      5.383258
  N      -3.692720      5.370952      5.317398
  H      -1.847576      1.677479      2.121453
  H      -2.308923      0.689191      3.508897
  H      -1.202723      3.548595      3.481907
  H      -0.541121      2.120310      4.323956
  H      -1.924319      6.334776      6.020330
  H      -1.823136      5.686207      4.379891
  H      -1.929782      4.093217      6.986184
  H      -0.554945      4.145119      5.855599
  H      -4.121506      1.248243      7.414938
  H      -3.647568      2.934185      7.679301
  H      -2.681714      1.005571      5.507019
  H      -1.676443      1.738547      6.788261
  C      -4.560463      1.460176      2.208893
  C      -5.191430      0.276341      2.956512
  C      -6.059132     -0.622544      2.051508
  C      -5.258319     -1.344746      1.006926
  N      -5.324565     -0.892525     -0.242488
  C      -4.552789     -1.511933     -1.174817
  N      -3.718276     -2.517794     -0.999496
  C      -3.643116     -3.013456      0.273412
  C      -2.779694     -4.105537      0.537397
  C      -2.697077     -4.630975      1.810230
  C      -3.473022     -4.091976      2.863337
  C      -4.318250     -3.025121      2.633814
  C      -4.419050     -2.457422      1.338182
  C      -4.423266      5.972273      6.419776
  C      -4.478438      7.510353      6.364435
  C      -4.958566      8.042917      5.013559
  C      -6.364523      7.646497      4.641355
  N      -7.224633      7.432900      5.630435
  C      -8.501009      7.104452      5.296312
  N      -9.005129      6.949525      4.089291
  C      -8.137794      7.145339      3.052352
  C      -8.604870      6.968724      1.726594
  C      -7.757083      7.173497      0.659193
  C      -6.415757      7.569135      0.874131
  C      -5.934128      7.743218      2.156530
  C      -6.777064      7.524687      3.276394
  C      -6.190587      2.143469      6.295835
  C      -6.815979      2.850822      7.506451
  C      -8.234049      2.325194      7.820895
  C      -9.249644      2.760461      6.801357
  N      -9.397743      1.988500      5.729237
  C     -10.281563      2.395993      4.779711
  N     -11.056326      3.461417      4.800782
  C     -10.940408      4.261227      5.902816
  C     -11.759295      5.412799      6.003802
  C     -11.665997      6.234328      7.107375
  C     -10.746212      5.945777      8.143792
  C      -9.932091      4.833861      8.067346
  C     -10.015252      3.960483      6.952627
  H      -4.005917      1.085060      1.325342
  H      -5.370331      2.098095      1.820174
  H      -5.816359      0.671819      3.770994
  H      -4.397206     -0.326029      3.425467
  H      -6.596369     -1.350516      2.678945
  H      -6.810649     -0.008036      1.535609
  H      -4.637690     -1.113940     -2.191448
  H      -2.198283     -4.510802     -0.291961
  H      -2.033136     -5.474071      2.009515
  H      -3.402747     -4.526493      3.861783
  H      -4.916431     -2.619462      3.450140
  H      -5.452573      5.587449      6.396013
  H      -4.002430      5.676701      7.405315
  H      -3.478313      7.929955      6.561049
  H      -5.140282      7.862952      7.169149
  H      -4.910470      9.146812      5.011837
  H      -4.265555      7.702225      4.232446
  H      -9.181952      6.951039      6.138301
  H      -9.642086      6.660869      1.588716
  H      -8.118690      7.030455     -0.360477
  H      -5.760078      7.739612      0.018397
  H      -4.901985      8.060611      2.308403
  H      -6.167573      1.053280      6.511170
  H      -6.847019      2.274079      5.427276
  H      -6.184539      2.699722      8.396844
  H      -6.847163      3.935565      7.314751
  H      -8.214332      1.224677      7.823883
  H      -8.535262      2.654676      8.824491
  H     -10.354378      1.749174      3.899581
  H     -12.448538      5.622749      5.185315
  H     -12.297290      7.121502      7.181337
  H     -10.677761      6.612296      9.004976
  H      -9.221211      4.626951      8.867511
  N      -3.667183      5.080031      2.495658
  H      -3.035728      5.856884      2.705816
  H      -4.528222      5.494310      2.126716
  H      -3.253495      4.520888      1.746435
  N      -6.090323      3.938516      3.695125
  N      -7.164588      4.054399      3.285241
101
Coordinates from ORCA-job orca E -6314.515984830551
  N      -3.678473      2.265410      3.025484
  Mo     -4.301132      3.655578      4.355845
  N      -4.857105      2.597914      5.934526
  C      -3.822441      2.165768      6.872344
  C      -2.539629      1.898636      6.098238
  N      -2.271463      3.040197      5.181210
  C      -1.478880      2.630156      3.999651
  C      -2.329323      1.739178      3.100578
  C      -1.656304      4.181528      5.913998
  C      -2.246536      5.487778      5.377912
  N      -3.691794      5.368423      5.314162
  H      -1.853303      1.687693      2.099089
  H      -2.315531      0.694452      3.482775
  H      -1.205685      3.552714      3.466813
  H      -0.544112      2.119889      4.301278
  H      -1.921605      6.328018      6.018183
  H      -1.823314      5.686382      4.374750
  H      -1.927334      4.082391      6.974300
  H      -0.554133      4.138160      5.841882
  H      -4.119837      1.235999      7.393632
  H      -3.645216      2.920811      7.664538
  H      -2.681917      1.001235      5.483117
  H      -1.675376      1.729250      6.766105
  C      -4.565560      1.475736      2.185188
  C      -5.204984      0.293862      2.928644
  C      -6.060734     -0.609090      2.016341
  C      -5.244039     -1.344005      0.993183
  N      -5.284237     -0.902989     -0.261311
  C      -4.497865     -1.534791     -1.173004
  N      -3.672018     -2.543071     -0.972587
  C      -3.623124     -3.026961      0.306136
  C      -2.769942     -4.120358      0.596629
  C      -2.713165     -4.633507      1.875861
  C      -3.505596     -4.080402      2.909198
  C      -4.341503     -3.012122      2.653701
  C      -4.416073     -2.457059      1.350825
  C      -4.419529      5.966369      6.420175
  C      -4.474390      7.504645      6.370285
  C      -4.957743      8.042156      5.022560
  C      -6.364161      7.645844      4.652057
  N      -7.221481      7.427309      5.642475
  C      -8.498516      7.099352      5.310428
  N      -9.005891      6.949539      4.104139
  C      -8.141382      7.150208      3.065747
  C      -8.611996      6.979086      1.740534
  C      -7.767139      7.188427      0.671700
  C      -6.425341      7.583545      0.884678
  C      -5.940361      7.752619      2.166473
  C      -6.780222      7.529282      3.287688
  C      -6.190384      2.138432      6.282236
  C      -6.812562      2.842474      7.496447
  C      -8.230016      2.316589      7.813373
  C      -9.248032      2.755406      6.797769
  N      -9.398756      1.986947      5.723476
  C     -10.284165      2.398095      4.777023
  N     -11.057742      3.464269      4.802718
  C     -10.939570      4.260167      5.907343
  C     -11.757605      5.411869      6.013614
  C     -11.662857      6.228886      7.120407
  C     -10.742258      5.935680      8.154789
  C      -9.928556      4.823820      8.072997
  C     -10.013186      3.954996      6.954825
  H      -4.009097      1.099317      1.303475
  H      -5.370747      2.118134      1.794016
  H      -5.839654      0.691200      3.734664
  H      -4.415637     -0.306011      3.408912
  H      -6.611659     -1.329455      2.640532
  H      -6.800314      0.003906      1.481683
  H      -4.561144     -1.145714     -2.194641
  H      -2.175327     -4.536348     -0.217921
  H      -2.057035     -5.477641      2.095573
  H      -3.455512     -4.505142      3.913055
  H      -4.952256     -2.595518      3.455071
  H      -5.449026      5.582055      6.397761
  H      -3.996224      5.667574      7.403686
  H      -3.473821      7.923479      6.566257
  H      -5.134497      7.854350      7.177696
  H      -4.910976      9.146122      5.025434
  H      -4.266011      7.705860      4.238437
  H      -9.176940      6.941701      6.153651
  H      -9.649563      6.671672      1.604281
  H      -8.131432      7.049557     -0.347580
  H      -5.771968      7.757637      0.027913
  H      -4.907979      8.069898      2.316891
  H      -6.168289      1.047516      6.493851
