99
Coordinates from ORCA-job orca E -6532.774625554835
  N      -4.638728      3.599312      5.119316
  Mo     -3.956368      1.810935      4.680588
  N      -4.489662      0.931504      6.344889
  C      -3.605303      1.069143      7.487190
  C      -3.012992      2.484055      7.483944
  N      -2.475424      2.797070      6.148700
  C      -2.473082      4.246038      5.908935
  C      -3.915206      4.721017      5.657494
  C      -1.126465      2.236958      5.969538
  C      -1.085589      1.587778      4.573774
  N      -2.290432      0.795913      4.463017
  H      -3.910940      5.563334      4.947102
  H      -4.379133      5.081912      6.588582
  H      -1.879690      4.434100      5.009715
  H      -2.021671      4.783462      6.752270
  H      -0.174969      0.992414      4.457307
  H      -1.089594      2.368849      3.803603
  H      -0.955953      1.457155      6.715819
  H      -0.353354      3.002401      6.080389
  H      -4.142281      0.916261      8.431608
  H      -2.802646      0.317944      7.437638
  H      -3.823786      3.183326      7.700849
  H      -2.238340      2.589825      8.251754
  C      -5.729830      3.856586      4.244856
  C      -7.032482      4.272914      4.950313
  C      -7.604621      3.062088      5.692735
  O      -7.660695      1.955017      4.790409
  C      -8.730322      1.957469      3.944903
  N      -9.907345      2.273386      4.471678
  C     -10.944164      2.331325      3.652544
  N     -10.934481      2.168540      2.359383
  C      -9.740129      1.901460      1.787959
  C      -9.652144      1.807458      0.395308
  C      -8.403827      1.575502     -0.158853
  C      -7.299918      1.484801      0.672966
  N      -7.335207      1.592579      2.002165
  C      -8.558233      1.772770      2.559407
  C      -2.054322     -0.615237      4.663857
  C      -1.470180     -1.294011      3.394395
  C      -2.454967     -2.229664      2.677048
  O      -2.350508     -2.159232      1.252208
  C      -2.882678     -1.109158      0.648884
  N      -3.378880     -0.112517      1.346043
  C      -4.002499      0.872026      0.683960
  N      -4.163505      0.975400     -0.598441
  C      -3.610572     -0.003662     -1.367068
  C      -3.706351      0.031648     -2.772205
  C      -3.133450     -0.986335     -3.491225
  C      -2.477445     -2.023321     -2.804456
  N      -2.376001     -2.083149     -1.500971
  C      -2.926368     -1.095194     -0.783660
  C      -5.731400      0.276412      6.655216
  C      -5.664114     -1.270275      6.755426
  C      -6.832241     -1.916173      6.010252
  O      -6.609857     -1.787843      4.598719
  C      -7.569685     -1.270128      3.791615
  N      -8.710683     -0.843874      4.292466
  C      -9.667242     -0.547039      3.421556
  N      -9.671345     -0.769739      2.136726
  C      -8.486779     -1.136563      1.593890
  C      -8.374867     -1.373168      0.216522
  C      -7.155974     -1.821508     -0.273745
  C      -6.091165     -1.958127      0.598738
  N      -6.147529     -1.703858      1.904399
  C      -7.342187     -1.330689      2.393817
  H      -5.470165      4.621167      3.479906
  H      -5.904782      2.887218      3.748612
  H      -6.859558      5.088178      5.653289
  H      -7.754289      4.608279      4.199511
  H      -8.600308      3.263796      6.095829
  H      -6.926721      2.755329      6.492614
  H     -11.895600      2.568424      4.111638
  H     -10.542501      1.899169     -0.204987
  H      -8.270753      1.484256     -1.225362
  H      -6.319711      1.319980      0.252976
  H      -1.351068     -0.774876      5.494274
  H      -3.006427     -1.092097      4.923871
  H      -0.570143     -1.853502      3.643809
  H      -1.189837     -0.503215      2.695072
  H      -3.492417     -2.001647      2.953227
  H      -2.243621     -3.276845      2.900795
  H      -4.407299      1.656272      1.295793
  H      -4.218377      0.858976     -3.239208
  H      -3.176732     -0.998046     -4.568419
  H      -2.013666     -2.838443     -3.342159
  H      -6.440189      0.520001      5.861403
  H      -6.145452      0.660837      7.601218
  H      -4.734900     -1.625813      6.303016
  H      -5.688461     -1.601436      7.792073
  H      -7.785740     -1.448350      6.267561
  H      -6.883364     -2.989426      6.222958
  H     -10.592875     -0.198171      3.851901
  H      -9.235963     -1.246297     -0.420243
  H      -7.031491     -2.054486     -1.319444
  H      -5.129173     -2.306833      0.242688
  N      -5.288559      1.059993      3.197937
  N      -6.070070      0.619465      2.328162
  H      -5.788700      0.555421      1.349746
  H      -7.011474      0.311453      2.571999
99
Coordinates from ORCA-job orca E -6532.841930036477
  N      -4.672746      3.626017      5.205362
  Mo     -3.991428      1.852566      4.701172
  N      -4.517842      0.918971      6.351426
  C      -3.624831      1.033612      7.492368
  C      -3.035721      2.441933      7.528591
  N      -2.504985      2.792667      6.199470
  C      -2.504920      4.250419      6.009045
  C      -3.948188      4.729388      5.781926
  C      -1.154038      2.234868      5.993547
  C      -1.117594      1.631774      4.576127
  N      -2.325807      0.844524      4.441649
  H      -3.948194      5.596705      5.101053
  H      -4.409278      5.057295      6.728172
  H      -1.915332      4.470750      5.113299
  H      -2.048726      4.759099      6.869518
  H      -0.206538      1.038692      4.436758
  H      -1.121890      2.439358      3.831905
  H      -0.982226      1.430424      6.714785
  H      -0.378362      2.996650      6.126649
  H      -4.156811      0.853377      8.436220
  H      -2.818625      0.285966      7.418037
  H      -3.845230      3.136432      7.769931
  H      -2.256054      2.525224      8.296567
  C      -5.770376      3.920809      4.342497
  C      -7.073223      4.301280      5.071798
  C      -7.633492      3.044825      5.750907
  O      -7.683887      1.998675      4.768935
  C      -8.766085      2.045839      3.934954
  N      -9.948172      2.276362      4.494733
  C     -10.991295      2.370484      3.681881
  N     -10.988728      2.331691      2.372400
  C      -9.789083      2.155597      1.773126
  C      -9.699575      2.195384      0.373075
  C      -8.443908      2.044309     -0.202673
  C      -7.336988      1.892397      0.613970
  N      -7.371624      1.874348      1.963008
  C      -8.601865      1.985171      2.536378
  C      -2.110101     -0.579387      4.594760
  C      -1.543003     -1.259770      3.312891
  C      -2.575132     -2.158059      2.608144
  O      -2.521761     -2.126011      1.170814
  C      -3.017949     -1.072452      0.537187
  N      -3.412929     -0.011647      1.203022
  C      -4.003926      0.980557      0.516269
  N      -4.228460      1.031065     -0.765444
  C      -3.780658     -0.022467     -1.502380
  C      -3.955949     -0.049796     -2.899832
  C      -3.489120     -1.138145     -3.596605
  C      -2.858303     -2.183093     -2.892425
  N      -2.685686     -2.187364     -1.589006
  C      -3.133581     -1.127957     -0.894754
  C      -5.749159      0.245856      6.685275
  C      -5.717098     -1.305114      6.840257
  C      -6.898613     -1.952793      6.131906
  O      -6.615553     -1.905693      4.734315
  C      -7.440832     -1.384536      3.808311
  N      -8.581248     -0.788278      4.113005
  C      -9.381278     -0.477857      3.085670
  N      -9.228646     -0.833445      1.831396
  C      -8.026742     -1.383122      1.504993
  C      -7.750208     -1.775361      0.181132
  C      -6.536941     -2.403143     -0.084142
  C      -5.623064     -2.564092      0.947719
  N      -5.834656     -2.168875      2.202643
  C      -7.038224     -1.618333      2.472907
  H      -5.511879      4.714581      3.608102
  H      -5.953809      2.976198      3.806701
  H      -6.898721      5.084922      5.812918
  H      -7.803687      4.670095      4.343247
  H      -8.629291      3.209259      6.172849
  H      -6.946871      2.697103      6.527716
  H     -11.945082      2.514436      4.164058
  H     -10.595270      2.322526     -0.217031
  H      -8.304967      2.055277     -1.276791
  H      -6.357428      1.780843      0.169639
  H      -1.409525     -0.770031      5.422629
  H      -3.072512     -1.043281      4.843307
  H      -0.656563     -1.848340      3.554186
  H      -1.240160     -0.475484      2.614031
  H      -3.594555     -1.882456      2.909682
  H      -2.401416     -3.212856      2.833963
  H      -4.323534      1.823775      1.107803
  H      -4.446063      0.789248     -3.378043
  H      -3.596170     -1.199659     -4.670574
  H      -2.477642     -3.053253     -3.415113
  H      -6.463710      0.494799      5.897215
  H      -6.147005      0.635898      7.637209
  H      -4.801501     -1.715552      6.403032
  H      -5.745738     -1.579558      7.895893
  H      -7.836350     -1.437103      6.359372
  H      -6.998151     -3.014296      6.388102
  H     -10.310898      0.031675      3.341073
  H      -8.494853     -1.621782     -0.587057
  H      -6.299013     -2.754625     -1.078719
  H      -4.664349     -3.047842      0.773766
  N      -5.309506      1.184901      3.187586
  N      -6.082526      0.824266      2.271582
  H      -5.767304      0.818901      1.297242
  H      -7.049648      0.489196      2.459650
99
Coordinates from ORCA-job orca E -6532.893825039845
  N      -4.688722      3.610548      5.209998
  Mo     -3.981474      1.843051      4.700116
  N      -4.514851      0.885488      6.346248
  C      -3.626443      1.011070      7.494528
  C      -3.064577      2.425894      7.550220
  N      -2.526894      2.794641      6.227185
  C      -2.542165      4.256330      6.046187
  C      -3.983973      4.717765      5.805369
  C      -1.162352      2.254820      6.029275
  C      -1.101287      1.667263      4.606368
  N      -2.295837      0.858605      4.446431
  H      -3.986034      5.591230      5.130621
  H      -4.460967      5.033971      6.750005
  H      -1.943698      4.489721      5.157735
  H      -2.099668      4.764181      6.917044
  H      -0.177711      1.088380      4.469858
  H      -1.108127      2.485555      3.871378
  H      -0.986531      1.445879      6.747076
  H      -0.398689      3.029020      6.179123
  H      -4.162991      0.814778      8.434597
  H      -2.804353      0.277284      7.422061
  H      -3.887346      3.107309      7.791288
  H      -2.290843      2.515712      8.326891
  C      -5.784673      3.915636      4.334216
  C      -7.103119      4.281765      5.048114
  C      -7.685366      3.021491      5.696404
  O      -7.724833      2.003029      4.680122
  C      -8.794177      2.077475      3.829347
  N      -9.995554      2.270246      4.371946
  C     -11.024552      2.375934      3.531750
  N     -10.990596      2.386085      2.213546
  C      -9.768960      2.249955      1.634266
  C      -9.642231      2.340430      0.235388
  C      -8.367079      2.223706     -0.318571
  C      -7.277013      2.049941      0.512431
  N      -7.339386      1.978383      1.875390
  C      -8.595788      2.064528      2.430035
  C      -2.058765     -0.566585      4.584224
  C      -1.461603     -1.227813      3.300646
  C      -2.471874     -2.136532      2.577358
  O      -2.414864     -2.121008      1.130405
  C      -2.914907     -1.078017      0.474861
  N      -3.291485      0.000327      1.123668
  C      -3.886062      0.983402      0.420665
  N      -4.137950      1.008419     -0.863487
  C      -3.710319     -0.069315     -1.579266
  C      -3.920513     -0.126975     -2.971392
  C      -3.475830     -1.235352     -3.657168
  C      -2.831918     -2.270810     -2.944710
  N      -2.627251     -2.249694     -1.639160
  C      -3.054916     -1.167703     -0.957279
  C      -5.728263      0.180697      6.714415
  C      -5.646788     -1.370050      6.887479
  C      -6.832276     -2.065687      6.236167
  O      -6.605688     -2.005388      4.833407
  C      -7.505129     -1.506206      3.979381
  N      -8.655327     -0.984743      4.372894
  C      -9.532728     -0.661493      3.401233
  N      -9.422789     -0.933970      2.116148
  C      -8.208623     -1.401764      1.706039
  C      -7.972097     -1.697873      0.344895
  C      -6.743389     -2.244436     -0.014261
  C      -5.768065     -2.425065      0.966854
  N      -5.941817     -2.119922      2.253296
  C      -7.159709     -1.650476      2.611658
  H      -5.519500      4.719430      3.614292
  H      -5.963908      2.983919      3.780955
  H      -6.936723      5.057090      5.804403
  H      -7.823580      4.662128      4.312556
  H      -8.688919      3.182782      6.104367
  H      -7.016296      2.650871      6.479719
  H     -11.996294      2.474649      3.996377
  H     -10.528116      2.479664     -0.372603
  H      -8.198018      2.275494     -1.392212
  H      -6.287508      1.964310      0.074996
  H      -1.366120     -0.755621      5.421548
  H      -3.017444     -1.048437      4.817324
  H      -0.568129     -1.806252      3.554381
  H      -1.157819     -0.434684      2.609712
  H      -3.497472     -1.872341      2.870189
  H      -2.288127     -3.190495      2.806621
  H      -4.191326      1.845254      1.005042
  H      -4.422514      0.708715     -3.453571
  H      -3.610563     -1.320334     -4.730352
  H      -2.468988     -3.156360     -3.462581
  H      -6.474418      0.403331      5.945605
  H      -6.107163      0.572845      7.675207
  H      -4.730858     -1.753296      6.421671
  H      -5.630110     -1.637233      7.948977
  H      -7.778771     -1.578190      6.498184
  H      -6.888037     -3.129472      6.502639
  H     -10.472601     -0.205900      3.730000
  H      -8.761022     -1.533047     -0.380648
  H      -6.535803     -2.519267     -1.043352
  H      -4.790677     -2.845239      0.719979
  N      -5.250529      1.185977      3.175092
  N      -6.000707      0.847262      2.228069
  H      -5.648306      0.862463      1.258853
  H      -6.972015      0.473269      2.371416
99
Coordinates from ORCA-job orca E -6532.933607417064
  N      -4.686571      3.623383      5.224916
  Mo     -3.975949      1.846384      4.721189
  N      -4.510930      0.882529      6.363036
  C      -3.620306      1.013085      7.517108
  C      -3.064921      2.431519      7.575766
  N      -2.524478      2.804494      6.248300
  C      -2.539929      4.269878      6.062846
  C      -3.978303      4.730382      5.819341
  C      -1.153746      2.267323      6.047125
  C      -1.090247      1.685453      4.622554
  N      -2.280338      0.866202      4.459233
  H      -3.979747      5.604075      5.142928
  H      -4.455381      5.049801      6.765282
  H      -1.938650      4.499431      5.173272
  H      -2.094963      4.779403      6.934183
  H      -0.161516      1.110957      4.482426
  H      -1.099483      2.508493      3.890216