  H      -6.848099      2.272730      5.415265
  H      -6.178890      2.688143      8.384695
  H      -6.843700      3.927803      7.308216
  H      -8.210769      1.216071      7.813281
  H      -8.528062      2.643630      8.818693
  H     -10.359668      1.753787      3.895273
  H     -12.447596      5.625499      5.196717
  H     -12.293565      7.116113      7.198601
  H     -10.672805      6.598555      9.018698
  H      -9.216954      4.613497      8.871613
  N      -3.670824      5.090563      2.491246
  H      -3.038093      5.865594      2.704332
  H      -4.531297      5.507792      2.124234
  H      -3.258190      4.534044      1.739481
  N      -6.093566      3.944755      3.690190
  N      -7.168855      4.061981      3.283344
101
Coordinates from ORCA-job orca E -6314.515995961827
  N      -3.685016      2.281534      2.992555
  Mo     -4.304133      3.659331      4.337749
  N      -4.857499      2.588362      5.908721
  C      -3.821696      2.148436      6.841438
  C      -2.540432      1.886019      6.063338
  N      -2.273062      3.033975      5.153905
  C      -1.483713      2.631510      3.967687
  C      -2.337906      1.749945      3.063099
  C      -1.654279      4.168877      5.893611
  C      -2.243532      5.480003      5.368455
  N      -3.689081      5.363250      5.308219
  H      -1.862400      1.703520      2.061149
  H      -2.327941      0.702415      3.438217
  H      -1.209524      3.557663      3.441640
  H      -0.549603      2.116552      4.263294
  H      -1.915498      6.314857      6.014126
  H      -1.822256      5.684869      4.365704
  H      -1.922801      4.062530      6.953828
  H      -0.552374      4.124111      5.818348
  H      -4.119034      1.215489      7.357041
  H      -3.642499      2.898320      7.638041
  H      -2.683626      0.992783      5.442404
  H      -1.675145      1.712083      6.728645
  C      -4.573655      1.502725      2.143353
  C      -5.227164      0.323975      2.879379
  C      -6.062088     -0.586612      1.955438
  C      -5.219225     -1.342868      0.969819
  N      -5.216310     -0.922680     -0.292399
  C      -4.406235     -1.575623     -1.167952
  N      -3.595230     -2.586418     -0.924704
  C      -3.589580     -3.048309      0.363078
  C      -2.753568     -4.141996      0.698833
  C      -2.738822     -4.631879      1.988280
  C      -3.557525     -4.054245      2.987131
  C      -4.377897     -2.985490      2.687238
  C      -4.409975     -2.454451      1.372607
  C      -4.411519      5.955308      6.420744
  C      -4.466276      7.493868      6.380291
  C      -4.956412      8.039656      5.038453
  C      -6.363103      7.641086      4.671630
  N      -7.214186      7.411544      5.664916
  C      -8.491899      7.081735      5.337488
  N      -9.005703      6.940169      4.132951
  C      -8.147438      7.151538      3.091451
  C      -8.625072      6.989540      1.767647
  C      -7.786670      7.208719      0.695716
  C      -6.444671      7.605588      0.904248
  C      -5.953128      7.766750      2.184518
  C      -6.786160      7.533032      3.308672
  C      -6.191326      2.131071      6.257476
  C      -6.807975      2.830269      7.477339
  C      -8.224629      2.304575      7.798403
  C      -9.246542      2.750481      6.789783
  N      -9.402021      1.988648      5.711405
  C     -10.289768      2.407021      4.770338
  N     -11.060719      3.474851      4.804408
  C     -10.938684      4.263197      5.914023
  C     -11.755118      5.415091      6.030128
  C     -11.658498      6.223005      7.143426
  C     -10.737075      5.920599      8.174423
  C      -9.923995      4.809025      8.082584
  C     -10.010665      3.949324      6.957537
  H      -4.013659      1.124252      1.264892
  H      -5.370670      2.152822      1.748048
  H      -5.878132      0.724212      3.670901
  H      -4.446012     -0.271090      3.378678
  H      -6.635646     -1.294024      2.573743
  H      -6.780828      0.022958      1.389272
  H      -4.433478     -1.203138     -2.197320
  H      -2.137734     -4.576545     -0.089842
  H      -2.095778     -5.476273      2.242896
  H      -3.540212     -4.460419      3.999737
  H      -5.008619     -2.549896      3.462621
  H      -5.441271      5.571685      6.401192
  H      -3.983433      5.651171      7.400546
  H      -3.465090      7.911909      6.574743
  H      -5.123235      7.838148      7.192606
  H      -4.913940      9.143766      5.049848
  H      -4.266706      7.712654      4.248702
  H      -9.164607      6.914264      6.183340
  H      -9.662797      6.680979      1.635133
  H      -8.156222      7.076649     -0.322541
  H      -5.796376      7.787389      0.045247
  H      -4.920930      8.086098      2.331605
  H      -6.171778      1.039011      6.463113
  H      -6.850718      2.271897      5.392928
  H      -6.170829      2.670242      8.362074
  H      -6.838402      3.916517      7.294728
  H      -8.206757      1.204082      7.792604
  H      -8.516978      2.627247      8.806772
  H     -10.370539      1.767213      3.885766
  H     -12.445957      5.636023      5.215910
  H     -12.288130      7.110267      7.229578
  H     -10.666413      6.576148      9.043797
  H      -9.211547      4.592006      8.878616
  N      -3.675089      5.108052      2.483441
  H      -3.039080      5.878936      2.701880
  H      -4.533889      5.531760      2.119730
  H      -3.264858      4.555900      1.727124
  N      -6.098236      3.956046      3.680209
  N      -7.175015      4.076349      3.278123
101
Coordinates from ORCA-job orca E -6314.515990241194
  N      -3.672256      2.276078      3.018290
  Mo     -4.298278      3.661155      4.351613
  N      -4.844124      2.602646      5.933267
  C      -3.804709      2.178475      6.869725
  C      -2.523374      1.914102      6.092537
  N      -2.262755      3.054712      5.172537
  C      -1.472229      2.644765      3.989466
  C      -2.322911      1.749972      3.094342
  C      -1.650156      4.199383      5.902151
  C      -2.248737      5.502522      5.367770
  N      -3.693890      5.376651      5.309440
  H      -1.848011      1.696125      2.092521
  H      -2.307817      0.706154      3.479188
  H      -1.203520      3.567001      3.453679
  H      -0.535124      2.137813      4.289460
  H      -1.925243      6.344825      6.006101
  H      -1.830320      5.702430      4.363031
  H      -1.916666      4.099466      6.963571
  H      -0.548058      4.161251      5.825969
  H      -4.096470      1.249286      7.395112
  H      -3.628155      2.937136      7.658626
  H      -2.663645      1.014516      5.479992
  H      -1.656593      1.749739      6.758431
  C      -4.557421      1.492845      2.170002
  C      -5.218431      0.318203      2.905545
  C      -6.065707     -0.576090      1.977253
  C      -5.235136     -1.324617      0.975178
  N      -5.231943     -0.880801     -0.278826
  C      -4.430860     -1.524384     -1.169177
  N      -3.630076     -2.548510     -0.947473
  C      -3.627309     -3.036124      0.330906
  C      -2.804753     -4.146941      0.643171
  C      -2.797321     -4.665351      1.921621
  C      -3.610754     -4.100810      2.932346
  C      -4.417578     -3.015643      2.655370
  C      -4.439964     -2.454319      1.353488
  C      -4.420149      5.966401      6.421072
  C      -4.482091      7.504775      6.380106
  C      -4.967382      8.049521      5.035688
  C      -6.369642      7.646078      4.656701
  N      -7.230065      7.412358      5.641147
  C      -8.502006      7.074259      5.299638
  N      -9.000701      6.926927      4.089274
  C      -8.132935      7.144389      3.057052
  C      -8.593300      6.975270      1.727793
  C      -7.744699      7.201825      0.665473
  C      -6.408920      7.611105      0.889087
  C      -5.933449      7.776916      2.174920
  C      -6.777339      7.536407      3.289547
  C      -6.173427      2.136391      6.286557
  C      -6.794151      2.840717      7.501334
  C      -8.206954      2.307232      7.825956
  C      -9.231743      2.732563      6.811614
  N      -9.381784      1.955491      5.743509
  C     -10.274921      2.352893      4.798558
  N     -11.056487      3.413145      4.820091
  C     -10.937496      4.219060      5.917222
  C     -11.761993      5.366599      6.017655
  C     -11.665010      6.195389      7.115401
  C     -10.735956      5.918204      8.146545
  C      -9.916361      4.810348      8.070595
  C     -10.002955      3.929322      6.961960
  H      -3.995576      1.111384      1.293972
  H      -5.352751      2.142631      1.770559
  H      -5.864344      0.722811      3.698746
  H      -4.443304     -0.287315      3.401322
  H      -6.641327     -1.287667      2.589158
  H      -6.783706      0.045460      1.423552
  H      -4.458614     -1.132089     -2.191286
  H      -2.194022     -4.572136     -0.154555
  H      -2.164763     -5.522932      2.157837
  H      -3.599994     -4.530060      3.935472
  H      -5.045148     -2.590044      3.438794
  H      -5.447971      5.577492      6.399941
  H      -3.992731      5.664020      7.401689
  H      -3.483215      7.926635      6.578139
  H      -5.142998      7.846711      7.190150
  H      -4.928296      9.153724      5.047479
  H      -4.271250      7.724213      4.250859
  H      -9.183175      6.901545      6.138090
  H      -9.625584      6.654489      1.583069
  H      -8.101111      7.064613     -0.356932
  H      -5.752364      7.797979      0.037443
  H      -4.905412      8.104405      2.333669
  H      -6.144985      1.045969      6.500525
  H      -6.835624      2.265969      5.422051
  H      -6.155550      2.694655      8.387551
  H      -6.833200      3.925160      7.308847
  H      -8.180307      1.206867      7.831436
  H      -8.503799      2.636926      8.830802
  H     -10.349102      1.702135      3.921511
  H     -12.458364      5.567880      5.203049
  H     -12.300737      7.079393      7.188799
  H     -10.664688      6.590205      9.003263
  H      -9.198798      4.611978      8.866954
  N      -3.686452      5.102091      2.486022
  H      -3.055338      5.878805      2.697490
  H      -4.550514      5.516896      2.124837
  H      -3.275867      4.548451      1.730999
  N      -6.094315      3.938871      3.691553
  N      -7.171657      4.048156      3.288174
101
Coordinates from ORCA-job orca E -6314.515998656620
  N      -3.671010      2.277258      3.012474
  Mo     -4.297272      3.660682      4.347510
  N      -4.849228      2.600305      5.926179
  C      -3.813137      2.172978      6.864619
  C      -2.530392      1.906552      6.090517
  N      -2.264672      3.047505      5.172089
  C      -1.472712      2.637005      3.990232
  C      -2.323921      1.746555      3.091539
  C      -1.650007      4.189968      5.903557
  C      -2.244044      5.495117      5.368875
  N      -3.689270      5.373096      5.308864
  H      -1.846068      1.691451      2.091203
  H      -2.314083      0.702449      3.476042
  H      -1.199862      3.559336      3.456742
  H      -0.537980      2.126412      4.291386
  H      -1.918959      6.336099      6.008128
  H      -1.823567      5.693987      4.364701
  H      -1.917984      4.090298      6.964588
  H      -0.547947      4.148763      5.828634
  H      -4.108197      1.244457      7.389382
  H      -3.636777      2.931503      7.653645
  H      -2.670769      1.007741      5.476907
  H      -1.665616      1.740137      6.758437
  C      -4.556564      1.496504      2.161892
  C      -5.217609      0.321160      2.896547
  C      -6.061720     -0.577060      1.969036
  C      -5.228356     -1.327578      0.970894
  N      -5.226691     -0.889921     -0.285250
  C      -4.425161     -1.536663     -1.172959
  N      -3.622221     -2.557930     -0.947024
  C      -3.616788     -3.038720      0.333927
  C      -2.790601     -4.145438      0.650887
  C      -2.778216     -4.655681      1.932481
  C      -3.589984     -4.086555      2.941844
  C      -4.400622     -3.005411      2.660331
  C      -4.428977     -2.452803      1.354641
  C      -4.414306      5.964808      6.420004
  C      -4.475503      7.503106      6.376641
  C      -4.965379      8.045011      5.032887
  C      -6.368511      7.638182      4.661223
  N      -7.222791      7.405338      5.651077
  C      -8.496619      7.066132      5.318117
  N      -9.002977      6.916557      4.111301
  C      -8.141345      7.131800      3.073432
  C      -8.610649      6.961700      1.747532
  C      -7.768818      7.185678      0.679328
  C      -6.431486      7.594935      0.893574
  C      -5.947708      7.763164      2.175952
  C      -6.784315      7.524724      3.296553
  C      -6.181021      2.138417      6.276441
  C      -6.801918      2.842140      7.491566
  C      -8.216174      2.311019      7.813891
  C      -9.239662      2.745051      6.801918
  N      -9.391050      1.975272      5.728690
  C     -10.281006      2.382553      4.784843
  N     -11.058170      3.446001      4.812004
  C     -10.938474      4.243802      5.915030
  C     -11.759184      5.393504      6.022190
  C     -11.663117      6.212493      7.127408
  C     -10.738209      5.923497      8.159103
  C      -9.921569      4.813879      8.076200
  C     -10.007646      3.942810      6.959817
  H      -3.993312      1.114832      1.286886
  H      -5.350506      2.147229      1.761378
  H      -5.864889      0.724805      3.689303
  H      -4.441113     -0.281578      3.393704
  H      -6.637293     -1.287228      2.582427
  H      -6.779270      0.042137      1.411937
  H      -4.453358     -1.148936     -2.196710
  H      -2.180630     -4.573732     -0.145757
  H      -2.142811     -5.510101      2.172425
  H      -3.574970     -4.509055      3.947784
  H      -5.026345     -2.576402      3.443345
  H      -5.442464      5.576883      6.400398
  H      -3.986018      5.664023      7.400737
  H      -3.476347      7.925662      6.571714
  H      -5.134879      7.846055      7.187548
  H      -4.928849      9.149323      5.043506
  H      -4.271581      7.720711      4.245672
  H      -9.171907      6.894178      6.161131
  H      -9.644524      6.642603      1.610333
  H      -8.131983      7.047412     -0.340461
  H      -5.780479      7.780202      0.037325
  H      -4.919009      8.091688      2.327437
  H      -6.156470      1.047661      6.488777
  H      -6.840762      2.271203      5.410687
  H      -6.164833      2.691649      8.378063
  H      -6.837968      3.927018      7.301765
  H      -8.192543      1.210622      7.813973
  H      -8.511646      2.637173      8.820289
  H     -10.358549      1.736287      3.904752
  H     -12.452469      5.604055      5.207284
  H     -12.295980      7.098098      7.206423
  H     -10.667653      6.587877      9.021767
  H      -9.206609      4.607068      8.872731
  N      -3.675616      5.101896      2.485790
  H      -3.040229      5.874377      2.700196
  H      -4.535877      5.522993      2.122757
  H      -3.266128      4.547594      1.730632
  N      -6.091172      3.944703      3.684439
  N      -7.167536      4.057405      3.279142
101
Coordinates from ORCA-job orca E -6314.516001975592
  N      -3.669440      2.282566      3.014499
  Mo     -4.296198      3.664258      4.350834
  N      -4.843469      2.602774      5.930371
  C      -3.805087      2.177246      6.867176
  C      -2.523112      1.913575      6.090876
  N      -2.261293      3.055112      5.172073
  C      -1.470496      2.646016      3.988862
  C      -2.321514      1.753676      3.091822
  C      -1.647936      4.198887      5.902717
  C      -2.245422      5.502915      5.369016
  N      -3.690488      5.378113      5.310866
  H      -1.845137      1.699236      2.090764
  H      -2.309319      0.709693      3.476498
  H      -1.200625      3.568770      3.454594
  H      -0.534143      2.137540      4.288539
  H      -1.921082      6.344640      6.007691
  H      -1.826865      5.702520      4.364166
  H      -1.914268      4.098526      6.964084
  H      -0.545899      4.159963      5.826303
  H      -4.097520      1.247766      7.391719
  H      -3.629060      2.935492      7.656553
  H      -2.662869      1.014570      5.477440
  H      -1.656846      1.748671      6.757253
  C      -4.554936      1.503614      2.162357
  C      -5.221415      0.330589      2.895833
  C      -6.067870     -0.563433      1.966377
  C      -5.235557     -1.318021      0.970435
  N      -5.225363     -0.878296     -0.284970
  C      -4.423551     -1.528358     -1.169996
  N      -3.627410     -2.554470     -0.941851
  C      -3.630837     -3.037278      0.338304