  H      -0.974337      1.457650      6.765636
  H      -0.393621      3.047782      6.200587
  H      -4.157994      0.813068      8.457595
  H      -2.791958      0.282593      7.447617
  H      -3.890524      3.112563      7.815751
  H      -2.290884      2.525004      8.355211
  C      -5.791363      3.946144      4.350575
  C      -7.107759      4.318261      5.069134
  C      -7.707181      3.066021      5.713753
  O      -7.768126      2.048976      4.691481
  C      -8.843834      2.120503      3.849601
  N     -10.049208      2.287115      4.399118
  C     -11.087956      2.363689      3.557317
  N     -11.061443      2.365637      2.232483
  C      -9.832677      2.257425      1.647529
  C      -9.707042      2.339825      0.245355
  C      -8.426500      2.248769     -0.311796
  C      -7.327648      2.106055      0.515159
  N      -7.383283      2.041464      1.884985
  C      -8.648788      2.105277      2.447107
  C      -2.036353     -0.562600      4.592455
  C      -1.428669     -1.230789      3.315224
  C      -2.431763     -2.149094      2.595347
  O      -2.372904     -2.160643      1.141099
  C      -2.876351     -1.121108      0.479898
  N      -3.233390     -0.035837      1.131199
  C      -3.839378      0.947334      0.432517
  N      -4.126793      0.966694     -0.851287
  C      -3.720460     -0.124644     -1.564132
  C      -3.974628     -0.193496     -2.949583
  C      -3.555004     -1.311487     -3.641822
  C      -2.892536     -2.345867     -2.941150
  N      -2.646639     -2.318616     -1.636276
  C      -3.050666     -1.224763     -0.950242
  C      -5.735473      0.173898      6.701833
  C      -5.648969     -1.376445      6.870087
  C      -6.818501     -2.078105      6.190151
  O      -6.570079     -2.029125      4.781582
  C      -7.460496     -1.528495      3.921322
  N      -8.604517     -0.992043      4.312735
  C      -9.483145     -0.643861      3.337424
  N      -9.373803     -0.896615      2.043202
  C      -8.164253     -1.383198      1.631360
  C      -7.929153     -1.660187      0.261714
  C      -6.714661     -2.222501     -0.104534
  C      -5.737614     -2.443940      0.878091
  N      -5.903914     -2.158143      2.170964
  C      -7.114907     -1.669774      2.540384
  H      -5.521891      4.750051      3.633674
  H      -5.987843      3.027570      3.790932
  H      -6.929858      5.090612      5.830699
  H      -7.826957      4.711183      4.335896
  H      -8.708081      3.235319      6.128672
  H      -7.038687      2.682166      6.493087
  H     -12.064711      2.432295      4.028955
  H     -10.600220      2.454244     -0.363123
  H      -8.256208      2.296502     -1.389662
  H      -6.335762      2.039951      0.068167
  H      -1.345241     -0.745901      5.434731
  H      -2.994345     -1.048431      4.825367
  H      -0.532717     -1.805300      3.582006
  H      -1.120175     -0.441777      2.619237
  H      -3.460002     -1.882573      2.880623
  H      -2.247479     -3.201238      2.838866
  H      -4.130647      1.816316      1.025879
  H      -4.492798      0.644141     -3.419971
  H      -3.724491     -1.405326     -4.713055
  H      -2.550449     -3.238254     -3.469071
  H      -6.468355      0.398445      5.917129
  H      -6.136396      0.565463      7.655523
  H      -4.718354     -1.754843      6.424799
  H      -5.654046     -1.645782      7.934934
  H      -7.773259     -1.592016      6.432565
  H      -6.876385     -3.142609      6.459126
  H     -10.415846     -0.169734      3.671348
  H      -8.716256     -1.464387     -0.463336
  H      -6.510928     -2.482554     -1.141976
  H      -4.769637     -2.879881      0.617706
  N      -5.216026      1.186092      3.238206
  N      -5.963675      0.843066      2.295807
  H      -5.604949      0.852072      1.322847
  H      -6.922912      0.448306      2.435747
99
Coordinates from ORCA-job orca E -6532.966264355749
  N      -4.689860      3.625121      5.216842
  Mo     -3.974498      1.834225      4.727900
  N      -4.511689      0.870977      6.369506
  C      -3.621480      1.008684      7.526094
  C      -3.072216      2.429256      7.585323
  N      -2.527814      2.800732      6.255893
  C      -2.541346      4.268077      6.061636
  C      -3.976021      4.730554      5.809954
  C      -1.152388      2.263423      6.056198
  C      -1.084333      1.682445      4.631823
  N      -2.268611      0.853326      4.461891
  H      -3.972583      5.602689      5.130203
  H      -4.454503      5.056681      6.754521
  H      -1.934827      4.489363      5.172475
  H      -2.095211      4.780257      6.932182
  H      -0.151721      1.111911      4.491291
  H      -1.093088      2.508307      3.901244
  H      -0.972337      1.455675      6.777872
  H      -0.396192      3.048988      6.213115
  H      -4.161966      0.807584      8.465970
  H      -2.788981      0.281051      7.462327
  H      -3.899373      3.111312      7.820678
  H      -2.299513      2.527630      8.367191
  C      -5.797973      3.970820      4.344196
  C      -7.111720      4.351906      5.062603
  C      -7.729621      3.105765      5.696358
  O      -7.805324      2.093842      4.665809
  C      -8.879660      2.163330      3.828564
  N     -10.089328      2.297905      4.374862
  C     -11.129440      2.344093      3.524400
  N     -11.102882      2.344135      2.198562
  C      -9.865607      2.269568      1.619657
  C      -9.730691      2.345315      0.218954
  C      -8.444513      2.277394     -0.326834
  C      -7.345866      2.161365      0.511908
  N      -7.409829      2.105726      1.873556
  C      -8.679278      2.149557      2.425339
  C      -2.021576     -0.576275      4.589539
  C      -1.408204     -1.241338      3.313836
  C      -2.407420     -2.159652      2.590991
  O      -2.339251     -2.178475      1.131797
  C      -2.841060     -1.135541      0.471979
  N      -3.187440     -0.046200      1.126480
  C      -3.793555      0.940805      0.430143
  N      -4.096303      0.961817     -0.853793
  C      -3.701908     -0.138475     -1.564241
  C      -3.976638     -0.212462     -2.946648
  C      -3.571756     -1.335825     -3.641060
  C      -2.903969     -2.370559     -2.946405
  N      -2.638823     -2.342611     -1.642767
  C      -3.029234     -1.242526     -0.956231
  C      -5.740906      0.162429      6.694761
  C      -5.636818     -1.384453      6.877615
  C      -6.793039     -2.110925      6.201988
  O      -6.544745     -2.077525      4.787007
  C      -7.450432     -1.587963      3.939887
  N      -8.591870     -1.063767      4.350659
  C      -9.486456     -0.697320      3.391226
  N      -9.385860     -0.907719      2.088081
  C      -8.177864     -1.381557      1.655141
  C      -7.953104     -1.611694      0.273449
  C      -6.745673     -2.157915     -0.121149
  C      -5.756066     -2.416080      0.847400
  N      -5.909992     -2.176230      2.149364
  C      -7.118040     -1.701083      2.546504
  H      -5.519620      4.774490      3.631181
  H      -6.014238      3.066771      3.776924
  H      -6.926513      5.118091      5.831335
  H      -7.824504      4.759894      4.329601
  H      -8.729362      3.281614      6.113611
  H      -7.066168      2.704853      6.472590
  H     -12.110757      2.372530      3.994454
  H     -10.623742      2.435455     -0.396873
  H      -8.264776      2.320807     -1.404774
  H      -6.345945      2.109942      0.072708
  H      -1.333771     -0.760095      5.435869
  H      -2.979425     -1.064233      4.820377
  H      -0.511948     -1.815677      3.586712
  H      -1.095038     -0.451374      2.620033
  H      -3.438111     -1.893625      2.868520
  H      -2.225708     -3.212104      2.838205
  H      -4.076139      1.812712      1.029561
  H      -4.500557      0.626765     -3.410887
  H      -3.757595     -1.434145     -4.710838
  H      -2.574803     -3.266198     -3.480040
  H      -6.469525      0.379838      5.902470
  H      -6.152892      0.562046      7.641288
  H      -4.696185     -1.754420      6.443819
  H      -5.645135     -1.643477      7.946705
  H      -7.755313     -1.633826      6.434635
  H      -6.837893     -3.173182      6.483582
  H     -10.415133     -0.228358      3.747755
  H      -8.748072     -1.388296     -0.437404
  H      -6.549426     -2.380266     -1.170474
  H      -4.791144     -2.840193      0.557868
  N      -5.173815      1.183614      3.288235
  N      -5.917742      0.838487      2.342227
  H      -5.551040      0.845431      1.372473
  H      -6.865862      0.432612      2.468756
99
Coordinates from ORCA-job orca E -6532.992842630948
  N      -4.696304      3.628660      5.211599
  Mo     -3.974332      1.823883      4.737844
  N      -4.512727      0.859022      6.378078
  C      -3.624747      0.999825      7.536661
  C      -3.079936      2.422065      7.598341
  N      -2.531258      2.794118      6.269035
  C      -2.542793      4.262422      6.068071
  C      -3.974282      4.729305      5.806975
  C      -1.152610      2.256602      6.070568
  C      -1.079918      1.679390      4.645336
  N      -2.257216      0.841971      4.465994
  H      -3.963106      5.601166      5.125982
  H      -4.454163      5.061387      6.749997
  H      -1.930471      4.475985      5.180510
  H      -2.095902      4.775648      6.938514
  H      -0.143519      1.113319      4.504012
  H      -1.087493      2.509278      3.918348
  H      -0.972988      1.449457      6.793656
  H      -0.400374      3.046157      6.233192
  H      -4.168544      0.796297      8.475168
  H      -2.789237      0.274569      7.477734
  H      -3.907950      3.105192      7.829582
  H      -2.309157      2.523408      8.382866
  C      -5.804846      4.001661      4.343727
  C      -7.114991      4.389956      5.063964
  C      -7.750024      3.146355      5.682893
  O      -7.841039      2.140690      4.643183
  C      -8.913798      2.207622      3.812057
  N     -10.125313      2.312540      4.354913
  C     -11.167176      2.327356      3.498624
  N     -11.141540      2.320849      2.173869
  C      -9.898780      2.276892      1.599512
  C      -9.757602      2.341714      0.199182
  C      -8.469776      2.296263     -0.337213
  C      -7.370760      2.211064      0.514139
  N      -7.441445      2.167998      1.864600
  C      -8.710156      2.191857      2.406135
  C      -2.007230     -0.587164      4.584388
  C      -1.389377     -1.245971      3.308072
  C      -2.388309     -2.161563      2.583516
  O      -2.316424     -2.185808      1.120147
  C      -2.818116     -1.142051      0.460015
  N      -3.154685     -0.047113      1.111919
  C      -3.762698      0.939217      0.414408
  N      -4.081388      0.954962     -0.867498
  C      -3.699447     -0.155346     -1.571391
  C      -3.996445     -0.242225     -2.949454
  C      -3.605843     -1.373047     -3.639595
  C      -2.930376     -2.403243     -2.946332
  N      -2.645328     -2.366423     -1.646632
  C      -3.022287     -1.258276     -0.965183
  C      -5.745571      0.151431      6.688255
  C      -5.627883     -1.391898      6.880809
  C      -6.771911     -2.137073      6.206478
  O      -6.521978     -2.117445      4.785861
  C      -7.435132     -1.633869      3.944980
  N      -8.573754     -1.111894      4.363788
  C      -9.471315     -0.727465      3.412519
  N      -9.371174     -0.902424      2.105453
  C      -8.166268     -1.375951      1.663230
  C      -7.941699     -1.569180      0.275218
  C      -6.740426     -2.111198     -0.133452
  C      -5.751496     -2.407671      0.830224
  N      -5.904470     -2.204300      2.135543
  C      -7.108014     -1.729796      2.545584
  H      -5.516735      4.807246      3.636952
  H      -6.041856      3.113170      3.764729
  H      -6.924186      5.146312      5.842423
  H      -7.820765      4.815897      4.333242
  H      -8.748077      3.327420      6.103534
  H      -7.091630      2.726050      6.453768
  H     -12.150690      2.321717      3.969115
  H     -10.650483      2.405631     -0.422008
  H      -8.283748      2.332804     -1.414950
  H      -6.364934      2.175242      0.082462
  H      -1.323162     -0.774095      5.434283
  H      -2.964618     -1.078184      4.811901
  H      -0.493312     -1.821658      3.582832
  H      -1.072129     -0.453627      2.618596
  H      -3.420121     -1.895695      2.856497
  H      -2.209653     -3.214614      2.832226
  H      -4.036067      1.815924      1.014154
  H      -4.527608      0.594146     -3.411844
  H      -3.809188     -1.481791     -4.705980
  H      -2.613377     -3.304246     -3.479856
  H      -6.468324      0.364351      5.889007
  H      -6.169142      0.557202      7.627942
  H      -4.678166     -1.753365      6.458524
  H      -5.641280     -1.644504      7.952311
  H      -7.740215     -1.667673      6.428789
  H      -6.807362     -3.197090      6.497693
  H     -10.394763     -0.257642      3.780723
  H      -8.735706     -1.316495     -0.428310
  H      -6.542839     -2.303672     -1.189253
  H      -4.789767     -2.828950      0.524808
  N      -5.130030      1.190006      3.345057
  N      -5.875462      0.838795      2.391776
  H      -5.504289      0.843191      1.426128
  H      -6.813188      0.425395      2.510023
99
Coordinates from ORCA-job orca E -6533.014090658235
  N      -4.700568      3.632452      5.200764
  Mo     -3.974979      1.811543      4.747882
  N      -4.516476      0.848351      6.388334
  C      -3.630992      0.990824      7.547984
  C      -3.085547      2.413158      7.610117
  N      -2.531187      2.782619      6.281821
  C      -2.537881      4.250364      6.071991
  C      -3.965480      4.725218      5.799220
  C      -1.151896      2.241380      6.085723
  C      -1.076369      1.667473      4.659917
  N      -2.247885      0.825421      4.470131
  H      -3.942147      5.596151      5.116754
  H      -4.446186      5.065840      6.739596
  H      -1.918964      4.453497      5.186378
  H      -2.089975      4.765239      6.941436
  H      -0.137529      1.104177      4.518140
  H      -1.080302      2.501295      3.936694
  H      -0.975309      1.434835      6.810458
  H      -0.401539      3.032440      6.253998
  H      -4.178645      0.787606      8.485039
  H      -2.794969      0.265547      7.494811
  H      -3.912467      3.099766      7.836042
  H      -2.316951      2.516072      8.397253
  C      -5.806165      4.036704      4.339743
  C      -7.110955      4.434802      5.063514
  C      -7.763559      3.193748      5.667539
  O      -7.871615      2.194452      4.619487
  C      -8.943897      2.257541      3.796691
  N     -10.154949      2.334908      4.336555
  C     -11.199252      2.314971      3.477541
  N     -11.175609      2.296661      2.155108
  C      -9.930558      2.280577      1.583458
  C      -9.786345      2.327189      0.181918
  C      -8.500506      2.300215     -0.348388
  C      -7.399732      2.249252      0.513767