  C      -2.812358     -4.149051      0.657571
  C      -2.809146     -4.661333      1.938421
  C      -3.622389     -4.089053      2.944847
  C      -4.425388     -3.002791      2.661154
  C      -4.444588     -2.448426      1.356090
  C      -4.415856      5.968435      6.422476
  C      -4.479224      7.506623      6.379180
  C      -4.966226      8.047930      5.034119
  C      -6.367285      7.638569      4.657617
  N      -7.224518      7.403818      5.644434
  C      -8.496293      7.061387      5.306856
  N      -8.997836      6.909993      4.098293
  C      -8.133139      7.127475      3.063492
  C      -8.596958      6.955208      1.735933
  C      -7.752481      7.183374      0.670696
  C      -6.417716      7.598490      0.889614
  C      -5.938784      7.767426      2.173742
  C      -6.778211      7.524925      3.291422
  C      -6.173376      2.136218      6.281591
  C      -6.795761      2.837421      7.497381
  C      -8.208410      2.302133      7.819725
  C      -9.232290      2.730891      6.805976
  N      -9.380909      1.958139      5.734499
  C     -10.271367      2.360672      4.789102
  N     -11.051452      3.422082      4.813239
  C     -10.934161      4.223178      5.914179
  C     -11.757142      5.371613      6.017555
  C     -11.662378      6.194695      7.119860
  C     -10.737019      5.910824      8.152596
  C      -9.918741      4.802126      8.073675
  C     -10.003109      3.927232      6.960194
  H      -3.991413      1.120539      1.288275
  H      -5.346551      2.156397      1.760400
  H      -5.868773      0.736788      3.687226
  H      -4.448509     -0.275669      3.394464
  H      -6.648550     -1.270755      2.578145
  H      -6.781042      0.059375      1.407614
  H      -4.444972     -1.138836     -2.193206
  H      -2.200940     -4.579601     -0.136736
  H      -2.179639     -5.519626      2.180091
  H      -3.614487     -4.513123      3.950199
  H      -5.052106     -2.570995      3.441888
  H      -5.443498      5.579094      6.402803
  H      -3.987140      5.667837      7.403085
  H      -3.481003      7.930465      6.576318
  H      -5.140687      7.848726      7.188765
  H      -4.931442      9.152292      5.044861
  H      -4.269390      7.724686      4.249141
  H      -9.174756      6.890032      6.147323
  H      -9.628767      6.631152      1.594881
  H      -8.111616      7.043950     -0.350356
  H      -5.764856      7.787661      0.035629
  H      -4.911918      8.099892      2.328847
  H      -6.145119      1.045476      6.493323
  H      -6.834334      2.267270      5.416518
  H      -6.157911      2.688876      8.383627
  H      -6.835255      3.922231      7.307796
  H      -8.181211      1.201794      7.821775
  H      -8.505890      2.629062      8.825298
  H     -10.345678      1.712695      3.909945
  H     -12.450803      5.578039      5.201892
  H     -12.296826      7.079435      7.195761
  H     -10.667351      6.578461      9.012805
  H      -9.203465      4.599145      8.870936
  N      -3.681086      5.107141      2.488147
  H      -3.047895      5.881594      2.701850
  H      -4.543076      5.525530      2.126113
  H      -3.270774      4.553819      1.732739
  N      -6.091759      3.943370      3.690255
  N      -7.169141      4.052210      3.286582
101
Coordinates from ORCA-job orca E -6314.516003276088
  N      -3.664623      2.285690      3.015831
  Mo     -4.293428      3.666362      4.352049
  N      -4.839628      2.604574      5.931794
  C      -3.800900      2.180429      6.868873
  C      -2.518496      1.918214      6.092796
  N      -2.258018      3.059811      5.173723
  C      -1.466549      2.651282      3.990728
  C      -2.316422      1.757671      3.093888
  C      -1.646210      4.204598      5.904118
  C      -2.245166      5.507744      5.369820
  N      -3.690073      5.381334      5.311523
  H      -1.839670      1.703092      2.093040
  H      -2.303493      0.713934      3.479206
  H      -1.197867      3.574194      3.456131
  H      -0.529586      2.144126      4.290702
  H      -1.921787      6.350161      6.008071
  H      -1.826771      5.707217      4.364877
  H      -1.912643      4.104229      6.965463
  H      -0.544109      4.166997      5.827939
  H      -4.092286      1.250580      7.393337
  H      -3.625936      2.938832      7.658348
  H      -2.657174      1.018906      5.479554
  H      -1.652054      1.754491      6.759239
  C      -4.549306      1.507859      2.161801
  C      -5.220131      0.336556      2.894100
  C      -6.068203     -0.554422      1.963132
  C      -5.236653     -1.312192      0.968999
  N      -5.220475     -0.871295     -0.285941
  C      -4.419243     -1.524474     -1.169191
  N      -3.629086     -2.554903     -0.939711
  C      -3.638783     -3.038907      0.339961
  C      -2.826929     -4.155137      0.660612
  C      -2.830195     -4.668665      1.940961
  C      -3.643556     -4.093260      2.945504
  C      -4.440241     -3.002710      2.660444
  C      -4.452630     -2.446979      1.355887
  C      -4.416353      5.970881      6.422943
  C      -4.481954      7.509019      6.379161
  C      -4.969077      8.049370      5.033702
  C      -6.369521      7.638350      4.656683
  N      -7.227222      7.403859      5.643166
  C      -8.498490      7.059991      5.305072
  N      -8.998780      6.905742      4.096369
  C      -8.133534      7.122834      3.061930
  C      -8.595854      6.947506      1.734252
  C      -7.751087      7.176212      0.669345
  C      -6.417437      7.594672      0.888704
  C      -5.939750      7.765962      2.172990
  C      -6.779462      7.522938      3.290341
  C      -6.168845      2.135584      6.282334
  C      -6.792716      2.834695      7.498534
  C      -8.205045      2.297479      7.819090
  C      -9.228307      2.726041      6.804624
  N      -9.375659      1.953738      5.732652
  C     -10.265893      2.356075      4.786947
  N     -11.046971      3.416764      4.811301
  C     -10.930893      4.217418      5.912702
  C     -11.754930      5.365076      6.016331
  C     -11.661185      6.187771      7.119019
  C     -10.735986      5.904187      8.151985
  C      -9.916920      4.796078      8.072959
  C     -10.000141      3.921687      6.959012
  H      -3.984537      1.123446      1.289157
  H      -5.338790      2.161942      1.757706
  H      -5.867499      0.744601      3.684501
  H      -4.449857     -0.272162      3.393792
  H      -6.653001     -1.259365      2.573698
  H      -6.777778      0.071213      1.402939
  H      -4.435948     -1.133940     -2.192109
  H      -2.215278     -4.588039     -0.132237
  H      -2.205765     -5.530366      2.183676
  H      -3.640787     -4.518329      3.950463
  H      -5.067034     -2.568428      3.439737
  H      -5.443462      5.580067      6.403287
  H      -3.987312      5.671080      7.403651
  H      -3.484383      7.934302      6.576515
  H      -5.144134      7.850471      7.188416
  H      -4.935519      9.153772      5.044149
  H      -4.271503      7.726679      4.249127
  H      -9.177446      6.889214      6.145277
  H      -9.626741      6.620745      1.592736
  H      -8.109146      7.034580     -0.351782
  H      -5.764470      7.784502      0.034952
  H      -4.913646      8.100680      2.328488
  H      -6.138922      1.044700      6.493114
  H      -6.829808      2.266321      5.417226
  H      -6.155302      2.685827      8.385042
  H      -6.833292      3.919699      7.310174
  H      -8.176604      1.197171      7.820243
  H      -8.503993      2.623219      8.824618
  H     -10.338896      1.708719      3.907231
  H     -12.448489      5.571240      5.200519
  H     -12.296364      7.071977      7.195038
  H     -10.667104      6.571562      9.012464
  H      -9.201905      4.593192      8.870474
  N      -3.679888      5.109648      2.489083
  H      -3.047591      5.884795      2.702894
  H      -4.542092      5.527158      2.126521
  H      -3.268633      4.556442      1.734111
  N      -6.089189      3.941821      3.690608
  N      -7.166724      4.047497      3.286490
101
Coordinates from ORCA-job orca E -6314.516004897841
  N      -3.654527      2.293356      3.017112
  Mo     -4.287518      3.671639      4.353452
  N      -4.831990      2.608920      5.933285
  C      -3.792769      2.186946      6.870787
  C      -2.509556      1.927452      6.095100
  N      -2.251254      3.069483      5.176026
  C      -1.458265      2.662527      3.993465
  C      -2.305814      1.767018      3.096384
  C      -1.642345      4.215749      5.906559
  C      -2.243729      5.517490      5.371482
  N      -3.688336      5.388325      5.312581
  H      -1.828199      1.712643      2.095988
  H      -2.291545      0.723580      3.482490
  H      -1.191561      3.585971      3.458795
  H      -0.520292      2.157599      4.294003
  H      -1.922133      6.360928      6.009292
  H      -1.825367      5.716988      4.366539
  H      -1.909215      4.114973      6.967761
  H      -0.540117      4.180508      5.831051
  H      -4.082355      1.256330      7.394883
  H      -3.619680      2.945389      7.660663
  H      -2.646493      1.027919      5.481775
  H      -1.642834      1.765402      6.761591
  C      -4.537621      1.517557      2.159475
  C      -5.216012      0.349326      2.889735
  C      -6.067887     -0.535856      1.956577
  C      -5.238550     -1.301239      0.966525
  N      -5.210257     -0.859070     -0.287773
  C      -4.411089     -1.519958     -1.167169
  N      -3.633745     -2.559343     -0.934423
  C      -3.655935     -3.044476      0.344668
  C      -2.858139     -4.169834      0.668723
  C      -2.874041     -4.684394      1.948556
  C      -3.686451     -4.100943      2.949202
  C      -4.469684     -3.001551      2.660786
  C      -4.468931     -2.444702      1.356654
  C      -4.416292      5.975998      6.423872
  C      -4.486239      7.514018      6.379785
  C      -4.974116      8.052943      5.033977
  C      -6.373185      7.637831      4.656381
  N      -7.231000      7.402567      5.642608
  C      -8.500961      7.054259      5.304124
  N      -8.999422      6.894854      4.095344
  C      -8.133873      7.112412      3.061206
  C      -8.593975      6.931588      1.733510
  C      -7.749287      7.161884      0.668861
  C      -6.417856      7.587233      0.888505
  C      -5.942109      7.763257      2.172869
  C      -6.781666      7.518574      3.289949
  C      -6.159994      2.135313      6.282104
  C      -6.786881      2.829905      7.499288
  C      -8.198443      2.288450      7.816199
  C      -9.220808      2.716633      6.800580
  N      -9.365207      1.945568      5.727330
  C     -10.254956      2.347567      4.780999
  N     -11.038395      3.406495      4.806035
  C     -10.925421      4.205760      5.908768
  C     -11.752279      5.351305      6.013289
  C     -11.661459      6.172592      7.117271
  C     -10.736564      5.889696      8.150698
  C      -9.914952      4.783521      8.070939
  C      -9.995151      3.910594      6.955626
  H      -3.970402      1.130690      1.289587
  H      -5.323250      2.173859      1.751379
  H      -5.862551      0.760681      3.679048
  H      -4.450121     -0.264011      3.390529
  H      -6.661117     -1.235094      2.565496
  H      -6.770044      0.095324      1.393230
  H      -4.417755     -1.127999     -2.189667
  H      -2.246845     -4.608738     -0.121100
  H      -2.260406     -5.553081      2.193893
  H      -3.693657     -4.526787      3.953817
  H      -5.095679     -2.560951      3.437164
  H      -5.442371      5.582296      6.404269
  H      -3.986481      5.677514      7.404627
  H      -3.489971      7.942147      6.577606
  H      -5.149793      7.853753      7.188604
  H      -4.943842      9.157437      5.044610
  H      -4.275098      7.732396      4.249803
  H      -9.180426      6.884244      6.144132
  H      -9.623094      6.599472      1.591626
  H      -8.105703      7.016117     -0.352258
  H      -5.765155      7.778700      0.034925
  H      -4.917702      8.103104      2.328691
  H      -6.126966      1.044057      6.490599
  H      -6.820795      2.265845      5.416862
  H      -6.150329      2.680071      8.386261
  H      -6.829689      3.915326      7.313743
  H      -8.167186      1.188231      7.815190
  H      -8.500275      2.611355      8.821772
  H     -10.325334      1.701475      3.900154
  H     -12.445539      5.557022      5.197120
  H     -12.298744      7.055230      7.193928
  H     -10.670074      6.556013      9.012189
  H      -9.200467      4.580952      8.868989
  N      -3.676251      5.116060      2.490451
  H      -3.045106      5.892041      2.704676
  H      -4.538404      5.532621      2.126609
  H      -3.263375      4.562879      1.736351
  N      -6.083400      3.940149      3.689794
  N      -7.161040      4.039647      3.284331
101
Coordinates from ORCA-job orca E -6314.516006599189
  N      -3.645414      2.299818      3.017771
  Mo     -4.282573      3.676221      4.353910
  N      -4.826321      2.612635      5.933511
  C      -3.787073      2.192204      6.871634
  C      -2.502898      1.934998      6.096731
  N      -2.245920      3.077614      5.178075
  C      -1.451000      2.672343      3.996234
  C      -2.296066      1.775428      3.098233
  C      -1.639777      4.224880      5.909374
  C      -2.242845      5.525585      5.373687
  N      -3.687175      5.394092      5.313465
  H      -1.817381      1.721860      2.098340
  H      -2.280439      0.732059      3.484484
  H      -1.185605      3.596389      3.461957
  H      -0.512354      2.169196      4.297641
  H      -1.923142      6.369664      6.011613
  H      -1.823932      5.725532      4.369073
  H      -1.907640      4.123474      6.970264
  H      -0.537403      4.191590      5.835074
  H      -4.075425      1.260902      7.395200
  H      -3.615797      2.950536      7.662022
  H      -2.638277      1.035473      5.483038
  H      -1.636246      1.774052      6.763579
  C      -4.526643      1.524623      2.157517
  C      -5.209636      0.358179      2.886335
  C      -6.065302     -0.522134      1.951935
  C      -5.238653     -1.293842      0.964650
  N      -5.201115     -0.850680     -0.289068
  C      -4.404491     -1.518095     -1.165868
  N      -3.638137     -2.565154     -0.931115
  C      -3.669814     -3.051100      0.347471
  C      -2.883934     -4.184216      0.673617
  C      -2.909314     -4.699409      1.953044
  C      -3.719624     -4.108818      2.951196
  C      -4.491431     -3.001911      2.660684
  C      -4.480866     -2.444430      1.356873
  C      -4.417067      5.979788      6.424518
  C      -4.490816      7.517640      6.380561
  C      -4.979358      8.055554      5.034565
  C      -6.377171      7.636738      4.656390
  N      -7.235221      7.401094      5.642356
  C      -8.504110      7.049353      5.303466
  N      -9.001047      6.886095      4.094560
  C      -8.135216      7.104103      3.060726
  C      -8.593712      6.919721      1.732970
  C      -7.748886      7.150842      0.668604
  C      -6.418919      7.580594      0.888610
  C      -5.944722      7.760079      2.173062
  C      -6.784354      7.514464      3.289867
  C      -6.153552      2.135748      6.280718
  C      -6.782478      2.826592      7.498966
  C      -8.193477      2.282063      7.813152
  C      -9.215539      2.710552      6.797290
  N      -9.358212      1.940870      5.722831
  C     -10.247888      2.343088      4.776503
  N     -11.032915      3.400789      4.802719
  C     -10.921789      4.198542      5.906725
  C     -11.750612      5.342536      6.012639
  C     -11.661564      6.162300      7.117893
  C     -10.736543      5.879459      8.151213
  C      -9.913075      4.774762      8.070151
  C      -9.991509      3.903326      6.953540
  H      -3.957113      1.136258      1.289858
  H      -5.309923      2.181788      1.746254
  H      -5.854549      0.771511      3.675908
  H      -4.446358     -0.258876      3.386590
  H      -6.665021     -1.216556      2.559941
  H      -6.761709      0.113611      1.386567
  H      -4.403391     -1.125075     -2.187985
  H      -2.273917     -4.628402     -0.114242
  H      -2.304844     -5.574034      2.200030
  H      -3.734303     -4.535077      3.955556
  H      -5.115812     -2.555770      3.435196
  H      -5.442174      5.583472      6.404485
  H      -3.986929      5.682287      7.405421
  H      -3.495726      7.948206      6.579006
  H      -5.155714      7.855624      7.188997
  H      -4.952109      9.160126      5.045650
  H      -4.279065      7.737141      4.250689
  H      -9.183855      6.879147      6.143242