  N      -7.475654      2.225395      1.853271
  C      -8.740297      2.233693      2.386634
  C      -1.997492     -0.602589      4.576763
  C      -1.378297     -1.251315      3.296294
  C      -2.379545     -2.159425      2.567377
  O      -2.304214     -2.180571      1.101526
  C      -2.806597     -1.134797      0.443621
  N      -3.140167     -0.037345      1.093762
  C      -3.749998      0.947878      0.395373
  N      -4.077497      0.959380     -0.885508
  C      -3.701646     -0.156304     -1.585136
  C      -4.013324     -0.254098     -2.960684
  C      -3.629810     -1.389639     -3.646736
  C      -2.947053     -2.414362     -2.954005
  N      -2.649477     -2.369242     -1.657019
  C      -3.019853     -1.256603     -0.980093
  C      -5.753582      0.145366      6.685632
  C      -5.627986     -1.394230      6.890947
  C      -6.762365     -2.156769      6.221888
  O      -6.512448     -2.155406      4.796335
  C      -7.428480     -1.680327      3.955188
  N      -8.567480     -1.158298      4.373070
  C      -9.459734     -0.761545      3.422583
  N      -9.349993     -0.905972      2.114644
  C      -8.145436     -1.382820      1.672314
  C      -7.910684     -1.545532      0.282688
  C      -6.710861     -2.085924     -0.128647
  C      -5.733035     -2.417459      0.838175
  N      -5.896544     -2.245756      2.143858
  C      -7.097842     -1.767349      2.554575
  H      -5.506287      4.843722      3.639499
  H      -6.065826      3.163974      3.747802
  H      -6.914358      5.179425      5.852280
  H      -7.808915      4.880599      4.336489
  H      -8.758868      3.381151      6.092783
  H      -7.110218      2.752876      6.431365
  H     -12.181817      2.277442      3.950433
  H     -10.679528      2.362247     -0.442131
  H      -8.312272      2.323928     -1.425953
  H      -6.390110      2.225551      0.087669
  H      -1.317030     -0.796691      5.428934
  H      -2.954732     -1.096258      4.800255
  H      -0.483213     -1.831054      3.567936
  H      -1.057286     -0.453897      2.614586
  H      -3.411883     -1.893982      2.837575
  H      -2.204953     -3.214252      2.812334
  H      -4.019182      1.827129      0.994155
  H      -4.551619      0.577768     -3.422783
  H      -3.844758     -1.507065     -4.710202
  H      -2.636276     -3.318441     -3.486528
  H      -6.469612      0.354074      5.879287
  H      -6.187434      0.559756      7.617543
  H      -4.671273     -1.750583      6.479960
  H      -5.645904     -1.638122      7.964769
  H      -7.735530     -1.693382      6.433570
  H      -6.789868     -3.213422      6.525160
  H     -10.381144     -0.290219      3.793412
  H      -8.697065     -1.265913     -0.419819
  H      -6.502549     -2.252569     -1.186990
  H      -4.771990     -2.837109      0.527460
  N      -5.090643      1.197006      3.401680
  N      -5.841646      0.836801      2.440314
  H      -5.467478      0.833944      1.479971
  H      -6.772146      0.421598      2.556903
99
Coordinates from ORCA-job orca E -6533.030158375358
  N      -4.702118      3.639405      5.193071
  Mo     -3.972849      1.803111      4.764137
  N      -4.521385      0.838973      6.401221
  C      -3.640617      0.980392      7.563034
  C      -3.091030      2.402001      7.628593
  N      -2.527124      2.770622      6.304129
  C      -2.529005      4.237196      6.087361
  C      -3.952301      4.720795      5.800118
  C      -1.148479      2.225116      6.111757
  C      -1.069372      1.659647      4.683842
  N      -2.235650      0.815263      4.479025
  H      -3.913164      5.592140      5.118793
  H      -4.435794      5.068635      6.736773
  H      -1.901828      4.431244      5.205486
  H      -2.082435      4.753340      6.956833
  H      -0.128640      1.099358      4.540736
  H      -1.067264      2.499620      3.967295
  H      -0.977334      1.416814      6.835794
  H      -0.399144      3.015567      6.289240
  H      -4.194172      0.776989      8.496852
  H      -2.805689      0.253784      7.515781
  H      -3.916358      3.092675      7.848365
  H      -2.326607      2.503934      8.420083
  C      -5.801478      4.078456      4.340306
  C      -7.100849      4.484008      5.069392
  C      -7.772100      3.244245      5.655675
  O      -7.899720      2.252561      4.599022
  C      -8.974869      2.310307      3.787728
  N     -10.183279      2.363355      4.326546
  C     -11.231752      2.307624      3.469087
  N     -11.211731      2.273740      2.149037
  C      -9.967929      2.281792      1.577078
  C      -9.824602      2.304371      0.172604
  C      -8.544466      2.293045     -0.356829
  C      -7.439162      2.280032      0.511543
  N      -7.518512      2.279417      1.841736
  C      -8.776099      2.274479      2.371788
  C      -1.983784     -0.611824      4.566979
  C      -1.365066     -1.247981      3.279948
  C      -2.370004     -2.148511      2.547663
  O      -2.294726     -2.167502      1.081049
  C      -2.802370     -1.123004      0.422998
  N      -3.133797     -0.021038      1.068723
  C      -3.748159      0.958309      0.367442
  N      -4.087729      0.959208     -0.910656
  C      -3.717971     -0.162694     -1.604596
  C      -4.047369     -0.276998     -2.975569
  C      -3.669626     -1.419908     -3.654608
  C      -2.975714     -2.434321     -2.960838
  N      -2.662520     -2.374766     -1.667190
  C      -3.027513     -1.256000     -0.997852
  C      -5.764230      0.141249      6.680674
  C      -5.637008     -1.394846      6.897505
  C      -6.762022     -2.170512      6.229630
  O      -6.507487     -2.190562      4.801663
  C      -7.419723     -1.721457      3.951927
  N      -8.559243     -1.190695      4.361844
  C      -9.436316     -0.780869      3.405711
  N      -9.308542     -0.899313      2.098013
  C      -8.105156     -1.390987      1.662765
  C      -7.850706     -1.528950      0.275067
  C      -6.649810     -2.076999     -0.129048
  C      -5.695512     -2.447285      0.847022
  N      -5.880105     -2.303426      2.153277
  C      -7.078609     -1.810011      2.553935
  H      -5.488758      4.888741      3.649793
  H      -6.082831      3.222747      3.731054
  H      -6.899358      5.213411      5.870938
  H      -7.790046      4.952528      4.348158
  H      -8.763630      3.438634      6.086942
  H      -7.124072      2.780687      6.410402
  H     -12.210998      2.243747      3.947175
  H     -10.719362      2.308463     -0.450609
  H      -8.359017      2.298693     -1.434533
  H      -6.428009      2.266387      0.087664
  H      -1.306535     -0.815213      5.420104
  H      -2.939923     -1.110204      4.785543
  H      -0.470895     -1.832480      3.545120
  H      -1.041636     -0.444172      2.607166
  H      -3.402481     -1.884233      2.817182
  H      -2.198298     -3.204727      2.789065
  H      -4.015030      1.841453      0.960836
  H      -4.595868      0.546647     -3.439503
  H      -3.898584     -1.550458     -4.713582
  H      -2.670004     -3.342709     -3.488869
  H      -6.469401      0.347411      5.864224
  H      -6.211359      0.564130      7.602857
  H      -4.673407     -1.749057      6.501152
  H      -5.663952     -1.630609      7.973027
  H      -7.739652     -1.710677      6.426616
  H      -6.785461     -3.223197      6.545814
  H     -10.356094     -0.303669      3.771733
  H      -8.621121     -1.219109     -0.432443
  H      -6.422756     -2.221472     -1.186666
  H      -4.735262     -2.872191      0.540032
  N      -5.056858      1.206815      3.454008
  N      -5.814309      0.837820      2.486555
  H      -5.438812      0.826243      1.532492
  H      -6.738683      0.423610      2.609861
99
Coordinates from ORCA-job orca E -6533.041978025193
  N      -4.693858      3.648238      5.181638
  Mo     -3.963767      1.796940      4.784633
  N      -4.526734      0.832876      6.414778
  C      -3.654285      0.971620      7.581203
  C      -3.096003      2.390846      7.651495
  N      -2.516357      2.757447      6.333540
  C      -2.512109      4.222196      6.109385
  C      -3.929430      4.715402      5.802632
  C      -1.139979      2.205084      6.148734
  C      -1.054824      1.651838      4.717887
  N      -2.218209      0.809370      4.493714
  H      -3.869834      5.587606      5.124186
  H      -4.419512      5.070376      6.733102
  H      -1.873684      4.406903      5.233578
  H      -2.070194      4.740687      6.979675
  H      -0.113411      1.092908      4.574340
  H      -1.041982      2.499145      4.009846
  H      -0.979189      1.392955      6.870705
  H      -0.389644      2.991647      6.339199
  H      -4.217236      0.770066      8.509763
  H      -2.822775      0.241151      7.542298
  H      -3.918809      3.087443      7.861934
  H      -2.338899      2.489660      8.450225
  C      -5.783460      4.122794      4.335524
  C      -7.077209      4.534598      5.070084
  C      -7.767885      3.297040      5.639680
  O      -7.917239      2.310879      4.578552
  C      -9.002551      2.360905      3.783517
  N     -10.206071      2.396463      4.330183
  C     -11.262458      2.304367      3.483417
  N     -11.252643      2.247972      2.164491
  C     -10.014776      2.273431      1.583130
  C      -9.880698      2.262208      0.174746
  C      -8.608903      2.259957     -0.364880
  C      -7.493961      2.289398      0.498864
  N      -7.570025      2.319680      1.823793
  C      -8.817898      2.306997      2.361230
  C      -1.967488     -0.617688      4.558085
  C      -1.352719     -1.240484      3.263129
  C      -2.364351     -2.130606      2.528299
  O      -2.289220     -2.146548      1.062490
  C      -2.803576     -1.104647      0.404885
  N      -3.134476      0.000653      1.047194
  C      -3.753982      0.973855      0.342921
  N      -4.104316      0.964619     -0.931635
  C      -3.739602     -0.161908     -1.621118
  C      -4.085691     -0.291393     -2.986513
  C      -3.712176     -1.440584     -3.658895
  C      -3.006246     -2.444616     -2.964658
  N      -2.678144     -2.371465     -1.675053
  C      -3.039589     -1.247706     -1.012732
  C      -5.778070      0.143001      6.671132
  C      -5.656814     -1.389836      6.900203
  C      -6.773530     -2.174871      6.230790
  O      -6.510707     -2.220861      4.803095
  C      -7.415051     -1.758110      3.938246
  N      -8.554985     -1.214027      4.333594
  C      -9.411268     -0.792883      3.366425
  N      -9.259065     -0.892186      2.059522
  C      -8.057939     -1.404391      1.638701
  C      -7.775626     -1.521398      0.255418
  C      -6.571822     -2.079847     -0.132754
  C      -5.649578     -2.487940      0.856290
  N      -5.863233     -2.369231      2.162630
  C      -7.059097     -1.856942      2.545311
  H      -5.456066      4.936548      3.656729
  H      -6.084068      3.284336      3.706594
  H      -6.871604      5.247831      5.884808
  H      -7.756424      5.026414      4.355167
  H      -8.754541      3.501113      6.077858
  H      -7.125306      2.812039      6.385465
  H     -12.234763      2.222094      3.972977
  H     -10.780730      2.232978     -0.440322
  H      -8.434661      2.238772     -1.443618
  H      -6.485038      2.281020      0.069609
  H      -1.293401     -0.833591      5.410726
  H      -2.923157     -1.119792      4.771300
  H      -0.460864     -1.832237      3.519344
  H      -1.026115     -0.430162      2.599812
  H      -3.396162     -1.864749      2.798131
  H      -2.198039     -3.188484      2.766327
  H      -4.021159      1.860413      0.930100
  H      -4.644927      0.523253     -3.452305
  H      -3.954624     -1.583309     -4.713073
  H      -2.703890     -3.356615     -3.487894
  H      -6.467019      0.347918      5.840658
  H      -6.241663      0.576171      7.580425
  H      -4.686962     -1.746645      6.521933
  H      -5.696884     -1.616509      7.977215
  H      -7.754858     -1.715859      6.409579
  H      -6.796556     -3.222609      6.562411
  H     -10.331373     -0.308867      3.721439
  H      -8.523715     -1.181533     -0.461858
  H      -6.319564     -2.204061     -1.186981
  H      -4.688869     -2.919429      0.560147
  N      -5.031483      1.210708      3.491340
  N      -5.794188      0.833229      2.522190
  H      -5.419453      0.809254      1.572687
  H      -6.715201      0.425662      2.661077
99
Coordinates from ORCA-job orca E -6533.051166233849
  N      -4.680222      3.655347      5.166176
  Mo     -3.950623      1.791774      4.807650
  N      -4.530498      0.828739      6.428844
  C      -3.669401      0.964711      7.602238
  C      -3.102991      2.380990      7.677424
  N      -2.504780      2.744489      6.367154
  C      -2.495813      4.207020      6.134947
  C      -3.905800      4.708067      5.805595
  C      -1.131189      2.184938      6.192482
  C      -1.036353      1.646452      4.758024
  N      -2.198230      0.809008      4.512372
  H      -3.824172      5.581825      5.131674
  H      -4.406639      5.068794      6.727911
  H      -1.844482      4.383299      5.266972
  H      -2.062009      4.729852      7.006597
  H      -0.094610      1.087844      4.615420
  H      -1.010228      2.501427      4.059359
  H      -0.984056      1.367314      6.911050
  H      -0.378926      2.965669      6.398902
  H      -4.243335      0.765848      8.524695
  H      -2.841370      0.230162      7.573278
  H      -3.923736      3.083441      7.876224
  H      -2.355454      2.476848      8.485354
  C      -5.758104      4.162064      4.323862
  C      -7.047447      4.576747      5.063053
  C      -7.756280      3.342088      5.616835
  O      -7.923616      2.363608      4.551051
  C      -9.021820      2.406805      3.773937
  N     -10.219456      2.428387      4.333480
  C     -11.284332      2.303688      3.501348
  N     -11.287662      2.224504      2.183144
  C     -10.057613      2.264016      1.588148
  C      -9.935531      2.217990      0.177473
  C      -8.671193      2.220972     -0.376588
  C      -7.545857      2.290596      0.475849
  N      -7.615382      2.353327      1.798356
  C      -8.854503      2.335688      2.347942
  C      -1.950974     -0.618764      4.551726
  C      -1.343598     -1.227985      3.247800
  C      -2.363496     -2.106512      2.511463
  O      -2.285897     -2.120956      1.047457
  C      -2.806802     -1.082988      0.389053
  N      -3.138207      0.025089      1.027956
  C      -3.761622      0.993047      0.319651
  N      -4.118920      0.974310     -0.952283
  C      -3.758176     -0.156409     -1.637244
  C      -4.117284     -0.299642     -2.997475
  C      -3.746855     -1.454517     -3.662832
  C      -3.030907     -2.449337     -2.967032
  N      -2.691194     -2.363703     -1.681143
  C      -3.050506     -1.235326     -1.025778
  C      -5.789520      0.145452      6.661075
  C      -5.673269     -1.384094      6.901448