  H      -9.621730      6.584348      1.590770
  H      -8.104050      7.002277     -0.352547
  H      -5.766176      7.772806      0.035230
  H      -4.921533      8.103448      2.329227
  H      -6.118442      1.044121      6.487049
  H      -6.814206      2.266681      5.415438
  H      -6.146531      2.675512      8.386169
  H      -6.826716      3.912394      7.316024
  H      -8.160270      1.181916      7.809926
  H      -8.497139      2.602294      8.819044
  H     -10.316638      1.698340      3.894552
  H     -12.443858      5.548362      5.196492
  H     -12.300350      7.043764      7.195629
  H     -10.671538      6.544618      9.013715
  H      -9.198624      4.572154      8.868218
  N      -3.672177      5.121844      2.491400
  H      -3.041438      5.898035      2.706098
  H      -4.533955      5.538244      2.126445
  H      -3.258290      4.568478      1.737991
  N      -6.078122      3.938942      3.687237
  N      -7.155456      4.033309      3.279699
101
Coordinates from ORCA-job orca E -6314.516008085602
  N      -3.634369      2.307551      3.018052
  Mo     -4.276760      3.682057      4.353653
  N      -4.820254      2.617354      5.932704
  C      -3.781278      2.198428      6.871746
  C      -2.495740      1.943979      6.098145
  N      -2.239918      3.087486      5.180329
  C      -1.442267      2.684415      3.999616
  C      -2.284046      1.785995      3.099997
  C      -1.637241      4.235713      5.913048
  C      -2.242010      5.535365      5.376778
  N      -3.685982      5.401052      5.314338
  H      -1.803879      1.734019      2.100754
  H      -2.266561      0.742514      3.485862
  H      -1.178067      3.609249      3.466119
  H      -0.502998      2.183232      4.302352
  H      -1.924933      6.379948      6.015362
  H      -1.821979      5.736388      4.372852
  H      -1.906756      4.133323      6.973418
  H      -0.534674      4.204646      5.840659
  H      -4.068410      1.266242      7.394435
  H      -3.612370      2.956478      7.662916
  H      -2.629122      1.044609      5.483781
  H      -1.629447      1.784122      6.765714
  C      -4.512871      1.531984      2.155149
  C      -5.199811      0.366951      2.882476
  C      -6.060345     -0.507498      1.946918
  C      -5.237411     -1.286741      0.962595
  N      -5.189226     -0.842494     -0.290383
  C      -4.396264     -1.517874     -1.164432
  N      -3.643373     -2.574210     -0.927683
  C      -3.686014     -3.061053      0.350244
  C      -2.914803     -4.203628      0.678407
  C      -2.951073     -4.719441      1.957328
  C      -3.757982     -4.119966      2.952943
  C      -4.515730     -3.003916      2.660368
  C      -4.493926     -2.445854      1.356956
  C      -4.418588      5.983975      6.425065
  C      -4.496963      7.521587      6.381912
  C      -4.986145      8.058871      5.035865
  C      -6.382074      7.635064      4.656278
  N      -7.240374      7.397121      5.641517
  C      -8.507490      7.040245      5.301516
  N      -9.002450      6.874170      4.092152
  C      -8.136381      7.094853      3.059086
  C      -8.592869      6.908209      1.730946
  C      -7.747826      7.141934      0.667332
  C      -6.419679      7.576715      0.888510
  C      -5.947491      7.758677      2.173347
  C      -6.787299      7.510353      3.289432
  C      -6.146787      2.137248      6.278121
  C      -6.777417      2.823910      7.497869
  C      -8.187468      2.275864      7.810083
  C      -9.210156      2.704104      6.794714
  N      -9.351648      1.935510      5.719331
  C     -10.242182      2.337336      4.773622
  N     -11.029293      3.393418      4.801453
  C     -10.919421      4.189975      5.906437
  C     -11.750563      5.332121      6.014104
  C     -11.662686      6.150730      7.120309
  C     -10.736559      5.868608      8.152825
  C      -9.910874      4.765699      8.070089
  C      -9.988124      3.895381      6.952519
  H      -3.940362      1.142381      1.290059
  H      -5.294208      2.189243      1.740304
  H      -5.842089      0.781875      3.673331
  H      -4.438797     -0.254450      3.380864
  H      -6.667442     -1.196155      2.554075
  H      -6.750134      0.133609      1.379465
  H      -4.385794     -1.123496     -2.185976
  H      -2.306979     -4.654341     -0.107437
  H      -2.357888     -5.601300      2.205944
  H      -3.781221     -4.546573      3.956994
  H      -5.137517     -2.550897      3.432974
  H      -5.442449      5.584425      6.404007
  H      -3.988396      5.687317      7.406201
  H      -3.503373      7.955044      6.581533
  H      -5.163701      7.857012      7.189898
  H      -4.963135      9.163525      5.048208
  H      -4.283946      7.743842      4.252375
  H      -9.187614      6.868336      6.140648
  H      -9.619569      6.569182      1.587887
  H      -8.101397      6.991566     -0.354107
  H      -5.766780      7.770955      0.035703
  H      -4.925905      8.106349      2.330459
  H      -6.109718      1.045170      6.481827
  H      -6.807396      2.269103      5.412954
  H      -6.141628      2.671586      8.384974
  H      -6.823419      3.910106      7.317804
  H      -8.151923      1.175801      7.804635
  H      -8.492436      2.593270      8.816508
  H     -10.309850      1.693612      3.890839
  H     -12.444532      5.537579      5.198482
  H     -12.303261      7.030776      7.199427
  H     -10.672560      6.532891      9.016080
  H      -9.195611      4.563635      8.867575
  N      -3.666501      5.129125      2.492153
  H      -3.035638      5.905083      2.707340
  H      -4.527625      5.545876      2.126029
  H      -3.251950      4.575248      1.739486
  N      -6.071572      3.938260      3.682567
  N      -7.148148      4.026853      3.271705
101
Coordinates from ORCA-job orca E -6314.516010066172
  N      -3.627841      2.312731      3.017650
  Mo     -4.273536      3.686116      4.353050
  N      -4.817309      2.620206      5.931256
  C      -3.778702      2.201643      6.870844
  C      -2.492145      1.949256      6.098262
  N      -2.236761      3.093747      5.181554
  C      -1.437144      2.692495      4.001604
  C      -2.276648      1.793504      3.100345
  C      -1.636355      4.242178      5.915864
  C      -2.241959      5.541484      5.379754
  N      -3.685673      5.405314      5.315348
  H      -1.795442      1.743412      2.101498
  H      -2.257712      0.749661      3.485132
  H      -1.173384      3.618000      3.469065
  H      -0.497630      2.192294      4.305211
  H      -1.926898      6.385955      6.019489
  H      -1.820831      5.744004      4.376594
  H      -1.907241      4.138697      6.975771
  H      -0.533656      4.212397      5.844991
  H      -4.065244      1.268680      7.392497
  H      -3.611472      2.959189      7.662846
  H      -2.624044      1.050243      5.483060
  H      -1.626301      1.789807      6.766500
  C      -4.504198      1.535998      2.153504
  C      -5.192056      0.371051      2.880051
  C      -6.055985     -0.499663      1.944042
  C      -5.235806     -1.283543      0.961217
  N      -5.181370     -0.838625     -0.291262
  C      -4.391103     -1.518981     -1.163904
  N      -3.646852     -2.581234     -0.926318
  C      -3.695878     -3.068609      0.351177
  C      -2.933974     -4.217170      0.680159
  C      -2.976371     -4.733191      1.958811
  C      -3.780273     -4.127855      2.953327
  C      -4.529114     -3.006037      2.659879
  C      -4.501090     -2.447872      1.356628
  C      -4.420396      5.986173      6.425770
  C      -4.501742      7.523584      6.383420
  C      -4.990839      8.060637      5.037237
  C      -6.385208      7.633272      4.655897
  N      -7.244056      7.393094      5.640138
  C      -8.509848      7.033098      5.298648
  N      -9.003166      6.866551      4.088650
  C      -8.136597      7.089894      3.056601
  C      -8.591538      6.903551      1.727869
  C      -7.745880      7.139489      0.665251
  C      -6.418691      7.576376      0.888048
  C      -5.948114      7.758496      2.173450
  C      -6.788585      7.507984      3.288581
  C      -6.143660      2.138993      6.275925
  C      -6.774296      2.823442      7.496957
  C      -8.183333      2.273322      7.809825
  C      -9.207592      2.700107      6.795461