  C      -6.781629     -2.178047      6.230446
  O      -6.511593     -2.247823      4.804211
  C      -7.410723     -1.792485      3.927381
  N      -8.550193     -1.238929      4.313138
  C      -9.392183     -0.809953      3.338925
  N      -9.221830     -0.893384      2.032690
  C      -8.024886     -1.422957      1.621170
  C      -7.721544     -1.519798      0.241809
  C      -6.515058     -2.082831     -0.135431
  C      -5.618326     -2.523116      0.860187
  N      -5.854423     -2.430120      2.166727
  C      -7.047064     -1.902822      2.537886
  H      -5.415882      4.980082      3.658431
  H      -6.072207      3.340455      3.674600
  H      -6.839949      5.274133      5.890778
  H      -7.716489      5.090181      4.353938
  H      -8.738189      3.556479      6.060971
  H      -7.119752      2.837876      6.355191
  H     -12.248729      2.208393      4.004032
  H     -10.841664      2.157414     -0.426343
  H      -8.510875      2.171554     -1.456087
  H      -6.540816      2.284617      0.038154
  H      -1.279033     -0.849408      5.402133
  H      -2.906726     -1.123129      4.760891
  H      -0.454928     -1.828321      3.493954
  H      -1.013591     -0.411862      2.593198
  H      -3.393924     -1.835695      2.781317
  H      -2.205300     -3.165966      2.748359
  H      -4.029316      1.883553      0.900038
  H      -4.685592      0.506397     -3.466345
  H      -4.000283     -1.608195     -4.712704
  H      -2.730517     -3.364849     -3.484883
  H      -6.460171      0.347604      5.815393
  H      -6.271464      0.588160      7.556164
  H      -4.697852     -1.743483      6.540106
  H      -5.725169     -1.602525      7.979651
  H      -7.766691     -1.721208      6.393189
  H      -6.802809     -3.220950      6.576924
  H     -10.313150     -0.322964      3.686771
  H      -8.451371     -1.154233     -0.481268
  H      -6.242507     -2.185809     -1.186695
  H      -4.656324     -2.955645      0.570627
  N      -5.014116      1.207662      3.512416
  N      -5.778225      0.823325      2.544310
  H      -5.403906      0.785601      1.596635
  H      -6.700277      0.427377      2.700755
99
Coordinates from ORCA-job orca E -6533.058571017348
  N      -4.664942      3.656533      5.144238
  Mo     -3.937314      1.783670      4.830435
  N      -4.533908      0.825005      6.443861
  C      -3.685659      0.960561      7.625527
  C      -3.113341      2.373878      7.702460
  N      -2.496826      2.731159      6.399064
  C      -2.484967      4.191265      6.156208
  C      -3.886575      4.697261      5.803219
  C      -1.125699      2.164803      6.236150
  C      -1.018291      1.640761      4.798151
  N      -2.179611      0.809971      4.531188
  H      -3.783940      5.572493      5.133961
  H      -4.401012      5.062972      6.716044
  H      -1.820494      4.359353      5.296525
  H      -2.061469      4.721385      7.028684
  H      -0.076256      1.081700      4.657932
  H      -0.978248      2.502853      4.108590
  H      -0.993763      1.341131      6.950802
  H      -0.371225      2.939128      6.459308
  H      -4.270495      0.766402      8.542377
  H      -2.860530      0.222351      7.608095
  H      -3.932666      3.081882      7.887552
  H      -2.376077      2.469216      8.520020
  C      -5.730668      4.189638      4.302877
  C      -7.016529      4.605383      5.046123
  C      -7.740245      3.374518      5.587835
  O      -7.920711      2.406084      4.515933
  C      -9.031750      2.443441      3.757295
  N     -10.222846      2.457813      4.331477
  C     -11.296169      2.308797      3.514178
  N     -11.313617      2.207588      2.196581
  C     -10.091384      2.254314      1.586832
  C      -9.981444      2.176221      0.175742
  C      -8.723265      2.180872     -0.392640
  C      -7.588440      2.285217      0.445209
  N      -7.649359      2.378628      1.766974
  C      -8.881635      2.357657      2.330242
  C      -1.937832     -0.619382      4.545000
  C      -1.340275     -1.214838      3.230966
  C      -2.369574     -2.080206      2.492684
  O      -2.287326     -2.093652      1.030391
  C      -2.813387     -1.059057      0.370792
  N      -3.145677      0.050355      1.008174
  C      -3.769855      1.016360      0.296457
  N      -4.128716      0.992558     -0.975127
  C      -3.770321     -0.140822     -1.657283
  C      -4.135916     -0.292107     -3.014551
  C      -3.767254     -1.450691     -3.675443
  C      -3.046085     -2.440505     -2.978275
  N      -2.700689     -2.347732     -1.694017
  C      -3.059469     -1.216370     -1.042877
  C      -5.798749      0.145756      6.657333
  C      -5.685156     -1.380536      6.909451
  C      -6.787552     -2.182479      6.240183
  O      -6.512771     -2.270279      4.815724
  C      -7.408657     -1.820761      3.931250
  N      -8.547261     -1.260134      4.311098
  C      -9.380688     -0.825321      3.332444
  N      -9.198093     -0.897866      2.026625
  C      -8.005862     -1.442468      1.620932
  C      -7.687822     -1.524026      0.244473
  C      -6.479129     -2.088639     -0.125411
  C      -5.600121     -2.553121      0.873360
  N      -5.852729     -2.482036      2.179508
  C      -7.042347     -1.942652      2.543722
  H      -5.374857      5.011915      3.650608
  H      -6.052812      3.383130      3.635681
  H      -6.807891      5.289723      5.884666
  H      -7.677304      5.136622      4.342129
  H      -8.717698      3.598793      6.037213
  H      -7.109264      2.854991      6.320703
  H     -12.253932      2.210397      4.029121
  H     -10.893265      2.089673     -0.416605
  H      -8.576607      2.105357     -1.472544
  H      -6.587997      2.280514     -0.002291
  H      -1.266497     -0.866207      5.391350
  H      -2.894204     -1.124410      4.751609
  H      -0.455034     -1.824593      3.466262
  H      -1.006819     -0.393485      2.584401
  H      -3.397588     -1.800599      2.762329
  H      -2.222570     -3.141472      2.729713
  H      -4.038186      1.909658      0.872514
  H      -4.709347      0.508428     -3.486546
  H      -4.026846     -1.610627     -4.723000
  H      -2.746335     -3.358275     -3.492782
  H      -6.452662      0.342149      5.797660
  H      -6.297812      0.597700      7.538497
  H      -4.705921     -1.742313      6.560319
  H      -5.744080     -1.591357      7.989079
  H      -7.775510     -1.728183      6.392057
  H      -6.805819     -3.221262      6.599432
  H     -10.303140     -0.337973      3.675982
  H      -8.404183     -1.139147     -0.482084
  H      -6.191867     -2.173663     -1.174470
  H      -4.635858     -2.983998      0.588128
  N      -4.997534      1.197834      3.529393
  N      -5.759128      0.806814      2.563491
  H      -5.383026      0.753122      1.616550
  H      -6.685908      0.425848      2.734622
99
Coordinates from ORCA-job orca E -6533.064733603616
  N      -4.647421      3.654536      5.123011
  Mo     -3.924572      1.775368      4.855772
  N      -4.538293      0.821960      6.461425
  C      -3.704132      0.958207      7.652916
  C      -3.127196      2.369019      7.730350
  N      -2.493057      2.718722      6.433294
  C      -2.478494      4.176549      6.179698
  C      -3.871377      4.685638      5.803194
  C      -1.124090      2.146409      6.282640
  C      -1.001937      1.638044      4.840555
  N      -2.163008      0.814981      4.551156
  H      -3.749754      5.563089      5.139840
  H      -4.401638      5.053941      6.705882
  H      -1.800855      4.337552      5.328905
  H      -2.066581      4.714499      7.053132
  H      -0.059847      1.078208      4.703403
  H      -0.948283      2.507523      4.161040
  H      -1.007993      1.315263      6.991359
  H      -0.367729      2.913785      6.523939
  H      -4.299741      0.769413      8.564059
  H      -2.881674      0.216794      7.647704
  H      -3.945440      3.082067      7.900839
  H      -2.400592      2.465311      8.557506
  C      -5.700832      4.208417      4.279714
  C      -6.984526      4.624441      5.025039
  C      -7.720604      3.397155      5.556690
  O      -7.909551      2.440121      4.477582
  C      -9.032084      2.472509      3.736598
  N     -10.216505      2.485889      4.325363
  C     -11.297868      2.319841      3.522161
  N     -11.329184      2.197084      2.205843
  C     -10.114290      2.244630      1.581491
  C     -10.016545      2.137311      0.171677
  C      -8.763741      2.140712     -0.409354
  C      -7.620856      2.274244      0.412964
  N      -7.671431      2.395561      1.733690
  C      -8.897846      2.373316      2.310227
  C      -1.926194     -0.615830      4.537068
  C      -1.339585     -1.194344      3.211395
  C      -2.377223     -2.047582      2.471164
  O      -2.289312     -2.061595      1.010547
  C      -2.822395     -1.032407      0.347508
  N      -3.158698      0.078528      0.981319
  C      -3.784636      1.040547      0.264353
  N      -4.142498      1.009733     -1.007777
  C      -3.782782     -0.126541     -1.684746
  C      -4.150909     -0.287611     -3.039993
  C      -3.780354     -1.449687     -3.694574
  C      -3.054240     -2.432768     -2.993412
  N      -2.706523     -2.331210     -1.710061
  C      -3.068285     -1.196978     -1.064945
  C      -5.807249      0.143626      6.658442
  C      -5.692806     -1.379523      6.920995
  C      -6.790194     -2.189392      6.253273
  O      -6.512063     -2.289738      4.830049
  C      -7.407281     -1.844987      3.941270
  N      -8.544616     -1.280317      4.319372
  C      -9.374392     -0.840486      3.339687
  N      -9.185626     -0.903416      2.034094
  C      -7.998207     -1.458776      1.629594
  C      -7.672150     -1.526961      0.254468
  C      -6.462362     -2.090851     -0.113352
  C      -5.593770     -2.574433      0.884934
  N      -5.856486     -2.522838      2.190689
  C      -7.042914     -1.975041      2.553725
  H      -5.332354      5.035304      3.641049
  H      -6.025837      3.415097      3.596633
  H      -6.775142      5.298434      5.872078
  H      -7.638362      5.169957      4.325202
  H      -8.694384      3.630256      6.009561
  H      -7.095300      2.865497      6.286036
  H     -12.250535      2.225902      4.047903
  H     -10.933267      2.029960     -0.409808
  H      -8.629614      2.041672     -1.488990
  H      -6.625185      2.270163     -0.044266
  H      -1.253155     -0.879185      5.376943
  H      -2.882458     -1.122161      4.742212
  H      -0.456559     -1.812079      3.434220
  H      -1.005150     -0.366942      2.572855
  H      -3.402472     -1.758533      2.740527
  H      -2.241176     -3.110152      2.709748
  H      -4.055521      1.936238      0.835496
  H      -4.729017      0.506349     -3.517239
  H      -4.042962     -1.616929     -4.740345
  H      -2.752190     -3.352646     -3.502993
  H      -6.445348      0.331772      5.785361
  H      -6.323456      0.603022      7.525760
  H      -4.710457     -1.741636      6.580540
  H      -5.755514     -1.584476      8.001812
  H      -7.780938     -1.738846      6.397862
  H      -6.804276     -3.224843      6.622567
  H     -10.297486     -0.354589      3.682564
  H      -8.380101     -1.127351     -0.472448
  H      -6.166516     -2.160103     -1.161292
  H      -4.627754     -3.002414      0.600714
  N      -4.979845      1.185727      3.548979
  N      -5.736594      0.787321      2.585047
  H      -5.356758      0.715748      1.639964
  H      -6.669187      0.423594      2.765174
99
Coordinates from ORCA-job orca E -6533.070081395903
  N      -4.625494      3.650760      5.103977
  Mo     -3.911743      1.766950      4.883994
  N      -4.543462      0.820133      6.482734
  C      -3.723764      0.958133      7.684657
  C      -3.142039      2.366556      7.761253
  N      -2.491319      2.707181      6.469822
  C      -2.472513      4.162923      6.205659
  C      -3.856609      4.674404      5.805951
  C      -1.124565      2.128604      6.331248
  C      -0.986870      1.636497      4.884858
  N      -2.148239      0.822185      4.572250
  H      -3.717939      5.554547      5.149353
  H      -4.403870      5.043325      6.698145
  H      -1.781904      4.317234      5.364060
  H      -2.072212      4.708223      7.080114
  H      -0.045361      1.074997      4.751234
  H      -0.919937      2.513402      4.216049
  H      -1.024693      1.288801      7.032200
  H      -0.366323      2.888212      6.591399
  H      -4.330037      0.775649      8.590030
  H      -2.904304      0.213461      7.692148
  H      -3.958971      3.084619      7.916891
  H      -2.425809      2.464734      8.597350
  C      -5.666753      4.220281      4.255670
  C      -6.949544      4.637672      5.000328
  C      -7.696513      3.413672      5.523703
  O      -7.890599      2.467451      4.437461
  C      -9.023230      2.494933      3.712491
  N     -10.201072      2.513524      4.315040
  C     -11.290240      2.335540      3.525279
  N     -11.334950      2.190232      2.211155
  C     -10.126884      2.231983      1.572654
  C     -10.041801      2.096411      0.165108
  C      -8.794096      2.094981     -0.427607
  C      -7.643796      2.253102      0.378889
  N      -7.682614      2.401244      1.698075
  C      -8.903672      2.380854      2.287368
  C      -1.916893     -0.609745      4.527623
  C      -1.344414     -1.168152      3.188253
  C      -2.391813     -2.008576      2.447414
  O      -2.299599     -2.022880      0.988387
  C      -2.841680     -1.000622      0.320586
  N      -3.187730      0.111124      0.949174
  C      -3.815810      1.066921      0.224595
  N      -4.167171      1.028095     -1.049613
  C      -3.799868     -0.110178     -1.719476
  C      -4.162558     -0.281500     -3.074869
  C      -3.783738     -1.445883     -3.721616
  C      -3.054291     -2.420612     -3.012973
  N      -2.711041     -2.309647     -1.728761
  C      -3.081920     -1.173693     -1.091228
  C      -5.815173      0.140599      6.665014
  C      -5.698147     -1.379863      6.936102
  C      -6.791690     -2.196958      6.270212
  O      -6.512289     -2.304742      4.847502
  C      -7.408384     -1.864285      3.956331
  N      -8.545309     -1.298358      4.333896
  C      -9.374073     -0.855846      3.354206
  N      -9.181662     -0.911542      2.048801
  C      -7.997600     -1.473638      1.644321
  C      -7.666601     -1.531909      0.269732
  C      -6.455895     -2.094006     -0.097903
  C      -5.593570     -2.591101      0.899261
  N      -5.863085     -2.554009      2.204465
  C      -7.047028     -2.000646      2.568211
  H      -5.285923      5.051328      3.630308
  H      -5.991211      3.437853      3.559153
  H      -6.739329      5.304347      5.853197
  H      -7.597234      5.194169      4.303201
  H      -8.667664      3.654674      5.977933
  H      -7.077281      2.872520      6.251510
  H     -12.238905      2.252940      4.060650
  H     -10.963134      1.972451     -0.405789
  H      -8.671930      1.973562     -1.506340
  H      -6.652756      2.247445     -0.087900
  H      -1.239573     -0.890332      5.358211
  H      -2.872693     -1.117356      4.732618
  H      -0.462561     -1.793188      3.395193
  H      -1.011611     -0.333697      2.557859
  H      -3.413486     -1.708945      2.718070
  H      -2.267016     -3.072409      2.687289
  H      -4.093568      1.963896      0.790319
  H      -4.743802      0.505081     -3.560197
  H      -4.043037     -1.620537     -4.767102
  H      -2.744976     -3.341620     -3.516312
  H      -6.438124      0.319961      5.779325
  H      -6.347806      0.605476      7.519201
  H      -4.713665     -1.741189      6.600640
  H      -5.761725     -1.580491      8.017874
  H      -7.784826     -1.750797      6.411411
  H      -6.800732     -3.230092      6.646296
  H     -10.298459     -0.373132      3.697400
  H      -8.369500     -1.122587     -0.456734
  H      -6.154866     -2.151419     -1.145186
  H      -4.626468     -3.016991      0.615254
  N      -4.960934      1.170774      3.573773
  N      -5.712001      0.763151      2.611338
  H      -5.326638      0.670825      1.669788
  H      -6.651981      0.418926      2.794931
99
Coordinates from ORCA-job orca E -6533.074909214604
  N      -4.600667      3.647998      5.090066
  Mo     -3.899289      1.761077      4.914734
  N      -4.549419      0.819503      6.506069
  C      -3.744393      0.959069      7.718623
  C      -3.157724      2.365339      7.795098
  N      -2.491652      2.697831      6.509167
  C      -2.467536      4.152036      6.236814
  C      -3.843157      4.665424      5.814997
  C      -1.127025      2.113542      6.381428
  C      -0.973338      1.639650      4.930418
  N      -2.134828      0.834561      4.593469
  H      -3.689767      5.549516      5.166953
  H      -4.408007      5.031694      6.697118
  H      -1.764415      4.301350      5.404771
  H      -2.078723      4.702791      7.113084
  H      -0.032808      1.076122      4.800353
  H      -0.893952      2.524286      4.273362
  H      -1.042800      1.263597      7.072131
  H      -0.367437      2.864765      6.661573
  H      -4.361239      0.782270      8.617847
  H      -2.928062      0.211290      7.738250
  H      -3.973357      3.087801      7.937035
  H      -2.451378      2.465199      8.639389
  C      -5.630365      4.228951      4.234816
  C      -6.913921      4.647315      4.976417
  C      -7.670562      3.425572      5.491280
  O      -7.867259      2.489806      4.397752
  C      -9.008716      2.512194      3.687076
  N     -10.180170      2.540013      4.302125
  C     -11.277009      2.354143      3.525202
  N     -11.334374      2.186776      2.214149
  C     -10.132688      2.218302      1.562484
  C     -10.060793      2.056655      0.157642
  C      -8.818326      2.048141     -0.446293
  C      -7.660883      2.226124      0.344720
  N      -7.687001      2.398759      1.661663
  C      -8.902744      2.382526      2.263130
  C      -1.907758     -0.597762      4.516778
  C      -1.351255     -1.134485      3.162959
  C      -2.407776     -1.965861      2.425285
  O      -2.311932     -1.984139      0.968205
  C      -2.865405     -0.971464      0.293876
  N      -3.224597      0.140768      0.915689
  C      -3.855868      1.088080      0.182165
  N      -4.199075      1.039439     -1.094107
  C      -3.820823     -0.100532     -1.755441
  C      -4.174868     -0.283396     -3.111492
  C      -3.784075     -1.449519     -3.749116
  C      -3.051084     -2.413916     -3.031129
  N      -2.714905     -2.292202     -1.745630
  C      -3.098222     -1.155108     -1.117104
  C      -5.822176      0.135997      6.672464
  C      -5.699741     -1.382189      6.948679
  C      -6.788285     -2.206247      6.282144
  O      -6.507658     -2.316916      4.859641
  C      -7.406350     -1.879053      3.968623
  N      -8.541644     -1.312445      4.349562
  C      -9.372391     -0.866968      3.373029
  N      -9.181512     -0.916312      2.067351
  C      -8.001516     -1.483348      1.658713
  C      -7.671594     -1.533672      0.283365
  C      -6.462048     -2.095121     -0.088988
  C      -5.601579     -2.603710      0.904046
  N      -5.871622     -2.577601      2.209600
  C      -7.051731     -2.019317      2.578746
  H      -5.237868      5.064481      3.623250
  H      -5.951356      3.455668      3.526227
  H      -6.703434      5.308280      5.833700
  H      -7.555973      5.212487      4.280998
  H      -8.640261      3.672878      5.944897
  H      -7.057806      2.876193      6.218584
  H     -12.222347      2.287141      4.069188
  H     -10.986691      1.919976     -0.402788
  H      -8.707787      1.906523     -1.523700
  H      -6.674545      2.217738     -0.131439
  H      -1.223818     -0.894017      5.336065
  H      -2.861883     -1.107989      4.723459
  H      -0.468469     -1.763825      3.352061
  H      -1.024140     -0.292653      2.539174
  H      -3.425847     -1.656188      2.697459
  H      -2.292450     -3.029950      2.669305
  H      -4.143431      1.985273      0.742110
  H      -4.759167      0.494772     -3.606251
  H      -4.037308     -1.632463     -4.794683
  H      -2.731821     -3.335561     -3.527057
  H      -6.429672      0.306858      5.774450
  H      -6.371864      0.603235      7.514145
  H      -4.712871     -1.740059      6.616361
  H      -5.763465     -1.581215      8.030803
  H      -7.784180     -1.765775      6.421396
  H      -6.791355     -3.238141      6.661696
  H     -10.296372     -0.386954      3.719773
  H      -8.373185     -1.116644     -0.439906
  H      -6.160967     -2.143482     -1.136724
  H      -4.635544     -3.029567      0.616580
  N      -4.942066      1.156555      3.602749
  N      -5.687169      0.738395      2.641616
  H      -5.294724      0.623778      1.705368
  H      -6.635075      0.415617      2.824127
99
Coordinates from ORCA-job orca E -6533.079431496534
  N      -4.571395      3.644283      5.076527
  Mo     -3.886520      1.754334      4.945837
  N      -4.555870      0.820358      6.531657
  C      -3.764829      0.962776      7.753990
  C      -3.171919      2.366499      7.828553
  N      -2.491815      2.689274      6.547277
  C      -2.460500      4.142036      6.266543
  C      -3.827593      4.657149      5.822951
  C      -1.129568      2.098315      6.430038
  C      -0.960254      1.641208      4.975329
  N      -2.122408      0.846102      4.614609
  H      -3.661073      5.544955      5.183247
  H      -4.409716      5.019946      6.695068
  H      -1.745345      4.285930      5.443922
  H      -2.082418      4.697628      7.144443
  H      -0.021445      1.074312      4.849648
  H      -0.868502      2.532476      4.329160
  H      -1.060674      1.238620      7.110367
  H      -0.368530      2.840687      6.729385
  H      -4.392064      0.793296      8.647307
  H      -2.952401      0.211256      7.786285
  H      -3.985692      3.093661      7.957214
  H      -2.474480      2.468516      8.679933
  C      -5.589918      4.232328      4.212032
  C      -6.875244      4.653174      4.948422
  C      -7.640479      3.433921      5.456867
  O      -7.838489      2.506821      4.357176
  C      -8.988185      2.523684      3.660001
  N     -10.153011      2.564494      4.286889
  C     -11.258023      2.374067      3.522929
  N     -11.328375      2.185338      2.215518
  C     -10.132999      2.202579      1.551216
  C     -10.075509      2.017197      0.149079
  C      -8.838843      1.999212     -0.466659
  C      -7.673553      2.191684      0.308687
  N      -7.685614      2.386101      1.623308
  C      -8.895868      2.377061      2.237079
  C      -1.901335     -0.586262      4.505509
  C      -1.364247     -1.100243      3.136355
  C      -2.432681     -1.920671      2.404017
  O      -2.334751     -1.942341      0.948821
  C      -2.899922     -0.939311      0.268324
  N      -3.277239      0.171068      0.884537
  C      -3.911814      1.109706      0.142233
  N      -4.241747      1.053753     -1.137211
  C      -3.847037     -0.085163     -1.791518
  C      -4.185417     -0.276081     -3.150222
  C      -3.777334     -1.441239     -3.780266
  C      -3.042687     -2.395921     -3.052270
  N      -2.719594     -2.266511     -1.763697
  C      -3.120323     -1.130903     -1.142838
  C      -5.829000      0.132526      6.683139
  C      -5.701654     -1.383688      6.963798
  C      -6.786295     -2.213641      6.297647
  O      -6.506037     -2.324548      4.874987
  C      -7.406994     -1.889651      3.983599
  N      -8.542350     -1.323614      4.365603
  C      -9.374750     -0.878891      3.390219
  N      -9.183973     -0.925742      2.084407
  C      -8.005616     -1.495158      1.674487
  C      -7.675804     -1.542518      0.298785
  C      -6.466382     -2.103347     -0.075598
  C      -5.607484     -2.617587      0.915862
  N      -5.878413     -2.596294      2.221536
  C      -7.056299     -2.034498      2.593129
  H      -5.186154      5.071122      3.612817
  H      -5.906085      3.465592      3.494211
  H      -6.664482      5.311063      5.807970
  H      -7.512181      5.224244      4.253108
  H      -8.609588      3.686778      5.908337
  H      -7.034231      2.878149      6.184957
  H     -12.199792      2.325783      4.075371
  H     -11.006590      1.871927     -0.400457
  H      -8.740506      1.839756     -1.542638
  H      -6.692401      2.178977     -0.177640
  H      -1.209545     -0.898368      5.311809
  H      -2.854058     -1.098097      4.715015
  H      -0.480368     -1.733971      3.304651
  H      -1.044133     -0.250767      2.519154
  H      -3.446072     -1.598499      2.679058
  H      -2.328576     -2.985161      2.652004
  H      -4.214385      2.004269      0.698168
  H      -4.771232      0.494431     -3.654780
  H      -4.018875     -1.629743     -4.827643
  H      -2.709554     -3.316089     -3.541883
  H      -6.421204      0.295842      5.773544
  H      -6.394606      0.601084      7.513142
  H      -4.713289     -1.738481      6.632368
  H      -5.763983     -1.581211      8.046325
  H      -7.784393     -1.778556      6.437461
  H      -6.783382     -3.245025      6.678610
  H     -10.300073     -0.402541      3.738141
  H      -8.376932     -1.122727     -0.423269
  H      -6.164919     -2.147555     -1.123433
  H      -4.642513     -3.044796      0.626990
  N      -4.923618      1.138188      3.634787
  N      -5.662942      0.708199      2.675257
  H      -5.261243      0.568590      1.745866
  H      -6.619987      0.409442      2.853233
99
Coordinates from ORCA-job orca E -6533.083789413299
  N      -4.541139      3.642213      5.071953
  Mo     -3.874079      1.749984      4.981160
  N      -4.562693      0.821080      6.560325
  C      -3.785770      0.965493      7.792232
  C      -3.186798      2.366944      7.866672
  N      -2.493619      2.682577      6.590363
  C      -2.455036      4.134598      6.304542
  C      -3.813832      4.650982      5.840320
  C      -1.133195      2.086387      6.482150
  C      -0.947941      1.648194      5.023602
  N      -2.109754      0.862769      4.638155
  H      -3.636290      5.543629      5.210452
  H      -4.413162      5.007402      6.703198
  H      -1.728254      4.275167      5.491712
  H      -2.087824      4.692829      7.185256
  H      -0.010644      1.078506      4.901702
  H      -0.845249      2.546593      4.389420
  H      -1.077813      1.216345      7.150510
  H      -0.371873      2.820105      6.801446
  H      -4.423393      0.802161      8.679207
  H      -2.977266      0.210483      7.836475
  H      -3.999037      3.097854      7.983925
  H      -2.497826      2.470240      8.724651
  C      -5.548938      4.234433      4.197286
  C      -6.838022      4.656331      4.926114
  C      -7.611174      3.438653      5.426260
  O      -7.808194      2.520537      4.319557
  C      -8.964588      2.532465      3.633715
  N     -10.123507      2.587997      4.270079
  C     -11.236119      2.396808      3.517496
  N     -11.317821      2.189661      2.213885
  C     -10.127781      2.190635      1.539382
  C     -10.083841      1.985859      0.139786
  C      -8.852854      1.957655     -0.486583
  C      -7.680097      2.159033      0.274891
  N      -7.678782      2.370337      1.587141
  C      -8.884000      2.369991      2.211692
  C      -1.892029     -0.568307      4.493950
  C      -1.376830     -1.054939      3.107643
  C      -2.456140     -1.868213      2.383780
  O      -2.359673     -1.895336      0.930232
  C      -2.943366     -0.908315      0.240437
  N      -3.347399      0.199721      0.846236
  C      -3.991053      1.122107      0.091100
  N      -4.305432      1.052232     -1.191138
  C      -3.885481     -0.084924     -1.833898
  C      -4.204533     -0.290586     -3.194694
  C      -3.770123     -1.453822     -3.812302
  C      -3.028838     -2.390940     -3.069825
  N      -2.721786     -2.247292     -1.778469
  C      -3.148500     -1.114150     -1.170105
  C      -5.834914      0.126764      6.694106
  C      -5.700964     -1.387826      6.975710
  C      -6.779577     -2.222881      6.305229
  O      -6.496769     -2.331736      4.882841
  C      -7.399722     -1.896557      3.992278
  N      -8.532025     -1.327484      4.378831
  C      -9.366938     -0.880384      3.407229
  N      -9.180982     -0.925701      2.100762
  C      -8.007147     -1.500300      1.685730
  C      -7.682832     -1.546708      0.308719
  C      -6.476875     -2.111414     -0.071679
  C      -5.617614     -2.632859      0.915389
  N      -5.883994     -2.613979      2.222341
  C      -7.056686     -2.045351      2.600239
  H      -5.134887      5.076976      3.610876
  H      -5.857961      3.472971      3.470907
  H      -6.628758      5.311501      5.787949
  H      -7.469532      5.232079      4.229796
  H      -8.580980      3.695357      5.873606
  H      -7.012305      2.876610      6.155773
  H     -12.174875      2.368701      4.076915
  H     -11.019909      1.836205     -0.399888
  H      -8.765828      1.784169     -1.561168
  H      -6.704084      2.141792     -0.221205
  H      -1.189864     -0.895185      5.284741
  H      -2.841457     -1.084708      4.707240
  H      -0.489249     -1.689512      3.251176
  H      -1.069007     -0.195642      2.497618
  H      -3.465094     -1.537552      2.664042
  H      -2.358331     -2.932214      2.636939
  H      -4.315958      2.013106      0.639584
  H      -4.795890      0.466593     -3.712445
  H      -3.996660     -1.652983     -4.861018
  H      -2.674956     -3.308779     -3.549119
  H      -6.410940      0.283656      5.773074
  H      -6.417594      0.593853      7.512742
  H      -4.710040     -1.737143      6.645930
  H      -5.763941     -1.586656      8.057944