  N      -9.349342      1.930950      5.720510
  C     -10.241407      2.331329      4.775625
  N     -11.029702      3.386507      4.803902
  C     -10.919414      4.183713      5.908370
  C     -11.751485      5.325162      6.016297
  C     -11.663073      6.144555      7.121888
  C     -10.735466      5.863941      8.153485
  C      -9.908859      4.761748      8.070470
  C      -9.986616      3.890638      6.953557
  H      -3.929666      1.146284      1.289837
  H      -5.285214      2.192447      1.736744
  H      -5.832001      0.786111      3.672728
  H      -4.431593     -0.253027      3.375994
  H      -6.667315     -1.184789      2.550879
  H      -6.741886      0.144759      1.375608
  H      -4.374943     -1.123776     -2.185050
  H      -2.328146     -4.672109     -0.104789
  H      -2.390351     -5.619627      2.208136
  H      -3.808285     -4.554494      3.957240
  H      -5.148613     -2.548499      3.431662
  H      -5.443393      5.584503      6.403600
  H      -3.990490      5.689873      7.407149
  H      -3.509203      7.958864      6.584251
  H      -5.170004      7.857166      7.190925
  H      -4.970884      9.165332      5.050620
  H      -4.286973      7.748126      4.254262
  H      -9.190341      6.858746      6.136943
  H      -9.617591      6.563043      1.583685
  H      -8.098195      6.989294     -0.356646
  H      -5.765233      7.772163      0.036018
  H      -4.927418      8.108175      2.331804
  H      -6.106072      1.046607      6.477917
  H      -6.804465      2.272022      5.411080
  H      -6.137730      2.670785      8.383441
  H      -6.821628      3.909799      7.318301
  H      -8.146198      1.173308      7.804027
  H      -8.488053      2.589919      8.816608
  H     -10.309379      1.687098      3.893230
  H     -12.446543      5.529537      5.201325
  H     -12.304355      7.024063      7.201237
  H     -10.671045      6.528850      9.016222
  H      -9.192318      4.560958      8.867142
  N      -3.662716      5.134563      2.492976
  H      -3.030979      5.909737      2.708408
  H      -4.523306      5.552291      2.126709
  H      -3.248628      4.580243      1.740379
  N      -6.067686      3.938897      3.678771
  N      -7.143420      4.024387      3.265053
101
Coordinates from ORCA-job orca E -6314.516010605317
  N      -3.625384      2.314784      3.016974
  Mo     -4.272341      3.687938      4.352293
  N      -4.816795      2.621148      5.929679
  C      -3.778594      2.202162      6.869572
  C      -2.491374      1.951023      6.097743
  N      -2.235888      3.096249      5.181950
  C      -1.435258      2.695958      4.002394
  C      -2.273640      1.796919      3.100058
  C      -1.636544      4.244495      5.917432
  C      -2.242293      5.543918      5.381739
  N      -3.685864      5.406863      5.315922
  H      -1.791828      1.748180      2.101410
  H      -2.253948      0.752732      3.483834
  H      -1.171432      3.621805      3.470490
  H      -0.495762      2.195981      4.306437
  H      -1.928470      6.387984      6.022614
  H      -1.820285      5.747760      4.379214
  H      -1.908323      4.140248      6.977030
  H      -0.533779      4.215131      5.847480
  H      -4.065098      1.268619      7.390222
  H      -3.612350      2.959161      7.662302
  H      -2.622226      1.052314      5.481879
  H      -1.625995      1.791645      6.766594
  C      -4.500444      1.536983      2.152491
  C      -5.188161      0.371777      2.878725
  C      -6.053350     -0.497354      1.942339
  C      -5.234113     -1.283142      0.960297
  N      -5.176747     -0.837954     -0.291943
  C      -4.387448     -1.520404     -1.163814
  N      -3.646950     -2.585167     -0.925732
  C      -3.699002     -3.072801      0.351545
  C      -2.941222     -4.223953      0.680979
  C      -2.986514     -4.740074      1.959490
  C      -3.789263     -4.132208      2.953405
  C      -4.534181     -3.007913      2.659481
  C      -4.503243     -2.449701      1.356311
  C      -4.421925      5.986708      6.426006
  C      -4.504723      7.524020      6.384165
  C      -4.993331      8.061138      5.037822
  C      -6.386616      7.631798      4.654754
  N      -7.245809      7.388582      5.637945
  C      -8.510628      7.026710      5.294909
  N      -9.002938      6.861938      4.084246
  C      -8.136032      7.088602      3.053230
  C      -8.589930      6.904400      1.723822
  C      -7.743861      7.143372      0.662224
  C      -6.417308      7.581289      0.886738
  C      -5.947765      7.761533      2.172785
  C      -6.788707      7.508009      3.286920
  C      -6.143338      2.140377      6.274359
  C      -6.772890      2.824132      7.496380
  C      -8.181075      2.273218      7.811404
  C      -9.207130      2.698338      6.798226
  N      -9.350046      1.927996      5.724263
  C     -10.243898      2.326780      4.780394
  N     -11.032670      3.381620      4.808709
  C     -10.920932      4.180188      5.912050
  C     -11.753058      5.321624      6.019786
  C     -11.663142      6.142463      7.124198
  C     -10.733977      5.863277      8.154791
  C      -9.907343      4.761091      8.071948
  C      -9.986528      3.888597      6.956229
  H      -3.924867      1.147513      1.289427
  H      -5.281739      2.192618      1.734938
  H      -5.827086      0.786558      3.672386
  H      -4.427763     -0.253454      3.373349
  H      -6.666469     -1.181124      2.548868
  H      -6.737515      0.148420      1.373330
  H      -4.368442     -1.124765     -2.184739
  H      -2.336144     -4.680679     -0.103508
  H      -2.403670     -5.628493      2.209199
  H      -3.819507     -4.558858      3.957246
  H      -5.152793     -2.548400      3.430804
  H      -5.444474      5.584022      6.402934
  H      -3.992462      5.690471      7.407608
  H      -3.512764      7.960181      6.585924
  H      -5.173962      7.856589      7.191296
  H      -4.975122      9.165848      5.051896
  H      -4.288229      7.750157      4.255349
  H      -9.191426      6.849767      6.132363
  H      -9.615539      6.563068      1.578419
  H      -8.095356      6.994887     -0.360205
  H      -5.763481      7.779353      0.035512
  H      -4.927614      8.112174      2.332439
  H      -6.106319      1.047806      6.475396
  H      -6.804395      2.274663      5.409890
  H      -6.135054      2.671702      8.381980
  H      -6.821088      3.910501      7.318060
  H      -8.143170      1.173221      7.806344
  H      -8.484590      2.590340      8.818404
  H     -10.313018      1.681462      3.898879
  H     -12.449391      5.524834      5.205601
  H     -12.304420      7.021981      7.203390
  H     -10.668303      6.529318      9.016554
  H      -9.189481      4.561473      8.867737
  N      -3.660537      5.137021      2.493435
  H      -3.027948      5.911497      2.708818
  H      -4.520911      5.555503      2.127553
  H      -3.247249      4.582377      1.740638
  N      -6.066061      3.940124      3.676371
  N      -7.141096      4.024938      3.260729
101
Coordinates from ORCA-job orca E -6314.516011081808
  N      -3.623859      2.316231      3.016736
  Mo     -4.271452      3.689059      4.352224
  N      -4.816282      2.621557      5.929001
  C      -3.778282      2.202275      6.869055
  C      -2.490634      1.952130      6.097678
  N      -2.235168      3.097870      5.182492
  C      -1.434061      2.698179      4.003062
  C      -2.271816      1.799110      3.100141
  C      -1.636482      4.245992      5.918675
  C      -2.242490      5.545501      5.383414
  N      -3.685959      5.407789      5.316776
  H      -1.789599      1.751107      2.101637
  H      -2.251751      0.754731      3.483357
  H      -1.170280      3.624225      3.471488
  H      -0.494538      2.198324      4.307230
  H      -1.929483      6.389263      6.025085
  H      -1.819986      5.750283      4.381289
  H      -1.908628      4.141197      6.978125
  H      -0.533687      4.216949      5.849093
  H      -4.064695      1.268291      7.388966
  H      -3.612709      2.958901      7.662281
  H      -2.620620      1.053601      5.481376
  H      -1.625547      1.792914      6.766945
  C      -4.498160      1.538247      2.151700
  C      -5.186694      0.373264      2.877518
  C      -6.052553     -0.494661      1.940576