  H      -7.780445     -1.793642      6.443666
  H      -6.771402     -3.254407      6.685644
  H     -10.290191     -0.403796      3.759068
  H      -8.384983     -1.122740     -0.409762
  H      -6.178993     -2.153607     -1.120576
  H      -4.656091     -3.064277      0.621581
  N      -4.905399      1.121299      3.672029
  N      -5.638214      0.679821      2.713947
  H      -5.223835      0.514299      1.793468
  H      -6.604108      0.406463      2.883938
99
Coordinates from ORCA-job orca E -6533.088043364409
  N      -4.505578      3.638299      5.064528
  Mo     -3.861676      1.742352      5.015138
  N      -4.570346      0.823561      6.591063
  C      -3.805782      0.971702      7.830756
  C      -3.198136      2.369698      7.901501
  N      -2.493149      2.674606      6.628835
  C      -2.444317      4.125502      6.336034
  C      -3.794165      4.644271      5.851172
  C      -1.135518      2.070514      6.529677
  C      -0.936007      1.647479      5.068686
  N      -2.098665      0.872870      4.660762
  H      -3.605693      5.540061      5.229097
  H      -4.409235      4.996379      6.704613
  H      -1.706401      4.260140      5.532398
  H      -2.086308      4.686613      7.218562
  H      -0.001368      1.072968      4.951207
  H      -0.821689      2.551270      4.444549
  H      -1.094012      1.191977      7.187967
  H      -0.372809      2.794936      6.866508
  H      -4.453201      0.817988      8.712278
  H      -3.002747      0.211846      7.888110
  H      -4.007402      3.105765      8.007264
  H      -2.516214      2.474736      8.764771
  C      -5.502300      4.231470      4.177190
  C      -6.795444      4.658540      4.895634
  C      -7.577575      3.444684      5.390594
  O      -7.773629      2.532073      4.279268
  C      -8.936646      2.538933      3.604621
  N     -10.088889      2.613455      4.250548
  C     -11.210137      2.422360      3.510969
  N     -11.304930      2.194761      2.212018
  C     -10.120925      2.174805      1.526998
  C     -10.092933      1.948671      0.130374
  C      -8.868816      1.905354     -0.507951
  C      -7.687134      2.112422      0.238019
  N      -7.669890      2.342311      1.547593
  C      -8.869359      2.355998      2.183990
  C      -1.886492     -0.556577      4.481681
  C      -1.396283     -1.012959      3.077036
  C      -2.487083     -1.817952      2.361531
  O      -2.393420     -1.845139      0.909427
  C      -2.997883     -0.874016      0.213627
  N      -3.437610      0.225089      0.813673
  C      -4.090648      1.132437      0.048406
  N      -4.381296      1.056807     -1.238375
  C      -3.926913     -0.071521     -1.874919
  C      -4.216813     -0.282530     -3.240702
  C      -3.747014     -1.436741     -3.851486
  C      -3.000104     -2.358307     -3.096680
  N      -2.717903     -2.209020     -1.799803
  C      -3.179433     -1.085336     -1.198551
  C      -5.842022      0.124652      6.710389
  C      -5.705107     -1.388713      6.994578
  C      -6.781035     -2.227217      6.323679
  O      -6.498527     -2.334610      4.901187
  C      -7.401938     -1.901349      4.008823
  N      -8.534240     -1.330373      4.394115
  C      -9.368815     -0.885654      3.421441
  N      -9.181881     -0.933524      2.114979
  C      -8.008797     -1.511020      1.701539
  C      -7.684070     -1.560272      0.324768
  C      -6.478737     -2.127805     -0.054748
  C      -5.621968     -2.650743      0.933169
  N      -5.888916     -2.629766      2.240433
  C      -7.059870     -2.056296      2.617598
  H      -5.077334      5.075057      3.600521
  H      -5.804391      3.472317      3.445656
  H      -6.587571      5.313953      5.757494
  H      -7.420531      5.236710      4.195606
  H      -8.548528      3.706682      5.831934
  H      -6.987187      2.878164      6.123712
  H     -12.144518      2.416641      4.078325
  H     -11.035212      1.796901     -0.397766
  H      -8.794474      1.716204     -1.580757
  H      -6.717545      2.085891     -0.269681
  H      -1.172760     -0.898989      5.254711
  H      -2.832721     -1.077051      4.699551
  H      -0.504346     -1.647233      3.191924
  H      -1.102828     -0.141902      2.476372
  H      -3.491448     -1.480623      2.649237
  H      -2.394260     -2.882141      2.616494
  H      -4.445986      2.012750      0.594581
  H      -4.813213      0.462838     -3.769549
  H      -3.950610     -1.639333     -4.904248
  H      -2.618492     -3.268197     -3.569955
  H      -6.403193      0.276355      5.779480
  H      -6.438783      0.591325      7.518811
  H      -4.713566     -1.735993      6.664247
  H      -5.766670     -1.586553      8.077078
  H      -7.783262     -1.801782      6.463595
  H      -6.768660     -3.258967      6.703435
  H     -10.293092     -0.409709      3.771715
  H      -8.385406     -1.136432     -0.394486
  H      -6.180198     -2.171556     -1.103376
  H      -4.662150     -3.085871      0.639562
  N      -4.889547      1.098647      3.711149
  N      -5.616794      0.645492      2.755688
  H      -5.186540      0.449687      1.846528
  H      -6.592530      0.400152      2.916072
99
Coordinates from ORCA-job orca E -6533.092061885790
  N      -4.472967      3.639985      5.068551
  Mo     -3.851023      1.740808      5.051854
  N      -4.578490      0.825228      6.621143
  C      -3.826612      0.973846      7.868680
  C      -3.211915      2.369031      7.940770
  N      -2.495982      2.669322      6.672952
  C      -2.438399      4.120382      6.379632
  C      -3.779925      4.641551      5.876387
  C      -1.140500      2.059496      6.580812
  C      -0.925461      1.656196      5.116733
  N      -2.087139      0.892089      4.683846
  H      -3.582791      5.543094      5.265602
  H      -4.410784      4.984495      6.721912
  H      -1.689715      4.253258      5.585884
  H      -2.090384      4.680701      7.266418
  H       0.007074      1.078025      5.002853
  H      -0.800250      2.566954      4.505254
  H      -1.111760      1.170808      7.226073
  H      -0.377796      2.774269      6.937719
  H      -4.483694      0.826126      8.744022
  H      -3.028408      0.209885      7.936924
  H      -4.019085      3.108592      8.038399
  H      -2.536825      2.473333      8.809323
  C      -5.459406      4.233664      4.169480
  C      -6.758766      4.661957      4.876142
  C      -7.549591      3.450372      5.361610
  O      -7.743120      2.544750      4.243990
  C      -8.911830      2.546649      3.579124
  N     -10.058104      2.639551      4.232732
  C     -11.187324      2.450781      3.504844
  N     -11.293769      2.206166      2.210352
  C     -10.115146      2.165856      1.516850
  C     -10.102135      1.922458      0.122915
  C      -8.884686      1.864856     -0.526035
  C      -7.695105      2.074340      0.206459
  N      -7.662535      2.318385      1.513097
  C      -8.856386      2.345557      2.160011
  C      -1.875750     -0.534017      4.468325
  C      -1.410187     -0.957941      3.045629
  C      -2.507008     -1.764882      2.342227
  O      -2.416883     -1.799774      0.891705
  C      -3.048017     -0.852824      0.185659
  N      -3.526907      0.237438      0.774897
  C      -4.193590      1.123058     -0.003451
  N      -4.463563      1.034711     -1.292531
  C      -3.973061     -0.085764     -1.917975
  C      -4.238785     -0.309680     -3.285494
  C      -3.731363     -1.455114     -3.884882
  C      -2.972256     -2.353490     -3.115808
  N      -2.710658     -2.191397     -1.815785
  C      -3.208967     -1.076928     -1.226140
  C      -5.847205      0.117638      6.722198
  C      -5.702757     -1.394926      7.003355
  C      -6.772201     -2.236816      6.325525
  O      -6.485881     -2.339624      4.903569
  C      -7.390008     -1.902662      4.012404
  N      -8.516706     -1.324346      4.403691
  C      -9.352795     -0.874632      3.435541
  N      -9.172793     -0.923063      2.128193
  C      -8.006265     -1.508734      1.708379
  C      -7.689908     -1.560086      0.330101
  C      -6.491407     -2.137872     -0.056623
  C      -5.634591     -2.669066      0.926015
  N      -5.893256     -2.646071      2.235402
  C      -7.056642     -2.061668      2.619791
  H      -5.024920      5.080430      3.604982
  H      -5.751687      3.477580      3.430849
  H      -6.554950      5.315643      5.740060
  H      -7.376562      5.243136      4.172280
  H      -8.522640      3.715698      5.795755
  H      -6.968575      2.878082      6.097843
  H     -12.117688      2.466825      4.078973
  H     -11.050294      1.771000     -0.394571
  H      -8.821048      1.663292     -1.597275
  H      -6.732309      2.039343     -0.312047
  H      -1.148167     -0.889077      5.221745
  H      -2.815875     -1.063075      4.691844
  H      -0.510095     -1.585146      3.131287
  H      -1.138017     -0.073901      2.453701
  H      -3.508939     -1.426910      2.636236
  H      -2.411968     -2.827272      2.604383
  H      -4.580787      1.992836      0.537074
  H      -4.845808      0.418454     -3.826138
  H      -3.915273     -1.667133     -4.939327
  H      -2.561274     -3.255528     -3.579375
  H      -6.393657      0.265515      5.782101
  H      -6.459819      0.579209      7.521429
  H      -4.708659     -1.735514      6.673602
  H      -5.765266     -1.596466      8.085053
  H      -7.777045     -1.816848      6.463888
  H      -6.755445     -3.269538      6.702381
  H     -10.272409     -0.393969      3.790242
  H      -8.392092     -1.130815     -0.384899
  H      -6.198925     -2.183567     -1.106785
  H      -4.680942     -3.112931      0.625898
  N      -4.874587      1.084980      3.751635
  N      -5.595896      0.622999      2.797865
  H      -5.146567      0.399495      1.901457
  H      -6.579851      0.405245      2.946443
99
Coordinates from ORCA-job orca E -6533.095828163125
  N      -4.439166      3.641307      5.061362
  Mo     -3.841925      1.737646      5.079735
  N      -4.587245      0.828983      6.645573
  C      -3.846152      0.979773      7.899225
  C      -3.223699      2.371321      7.970044
  N      -2.498156      2.664257      6.705985
  C      -2.430782      4.114981      6.410372
  C      -3.764028      4.638640      5.888952
  C      -1.146054      2.046043      6.622547
  C      -0.915342      1.657151      5.157626
  N      -2.076960      0.904846      4.701493
  H      -3.558598      5.545320      5.288741
  H      -4.409849      4.973116      6.726529
  H      -1.671639      4.244410      5.626157
  H      -2.092193      4.675263      7.300654
  H       0.013662      1.072352      5.050657
  H      -0.775853      2.572152      4.555759
  H      -1.132732      1.149215      7.257038
  H      -0.382209      2.750102      6.998179
  H      -4.512064      0.840328      8.769284
  H      -3.053400      0.211172      7.979079
  H      -4.027864      3.115265      8.059617
  H      -2.554087      2.475453      8.842772
  C      -5.414956      4.234582      4.149941
  C      -6.720060      4.665226      4.844483
  C      -7.518576      3.456581      5.323120
  O      -7.711294      2.556625      4.200270
  C      -8.887711      2.552456      3.548703
  N     -10.025831      2.662832      4.213332
  C     -11.164980      2.476197      3.500737
  N     -11.287473      2.216450      2.210769
  C     -10.116727      2.156952      1.505393
  C     -10.123239      1.898769      0.113761
  C      -8.914627      1.827434     -0.549623
  C      -7.715080      2.036632      0.166137
  N      -7.662767      2.292103      1.470266
  C      -8.848798      2.333534      2.131352
  C      -1.870478     -0.518780      4.457086
  C      -1.427584     -0.917108      3.020333
  C      -2.529939     -1.726552      2.330506
  O      -2.440897     -1.769932      0.881818
  C      -3.090879     -0.839122      0.171184
  N      -3.598007      0.240757      0.759330
  C      -4.269380      1.118196     -0.024144
  N      -4.519261      1.031848     -1.315957
  C      -4.005464     -0.079888     -1.939881
  C      -4.250998     -0.300431     -3.310392
  C      -3.718970     -1.436176     -3.909245
  C      -2.956544     -2.326338     -3.134737
  N      -2.712475     -2.166821     -1.830437
  C      -3.235124     -1.062375     -1.241842
  C      -5.851179      0.111232      6.733512
  C      -5.697346     -1.400604      7.012719
  C      -6.763547     -2.247115      6.336119
  O      -6.481170     -2.343142      4.913218
  C      -7.386531     -1.906143      4.022513
  N      -8.512142     -1.324827      4.414581
  C      -9.348476     -0.876648      3.446312
  N      -9.169081     -0.928181      2.138646
  C      -8.003761     -1.516717      1.718906
  C      -7.689651     -1.572799      0.340417
  C      -6.494008     -2.157221     -0.046809
  C      -5.638929     -2.689825      0.935722
  N      -5.894459     -2.661013      2.246141
  C      -7.055027     -2.070095      2.630823
  H      -4.970943      5.083269      3.596087
  H      -5.697173      3.480561      3.405422
  H      -6.520175      5.318292      5.709701
  H      -7.330775      5.248319      4.136085
  H      -8.493190      3.725425      5.751129
  H      -6.945788      2.879297      6.062133
  H     -12.088656      2.511309      4.084636
  H     -11.079100      1.749039     -0.389936
  H      -8.863876      1.615617     -1.619811
  H      -6.761740      1.993330     -0.367232
  H      -1.130910     -0.885510      5.192402
  H      -2.806195     -1.052775      4.687630
  H      -0.519714     -1.536053      3.080024
  H      -1.176257     -0.022486      2.434945
  H      -3.528767     -1.382648      2.627383
  H      -2.437968     -2.787031      2.602131
  H      -4.677861      1.977854      0.517195
  H      -4.861517      0.422331     -3.854661
  H      -3.886374     -1.645570     -4.966959
  H      -2.526353     -3.220005     -3.597259
  H      -6.387058      0.255919      5.786978
  H      -6.476456      0.566094      7.526614
  H      -4.702953     -1.735572      6.677839
  H      -5.753997     -1.603358      8.094519
  H      -7.770193     -1.833851      6.480761
  H      -6.738680     -3.281328      6.708538
  H     -10.268405     -0.395633      3.800335
  H      -8.391804     -1.143775     -0.374619
  H      -6.203546     -2.207723     -1.097294
  H      -4.689455     -3.141333      0.634384
  N      -4.862345      1.070462      3.782766
  N      -5.578845      0.601428      2.829528
  H      -5.109468      0.349195      1.947320
  H      -6.571888      0.413612      2.964640
99
Coordinates from ORCA-job orca E -6533.099344444519
  N      -4.408623      3.646988      5.060392
  Mo     -3.834104      1.739313      5.107854
  N      -4.596361      0.831867      6.666823
  C      -3.867876      0.982130      7.927889
  C      -3.239802      2.371024      8.001961
  N      -2.504116      2.661152      6.743063
  C      -2.428506      4.112381      6.449444
  C      -3.753742      4.638201      5.910838
  C      -1.154992      2.035858      6.668952
  C      -0.905576      1.663689      5.203483
  N      -2.065369      0.923624      4.721334
  H      -3.541509      5.552182      5.324348
  H      -4.415105      4.960343      6.741015
  H      -1.658557      4.241458      5.675872
  H      -2.101184      4.670549      7.345089
  H       0.020186      1.072588      5.104587
  H      -0.750743      2.583545      4.612972
  H      -1.157822      1.129775      7.290332
  H      -0.391514      2.728573      7.066181
  H      -4.543542      0.848075      8.791359
  H      -3.080053      0.209496      8.018681
  H      -4.041912      3.118009      8.085164
  H      -2.576387      2.473388      8.879554
  C      -5.373587      4.240761      4.137733
  C      -6.686319      4.668840      4.819170
  C      -7.491545      3.460908      5.286312
  O      -7.683044      2.569925      4.155554
  C      -8.866845      2.559765      3.517365
  N      -9.996896      2.684086      4.193187
  C     -11.145606      2.500347      3.495696
  N     -11.283879      2.229775      2.209715
  C     -10.121207      2.154620      1.492452
  C     -10.147447      1.886515      0.102912
  C      -8.948025      1.805134     -0.575445
  C      -7.738520      2.012532      0.123542
  N      -7.666400      2.274306      1.425599
  C      -8.844273      2.327023      2.101587
  C      -1.860997     -0.496490      4.447650
  C      -1.441303     -0.871127      2.998048
  C      -2.547331     -1.688595      2.325686
  O      -2.462859     -1.746119      0.878290
  C      -3.132737     -0.833706      0.161613
  N      -3.663352      0.239039      0.745532
  C      -4.339163      1.107239     -0.044679
  N      -4.573308      1.017747     -1.338152
  C      -4.042428     -0.089829     -1.956772
  C      -4.273937     -0.313458     -3.328261
  C      -3.723156     -1.443790     -3.922299
  C      -2.956979     -2.323670     -3.140524
  N      -2.724927     -2.160701     -1.834188
  C      -3.266219     -1.062039     -1.250567
  C      -5.853216      0.099989      6.738230
  C      -5.682924     -1.410056      7.013492
  C      -6.740445     -2.264384      6.332705
  O      -6.456000     -2.353202      4.910093
  C      -7.363055     -1.911168      4.022796
  N      -8.481532     -1.321385      4.422935
  C      -9.320772     -0.867314      3.460295
  N      -9.150778     -0.919878      2.151335
  C      -7.993193     -1.517251      1.723279
  C      -7.690486     -1.577603      0.342612
  C      -6.503869     -2.175078     -0.053133
  C      -5.647140     -2.715390      0.923250
  N      -5.890752     -2.681363      2.236146
  C      -7.042411     -2.078330      2.629191
  H      -4.921395      5.093731      3.597356
  H      -5.642388      3.490290      3.384967
  H      -6.493123      5.318541      5.688343
  H      -7.289490      5.255231      4.107121
  H      -8.467918      3.731270      5.708809
  H      -6.926622      2.876621      6.026044
  H     -12.062628      2.551624      4.089244
  H     -11.110971      1.739380     -0.386758
  H      -8.910127      1.587086     -1.644861
  H      -6.794444      1.963477     -0.425122
  H      -1.108391     -0.872792      5.164298
  H      -2.790900     -1.037277      4.685904
  H      -0.523946     -1.477941      3.031214
  H      -1.215629      0.033580      2.417764
  H      -3.543268     -1.340172      2.625144
  H      -2.455809     -2.745645      2.611014
  H      -4.763415      1.961532      0.493371
  H      -4.887965      0.402653     -3.877323
  H      -3.878778     -1.655695     -4.981269
  H      -2.512147     -3.212438     -3.598691
  H      -6.378644      0.239927      5.785133
  H      -6.493875      0.544958      7.524568
  H      -4.685390     -1.733110      6.676025
  H      -5.736245     -1.616892      8.094683
  H      -7.751151     -1.860827      6.477752
  H      -6.706021     -3.299548      6.701629
  H     -10.235064     -0.380588      3.820175
  H      -8.394377     -1.143361     -0.367492
  H      -6.222295     -2.230233     -1.105774
  H      -4.705855     -3.178836      0.614438
  N      -4.848629      1.065821      3.809148
  N      -5.558594      0.593415      2.853539
  H      -5.068286      0.316032      1.985858
  H      -6.558335      0.435703      2.972394
99
Coordinates from ORCA-job orca E -6533.102605272743
  N      -4.382701      3.652875      5.062103
  Mo     -3.828856      1.741446      5.134040
  N      -4.603893      0.832379      6.686958
  C      -3.886135      0.980712      7.954330
  C      -3.254516      2.367222      8.033077
  N      -2.511155      2.657416      6.778649
  C      -2.429828      4.109634      6.489380
  C      -3.748682      4.636655      5.936472
  C      -1.164735      2.026328      6.712629
  C      -0.897296      1.671436      5.247043
  N      -2.054162      0.943084      4.739087
  H      -3.532191      5.559415      5.365563
  H      -4.424768      4.943502      6.760461
  H      -1.650295      4.240592      5.725853
  H      -2.113836      4.664766      7.390856
  H       0.025515      1.074633      5.155823
  H      -0.727659      2.596359      4.668541
  H      -1.182856      1.110761      7.319706
  H      -0.402358      2.707673      7.131485
  H      -4.570249      0.850265      8.811829
  H      -3.102534      0.204716      8.053950
  H      -4.055308      3.116097      8.112665
  H      -2.595859      2.467165      8.914503
  C      -5.338172      4.247939      4.130383
  C      -6.659071      4.670297      4.799173
  C      -7.469867      3.461206      5.251427
  O      -7.660800      2.583902      4.108984
  C      -8.851920      2.569447      3.484185
  N      -9.973968      2.704806      4.171171
  C     -11.131596      2.525875      3.487858
  N     -11.285471      2.249026      2.204998
  C     -10.130942      2.161281      1.476062
  C     -10.176310      1.888121      0.087909
  C      -8.985930      1.799847     -0.605193
  C      -7.767119      2.003816      0.078096
  N      -7.675840      2.266689      1.379131
  C      -8.845533      2.327690      2.069670
  C      -1.848679     -0.472454      4.436259
  C      -1.449741     -0.822549      2.974746
  C      -2.553833     -1.654004      2.318675
  O      -2.473483     -1.726688      0.871952
  C      -3.161075     -0.831668      0.148989
  N      -3.708352      0.236976      0.727657
  C      -4.387892      1.096727     -0.068668
  N      -4.612927      1.001080     -1.362792
  C      -4.073141     -0.106541     -1.974636
  C      -4.300388     -0.337971     -3.344808
  C      -3.739388     -1.467334     -3.932716
  C      -2.968166     -2.336984     -3.144795
  N      -2.739693     -2.166454     -1.838532
  C      -3.291254     -1.068931     -1.261024
  C      -5.851485      0.083809      6.745768
  C      -5.663560     -1.425414      7.013182
  C      -6.716776     -2.285924      6.333935
  O      -6.439010     -2.361480      4.909601
  C      -7.347417     -1.913520      4.026431
  N      -8.461834     -1.318073      4.430382
  C      -9.301199     -0.859633      3.469757
  N      -9.134233     -0.912493      2.160092
  C      -7.980797     -1.515867      1.728960
  C      -7.682765     -1.580328      0.347337
  C      -6.502253     -2.188378     -0.051106
  C      -5.646791     -2.733758      0.923434
  N      -5.884904     -2.694043      2.237269
  C      -7.031186     -2.081937      2.632697
  H      -4.879567      5.106656      3.604743
  H      -5.592228      3.502124      3.368109
  H      -6.473738      5.314591      5.674075
  H      -7.255180      5.261300      4.085043
  H      -8.447605      3.731338      5.670431
  H      -6.911662      2.867406      5.988857
  H     -12.041668      2.590438      4.090691
  H     -11.147168      1.744775     -0.388307
  H      -8.959772      1.579176     -1.674561
  H      -6.831823      1.950932     -0.484988
  H      -1.082400     -0.855990      5.134082
  H      -2.771228     -1.022790      4.681567
  H      -0.520203     -1.411389      2.981497
  H      -1.255056      0.092966      2.400155
  H      -3.548707     -1.305270      2.619079
  H      -2.458764     -2.706841      2.618378
  H      -4.821718      1.949354      0.464408
  H      -4.919171      0.371608     -3.897231
  H      -3.890858     -1.685621     -4.990996
  H      -2.515485     -3.224561     -3.597766
  H      -6.371338      0.222505      5.789464
  H      -6.503927      0.514862      7.530137
  H      -4.665702     -1.737043      6.665943
  H      -5.706330     -1.637246      8.093901
  H      -7.730101     -1.893062      6.489022
  H      -6.669829     -3.323578      6.694420
  H     -10.213254     -0.370053      3.831676
  H      -8.386045     -1.142813     -0.361369
  H      -6.224967     -2.248433     -1.104629
  H      -4.711746     -3.208173      0.612506
  N      -4.837099      1.066644      3.830235
  N      -5.539522      0.595203      2.868404
  H      -5.028599      0.297825      2.013980
  H      -6.546610      0.468280      2.967954
99
Coordinates from ORCA-job orca E -6533.105607326581
  N      -4.356953      3.661355      5.065238
  Mo     -3.824119      1.746218      5.158469
  N      -4.612207      0.833670      6.703192
  C      -3.907584      0.978903      7.978484
  C      -3.272660      2.363498      8.063948
  N      -2.520274      2.654575      6.814888
  C      -2.433047      4.107904      6.531277
  C      -3.745137      4.636380      5.964567
  C      -1.176658      2.017623      6.758190
  C      -0.889665      1.678995      5.293065
  N      -2.043237      0.963085      4.759148
  H      -3.525114      5.568693      5.410853
  H      -4.436313      4.926146      6.781974
  H      -1.643726      4.241376      5.778421
  H      -2.129315      4.659459      7.439038
  H       0.029801      1.075875      5.210954
  H      -0.703896      2.608291      4.726454
  H      -1.210765      1.092824      7.350384
  H      -0.416185      2.687163      7.199203
  H      -4.601669      0.851426      8.828511
  H      -3.128703      0.199392      8.087814
  H      -4.072255      3.114115      8.139739
  H      -2.619662      2.460459      8.949869
  C      -5.302402      4.258969      4.124937
  C      -6.632306      4.674045      4.779868
  C      -7.449125      3.463466      5.214431
  O      -7.640217      2.602102      4.059385
  C      -8.838593      2.582598      3.448670
  N      -9.952739      2.725620      4.147129
  C     -11.118798      2.549276      3.478203
  N     -11.287728      2.267160      2.198447
  C     -10.141389      2.169954      1.457648
  C     -10.205031      1.891497      0.071410
  C      -9.023497      1.797594     -0.636049
  C      -7.796013      1.999235      0.031625
  N      -7.686814      2.263739      1.331141
  C      -8.848172      2.332374      2.035807
  C      -1.837466     -0.447531      4.429739
  C      -1.464094     -0.774260      2.956718
  C      -2.566476     -1.622896      2.322176
  O      -2.495887     -1.711330      0.876218
  C      -3.199203     -0.831685      0.148012
  N      -3.756089      0.237331      0.719476
  C      -4.434205      1.091148     -0.084947
  N      -4.649907      0.988224     -1.379883
  C      -4.108173     -0.123763     -1.982472
  C      -4.330252     -0.363999     -3.351660
  C      -3.765625     -1.496759     -3.930456
  C      -2.996104     -2.359771     -3.133907
  N      -2.771882     -2.180559     -1.828081
  C      -3.327584     -1.079936     -1.259300
  C      -5.848742      0.065573      6.745453
  C      -5.636720     -1.440752      7.006840
  C      -6.678844     -2.312810      6.324374
  O      -6.400693     -2.378725      4.899817
  C      -7.311100     -1.922109      4.022729
  N      -8.416169     -1.317001      4.437003
  C      -9.258938     -0.848771      3.484059
  N      -9.103551     -0.900347      2.172974
  C      -7.960258     -1.514356      1.730790
  C      -7.676440     -1.582649      0.346403
  C      -6.507920     -2.205897     -0.062793
  C      -5.649111     -2.760609      0.903728
  N      -5.872670     -2.715765      2.219978
  C      -7.008142     -2.090808      2.625950
  H      -4.837883      5.124429      3.615767
  H      -5.539904      3.518813      3.351765
  H      -6.456173      5.311309      5.661816
  H      -7.220544      5.270783      4.064085
  H      -8.427814      3.733241      5.630925
  H      -6.897347      2.858461      5.947661
  H     -12.022025      2.623058      4.090573
  H     -11.182610      1.750255     -0.391493
  H      -9.009263      1.574055     -1.704947
  H      -6.868323      1.942802     -0.543899
  H      -1.056366     -0.837126      5.107125
  H      -2.752081     -1.007197      4.684129
  H      -0.521712     -1.341797      2.933454
  H      -1.305972      0.151221      2.386764
  H      -3.560428     -1.275957      2.626514
  H      -2.464186     -2.670914      2.636311
  H      -4.870643      1.948215      0.438936
  H      -4.947586      0.342094     -3.910081
  H      -3.912561     -1.722199     -4.987852
  H      -2.540471     -3.249618     -3.579509
  H      -6.361141      0.198974      5.784344
  H      -6.516712      0.481756      7.524794
  H      -4.635414     -1.734951      6.654327
  H      -5.672642     -1.658118      8.086710
  H      -7.697417     -1.933976      6.481132
  H      -6.617531     -3.351179      6.680407
  H     -10.163235     -0.351653      3.854290
  H      -8.381555     -1.137766     -0.355934
  H      -6.242377     -2.270874     -1.119010
  H      -4.724133     -3.248830      0.584221
  N      -4.823815      1.074422      3.845169
  N      -5.516549      0.606267      2.875360
  H      -4.988990      0.293589      2.032395
  H      -6.528369      0.510523      2.954293
99
Coordinates from ORCA-job orca E -6533.108375082589
  N      -4.341777      3.670067      5.079143
  Mo     -3.826166      1.751673      5.185574
  N      -4.619089      0.831311      6.724270
  C      -3.922737      0.970711      8.004663
  C      -3.286363      2.353507      8.097936
  N      -2.530561      2.649579      6.852011
  C      -2.441360      4.104865      6.577361
  C      -3.750191      4.634317      6.003496
  C      -1.189275      2.008924      6.798985
  C      -0.888696      1.689282      5.333112
  N      -2.038548      0.984533      4.775285
  H      -3.530682      5.577838      5.468910
  H      -4.453694      4.903450      6.817183
  H      -1.645707      4.243991      5.832327
  H      -2.147293      4.651154      7.491429
  H       0.028482      1.082222      5.254921
  H      -0.691114      2.624583      4.780281
  H      -1.234990      1.074318      7.374787
  H      -0.430543      2.667269      7.259571
  H      -4.623529      0.843325      8.849328
  H      -3.147473      0.188242      8.118560
  H      -4.085428      3.104553      8.175331
  H      -2.635416      2.446084      8.985780
  C      -5.281082      4.272030      4.135088
  C      -6.619682      4.676617      4.778104