  C      -5.233720     -1.281783      0.959267
  N      -5.174085     -0.836468     -0.292813
  C      -4.385204     -1.520323     -1.163951
  N      -3.647217     -2.586698     -0.925314
  C      -3.701584     -3.074441      0.351825
  C      -2.946514     -4.227209      0.681818
  C      -2.994045     -4.743357      1.960231
  C      -3.796389     -4.133890      2.953489
  C      -4.538736     -3.008043      2.659010
  C      -4.505522     -2.449817      1.355896
  C      -4.422871      5.987203      6.426523
  C      -4.506659      7.524451      6.384485
  C      -4.994690      8.061089      5.037748
  C      -6.387342      7.630729      4.653553
  N      -7.246924      7.385988      5.636019
  C      -8.511322      7.023643      5.291936
  N      -9.002913      6.859818      4.080855
  C      -8.135538      7.087934      3.050554
  C      -8.588588      6.904734      1.720714
  C      -7.742038      7.145075      0.659810
  C      -6.415803      7.583354      0.885461
  C      -5.947049      7.762625      2.171932
  C      -6.788550      7.507829      3.285373
  C      -6.142959      2.141201      6.273837
  C      -6.771618      2.824490      7.496587
  C      -8.178999      2.272722      7.813552
  C      -9.206391      2.695887      6.800952
  N      -9.350080      1.923989      5.728200
  C     -10.245207      2.320990      4.784795
  N     -11.034282      3.375648      4.812371
  C     -10.921509      4.175963      5.914348
  C     -11.753508      5.317594      6.021056
  C     -11.662449      6.140261      7.124023
  C     -10.732291      5.862702      8.154171
  C      -9.905809      4.760321      8.072320
  C      -9.986057      3.886066      6.958065
  H      -3.921907      1.148687      1.289148
  H      -5.279188      2.193790      1.733449
  H      -5.825302      0.788263      3.671334
  H      -4.426913     -0.252919      3.371902
  H      -6.667135     -1.177509      2.546637
  H      -6.735244      0.152146      1.370955
  H      -4.364224     -1.124515     -2.184769
  H      -2.341667     -4.685070     -0.102182
  H      -2.413286     -5.633017      2.210377
  H      -3.828373     -4.560541      3.957276
  H      -5.157013     -2.547263      3.429850
  H      -5.445136      5.583867      6.403019
  H      -3.993619      5.691295      7.408316
  H      -3.515095      7.961272      6.586771
  H      -5.176591      7.856673      7.191190
  H      -4.977298      9.165812      5.051664
  H      -4.288769      7.750544      4.255819
  H      -9.192376      6.845313      6.128860
  H      -9.613939      6.562980      1.574482
  H      -8.092885      6.997401     -0.362958
  H      -5.761580      7.782447      0.034782
  H      -4.927096      8.113453      2.332459
  H      -6.106458      1.048485      6.474155
  H      -6.804176      2.276477      5.409638
  H      -6.132612      2.672529      8.381420
  H      -6.820814      3.910832      7.318339
  H      -8.140220      1.172753      7.809610
  H      -8.481687      2.590745      8.820516
  H     -10.315251      1.674214      3.904418
  H     -12.450701      5.519452      5.207264
  H     -12.303573      7.019961      7.202397
  H     -10.665660      6.530177      9.014746
  H      -9.187125      4.561976      8.867685
  N      -3.659293      5.138753      2.494406
  H      -3.026103      5.912766      2.709666
  H      -4.519715      5.557748      2.129233
  H      -3.246791      4.584108      1.741180
  N      -6.064971      3.941114      3.675512
  N      -7.139505      4.025715      3.258564
101
Coordinates from ORCA-job orca E -6314.516011211769
  N      -3.621198      2.317631      3.016645
  Mo     -4.269827      3.690129      4.352052
  N      -4.815564      2.622070      5.928141
  C      -3.778023      2.202234      6.868538
  C      -2.489739      1.953196      6.097907
  N      -2.234058      3.099525      5.183511
  C      -1.432112      2.700611      4.004383
  C      -2.268844      1.801367      3.100691
  C      -1.636353      4.247534      5.920610
  C      -2.242434      5.547117      5.385508
  N      -3.685781      5.408803      5.317508
  H      -1.785967      1.754075      2.102467
  H      -2.248358      0.756845      3.483469
  H      -1.168494      3.626935      3.473218
  H      -0.492515      2.201088      4.308876
  H      -1.930446      6.390595      6.028043
  H      -1.819032      5.752732      4.383929
  H      -1.909272      4.142174      6.979809
  H      -0.533499      4.218860      5.851807
  H      -4.064535      1.267657      7.387330
  H      -3.613266      2.958197      7.662581
  H      -2.618718      1.054930      5.481017
  H      -1.625109      1.794036      6.767785
  C      -4.494615      1.539624      2.150792
  C      -5.184729      0.375241      2.876093
  C      -6.051253     -0.491286      1.938403
  C      -5.232772     -1.280072      0.958123
  N      -5.170121     -0.834530     -0.293727
  C      -4.381599     -1.520048     -1.163874
  N      -3.646649     -2.588341     -0.924464
  C      -3.704122     -3.076297      0.352461
  C      -2.952393     -4.231025      0.683240
  C      -3.003080     -4.747405      1.961432
  C      -3.805370     -4.136233      2.953677
  C      -4.544528     -3.008491      2.658426
  C      -4.508018     -2.449984      1.355520
  C      -4.423917      5.987951      6.426582
  C      -4.509058      7.525135      6.383949
  C      -4.996696      8.060894      5.036736
  C      -6.388815      7.629518      4.651765
  N      -7.248464      7.382927      5.633703
  C      -8.512446      7.019827      5.288864
  N      -9.003567      6.856857      4.077482
  C      -8.136014      7.086686      3.047689
  C      -8.588386      6.904215      1.717519
  C      -7.741680      7.146299      0.657129
  C      -6.415935      7.585596      0.883630
  C      -5.947802      7.764110      2.170436
  C      -6.789481      7.507566      3.283335
  C      -6.142488      2.142164      6.272709
  C      -6.770236      2.824299      7.496563
  C      -8.176976      2.271696      7.814887
  C      -9.205464      2.693869      6.802995
  N      -9.350024      1.921212      5.730900
  C     -10.246417      2.317218      4.788279
  N     -11.035685      3.371749      4.815904
  C     -10.921852      4.172945      5.917137
  C     -11.753883      5.314556      6.023850
  C     -11.661733      6.138091      7.126083
  C     -10.730492      5.861400      8.155491
  C      -9.904046      4.758988      8.073662
  C      -9.985317      3.883920      6.960120
  H      -3.917541      1.149624      1.289013
  H      -5.274972      2.195296      1.731433
  H      -5.823223      0.790878      3.669654
  H      -4.426035     -0.252072      3.370713
  H      -6.667823     -1.172910      2.543810
  H      -6.732020      0.156778      1.367907
  H      -4.358158     -1.124008     -2.184551
  H      -2.347527     -4.690140     -0.100014
  H      -2.424886     -5.638565      2.212183
  H      -3.839858     -4.563075      3.957301
  H      -5.162765     -2.546379      3.428499
  H      -5.445824      5.583740      6.402588
  H      -3.994974      5.692706      7.408704
  H      -3.517972      7.962884      6.586601
  H      -5.179692      7.857077      7.190182
  H      -4.980053      9.165636      5.050129
  H      -4.290072      7.750529      4.255347
  H      -9.193603      6.840251      6.125437
  H      -9.613337      6.561539      1.570627
  H      -8.092019      6.999209     -0.365896
  H      -5.761614      7.786088      0.033360
  H      -4.928183      8.115628      2.331640
  H      -6.106758      1.049157      6.471601
  H      -6.803710      2.279113      5.408777
  H      -6.130161      2.672043      8.380569
  H      -6.820236      3.910748      7.319159
  H      -8.137500      1.171758      7.811302
  H      -8.478963      2.589983      8.821978
  H     -10.317270      1.669806      3.908439
  H     -12.452008      5.515661      5.210670
  H     -12.302819      7.017820      7.204415
  H     -10.662968      6.529570      9.015455
  H      -9.184583      4.561242      8.868467
  N      -3.656610      5.140158      2.495285
  H      -3.022977      5.913831      2.710448
  H      -4.516993      5.559515      2.130441
  H      -3.244586      4.585375      1.741899
  N      -6.062873      3.941880      3.673818
  N      -7.136728      4.025959      3.255038