  C      -7.442236      3.462469      5.188747
  O      -7.633406      2.624960      4.015473
  C      -8.837443      2.604417      3.416005
  N      -9.945627      2.752944      4.122750
  C     -11.117679      2.581464      3.463523
  N     -11.297919      2.297829      2.185637
  C     -10.157612      2.192746      1.436502
  C     -10.234034      1.910355      0.051671
  C      -9.058719      1.810628     -0.665579
  C      -7.825362      2.009420     -0.008583
  N      -7.703833      2.274903      1.289875
  C      -8.859023      2.350286      2.004183
  C      -1.825663     -0.418695      4.413855
  C      -1.471335     -0.716304      2.929430
  C      -2.557465     -1.593760      2.306931
  O      -2.486078     -1.700054      0.861898
  C      -3.204934     -0.840126      0.125041
  N      -3.771000      0.229029      0.687137
  C      -4.455604      1.070900     -0.123757
  N      -4.672280      0.953289     -1.417382
  C      -4.128615     -0.163919     -2.008900
  C      -4.358975     -0.423143     -3.372989
  C      -3.791855     -1.560462     -3.941000
  C      -3.012356     -2.408670     -3.138192
  N      -2.780813     -2.212018     -1.836117
  C      -3.338881     -1.106639     -1.277780
  C      -5.842793      0.042236      6.755670
  C      -5.607495     -1.462734      7.003910
  C      -6.644424     -2.341779      6.322934
  O      -6.375035     -2.390238      4.896342
  C      -7.286052     -1.920867      4.027117
  N      -8.383478     -1.307138      4.448399
  C      -9.226058     -0.828068      3.500350
  N      -9.076690     -0.877704      2.188339
  C      -7.941462     -1.501926      1.739531
  C      -7.665667     -1.573520      0.353468
  C      -6.506545     -2.209815     -0.061580
  C      -5.647260     -2.772338      0.900504
  N      -5.863003     -2.723334      2.217683
  C      -6.990507     -2.087603      2.629059
  H      -4.813496      5.145995      3.643432
  H      -5.502898      3.539712      3.349544
  H      -6.453468      5.303478      5.669455
  H      -7.200420      5.281811      4.063384
  H      -8.421483      3.729782      5.605111
  H      -6.896463      2.841834      5.913526
  H     -12.015669      2.662696      4.082399
  H     -11.216327      1.771437     -0.401890
  H      -9.052222      1.584034     -1.734031
  H      -6.902166      1.948564     -0.591398
  H      -1.028862     -0.811196      5.070607
  H      -2.729015     -0.994369      4.673482
  H      -0.511686     -1.252240      2.878788
  H      -1.356724      0.220617      2.367792
  H      -3.557162     -1.260975      2.607773
  H      -2.438027     -2.635318      2.636175
  H      -4.896596      1.931290      0.390713
  H      -4.985229      0.272363     -3.935019
  H      -3.944525     -1.800852     -4.994287
  H      -2.555086     -3.301944     -3.575328
  H      -6.354213      0.175679      5.794163
  H      -6.520546      0.439153      7.536662
  H      -4.606517     -1.740764      6.637588
  H      -5.628726     -1.688447      8.082442
  H      -7.665999     -1.976778      6.491930
  H      -6.567263     -3.382961      6.667278
  H     -10.124377     -0.323985      3.875894
  H      -8.369903     -1.121766     -0.345468
  H      -6.248183     -2.278841     -1.119317
  H      -4.729765     -3.272224      0.577155
  N      -4.819668      1.088826      3.863094
  N      -5.503448      0.628116      2.883239
  H      -4.963567      0.305594      2.047332
  H      -6.520357      0.566569      2.940058
99
Coordinates from ORCA-job orca E -6533.110961850244
  N      -4.315560      3.676871      5.081219
  Mo     -3.822483      1.754900      5.206342
  N      -4.626681      0.832806      6.738762
  C      -3.942923      0.969137      8.026529
  C      -3.302420      2.349626      8.125498
  N      -2.538659      2.645386      6.884037
  C      -2.443370      4.101471      6.613716
  C      -3.745758      4.632227      6.028051
  C      -1.200308      1.998982      6.839785
  C      -0.883008      1.691374      5.375476
  N      -2.029928      0.998524      4.796245
  H      -3.524509      5.584692      5.510337
  H      -4.463235      4.884116      6.834764
  H      -1.639433      4.241817      5.877974
  H      -2.160134      4.645253      7.532658
  H       0.030523      1.077868      5.305821
  H      -0.670578      2.629305      4.832406
  H      -1.259831      1.057300      7.402762
  H      -0.443624      2.646771      7.318382
  H      -4.653774      0.845898      8.863513
  H      -3.173463      0.182400      8.150140
  H      -4.099857      3.102761      8.199761
  H      -2.656032      2.439473      9.016901
  C      -5.245560      4.282582      4.130277
  C      -6.592564      4.679700      4.759336
  C      -7.421237      3.463593      5.149485
  O      -7.614374      2.646783      3.961410
  C      -8.825720      2.621279      3.376963
  N      -9.925610      2.777168      4.094987
  C     -11.105589      2.606496      3.450091
  N     -11.300965      2.315983      2.175979
  C     -10.169088      2.200742      1.415266
  C     -10.262323      1.909047      0.033528
  C      -9.095561      1.800850     -0.696880
  C      -7.854140      1.998514     -0.055618
  N      -7.716871      2.270524      1.240523
  C      -8.863612      2.356523      1.967500
  C      -1.818288     -0.398907      4.410895
  C      -1.495975     -0.670572      2.915407
  C      -2.576569     -1.568832      2.315301
  O      -2.518288     -1.685063      0.871003
  C      -3.247819     -0.835448      0.131496
  N      -3.817538      0.236388      0.686566
  C      -4.497669      1.074809     -0.132381
  N      -4.705194      0.951521     -1.427290
  C      -4.163348     -0.171261     -2.009709
  C      -4.386504     -0.437284     -3.373780
  C      -3.820600     -1.580150     -3.932157
  C      -3.048789     -2.426482     -3.120081
  N      -2.822903     -2.222777     -1.818123
  C      -3.380440     -1.112046     -1.269000
  C      -5.837862      0.023417      6.755523
  C      -5.578228     -1.478234      6.996914
  C      -6.604767     -2.369708      6.315534
  O      -6.338834     -2.409031      4.887990
  C      -7.250346     -1.929382      4.024680
  N      -8.339151     -1.305846      4.453241
  C      -9.182942     -0.817054      3.510821
  N      -9.041777     -0.866317      2.197809
  C      -7.916043     -1.502111      1.741354
  C      -7.651639     -1.579408      0.353240
  C      -6.503750     -2.230239     -0.069271
  C      -5.642003     -2.799268      0.887256
  N      -5.846727     -2.744123      2.205950
  C      -6.964821     -2.096670      2.624518
  H      -4.773472      5.163292      3.655131
  H      -5.451259      3.556972      3.333938
  H      -6.435913      5.298373      5.658207
  H      -7.165166      5.291758      4.043975
  H      -8.400301      3.730005      5.566444
  H      -6.880814      2.829119      5.866469
  H     -11.996381      2.696570      4.078151
  H     -11.250448      1.770932     -0.407508
  H      -9.102168      1.568060     -1.763863
  H      -6.936952      1.930716     -0.647362
  H      -1.005562     -0.796583      5.044046
  H      -2.712938     -0.983734      4.680806
  H      -0.523690     -1.178615      2.829212
  H      -1.425966      0.275610      2.362014
  H      -3.577228     -1.245648      2.623957
  H      -2.441647     -2.605709      2.653597
  H      -4.938895      1.941507      0.371709
  H      -5.005916      0.257983     -3.943478
  H      -3.967836     -1.826048     -4.984986
  H      -2.592322     -3.323907     -3.549684
  H      -6.343798      0.152083      5.790590
  H      -6.529052      0.404078      7.532885
  H      -4.575450     -1.738361      6.622330
  H      -5.589161     -1.709006      8.074549
  H      -7.631041     -2.020143      6.488725
  H      -6.511007     -3.411079      6.654936
  H     -10.074148     -0.304908      3.892444
  H      -8.356200     -1.121475     -0.341496
  H      -6.255377     -2.305314     -1.129026
  H      -4.733256     -3.311482      0.558427
  N      -4.807165      1.098953      3.872486
  N      -5.479364      0.643977      2.882418
  H      -4.931943      0.313106      2.052582
  H      -6.499276      0.616606      2.915556
99
Coordinates from ORCA-job orca E -6533.113377073184
  N      -4.297743      3.684792      5.093441
  Mo     -3.825155      1.759372      5.229447
  N      -4.635565      0.833576      6.756997
  C      -3.960865      0.964896      8.050040
  C      -3.315408      2.342598      8.154899
  N      -2.547560      2.639537      6.916219
  C      -2.447349      4.096809      6.652223
  C      -3.745903      4.629931      6.061032
  C      -1.212438      1.987676      6.875717
  C      -0.884640      1.693312      5.411589
  N      -2.029601      1.012266      4.813872
  H      -3.525547      5.591748      5.560642
  H      -4.473747      4.863577      6.863705
  H      -1.638492      4.239302      5.922483
  H      -2.170843      4.636650      7.575445
  H       0.025597      1.074674      5.345351
  H      -0.660932      2.634778      4.879087
  H      -1.282256      1.039209      7.426090
  H      -0.456513      2.625336      7.368744
  H      -4.679516      0.844938      8.880904
  H      -3.197273      0.173480      8.179835
  H      -4.110627      3.098005      8.229691
  H      -2.670798      2.428087      9.047884
  C      -5.222127      4.295510      4.140209
  C      -6.577095      4.682985      4.757832
  C      -7.412420      3.464186      5.123350
  O      -7.608338      2.672669      3.918404
  C      -8.825384      2.644389      3.346306
  N      -9.918978      2.806336      4.072305
  C     -11.104785      2.637568      3.437609
  N     -11.311359      2.342227      2.166625
  C     -10.185734      2.217713      1.397883
  C     -10.290657      1.916563      0.019155
  C      -9.129998      1.798020     -0.719566
  C      -7.883179      1.993892     -0.089226
  N      -7.735359      2.273849      1.204034
  C      -8.875598      2.371323      1.938845
  C      -1.815662     -0.377330      4.399878
  C      -1.516260     -0.617036      2.894561
  C      -2.576098     -1.545522      2.304663
  O      -2.515346     -1.674414      0.862087
  C      -3.253954     -0.839019      0.115800
  N      -3.828511      0.234673      0.662278
  C      -4.513403      1.062866     -0.162609
  N      -4.721228      0.927173     -1.456173
  C      -4.178307     -0.200177     -2.028801
  C      -4.406594     -0.481919     -3.388719
  C      -3.840118     -1.629550     -3.936848
  C      -3.063044     -2.464984     -3.118636
  N      -2.832613     -2.246732     -1.819931
  C      -3.390352     -1.131068     -1.280908
  C      -5.834277      0.005647      6.760705
  C      -5.551957     -1.492715      6.993144
  C      -6.568913     -2.394466      6.310425
  O      -6.305974     -2.425376      4.882203
  C      -7.217094     -1.932240      4.026165
  N      -8.295782     -1.298906      4.464423
  C      -9.140725     -0.797714      3.529724
  N      -9.010257     -0.845149      2.215701
  C      -7.895581     -1.492622      1.749023
  C      -7.644962     -1.573604      0.358620
  C      -6.508293     -2.236717     -0.073835
  C      -5.642247     -2.812482      0.875019
  N      -5.834570     -2.754543      2.195284
  C      -6.942900     -2.097075      2.623485
  H      -4.748020      5.184025      3.681772
  H      -5.413363      3.578279      3.332563
  H      -6.430132      5.290779      5.665671
  H      -7.141570      5.304133      4.044001
  H      -8.390710      3.728726      5.542825
  H      -6.877410      2.813053      5.829547
  H     -11.990193      2.734448      4.072321
  H     -11.282614      1.779244     -0.413310
  H      -9.146028      1.557359     -1.784649
  H      -6.969505      1.917035     -0.685230
  H      -0.989009     -0.779405      5.011248
  H      -2.700605     -0.975155      4.673957
  H      -0.528603     -1.088033      2.778431
  H      -1.494510      0.339110      2.354643
  H      -3.584309     -1.242863      2.610799
  H      -2.418172     -2.575542      2.653888
  H      -4.958278      1.933052      0.332059
  H      -5.030921      0.205016     -3.963135
  H      -3.991192     -1.887702     -4.986124
  H      -2.606588     -3.366178     -3.540152
  H      -6.336325      0.131672      5.793528
  H      -6.536489      0.369907      7.536044
  H      -4.548062     -1.735578      6.609891
  H      -5.552579     -1.729695      8.069397
  H      -7.599362     -2.058827      6.486926
  H      -6.460082     -3.435951      6.644482
  H     -10.022555     -0.276168      3.919558
  H      -8.350920     -1.108880     -0.330144
  H      -6.271228     -2.315618     -1.135815
  H      -4.741359     -3.333552      0.538736
  N      -4.804729      1.113587      3.886037
  N      -5.467649      0.666517      2.886520
  H      -4.917583      0.331912      2.057695
  H      -6.488329      0.676869      2.896001
99
Coordinates from ORCA-job orca E -6533.115629772204
  N      -4.274148      3.689051      5.098703
  Mo     -3.825001      1.759944      5.248706
  N      -4.644561      0.836567      6.774135
  C      -3.979092      0.965195      8.072059
  C      -3.326038      2.338809      8.179559
  N      -2.553050      2.632679      6.943363
  C      -2.445317      4.090291      6.681793
  C      -3.738932      4.626150      6.083442
  C      -1.221710      1.973723      6.908454
  C      -0.884240      1.687468      5.445692
  N      -2.028234      1.018012      4.832856
  H      -3.518313      5.595147      5.597345
  H      -4.476533      4.845530      6.881201
  H      -1.631518      4.231147      5.957348
  H      -2.174024      4.628359      7.607585
  H       0.022119      1.062700      5.383706
  H      -0.649120      2.630604      4.920878
  H      -1.301888      1.020950      7.450156
  H      -0.465842      2.602599      7.412735
  H      -4.706252      0.852444      8.896695
  H      -3.223025      0.167936      8.210362
  H      -4.117629      3.098172      8.252870
  H      -2.683358      2.420819      9.074192
  C      -5.192559      4.303941      4.142414
  C      -6.554987      4.683183      4.748705
  C      -7.396737      3.462533      5.091784
  O      -7.597041      2.695226      3.871583
  C      -8.820456      2.662397      3.313591
  N      -9.906436      2.834658      4.048216
  C     -11.099140      2.667434      3.425581
  N     -11.319073      2.363225      2.159093
  C     -10.200883      2.224388      1.381614
  C     -10.319483      1.909821      0.007035
  C      -9.166151      1.776282     -0.740943
  C      -7.912557      1.969555     -0.123937
  N      -7.752420      2.262189      1.165616
  C      -8.885187      2.375680      1.909116
  C      -1.815218     -0.363780      4.391111
  C      -1.542386     -0.570408      2.876304
  C      -2.582600     -1.525804      2.296192
  O      -2.524000     -1.660484      0.854539
  C      -3.270303     -0.834649      0.105587
  N      -3.850331      0.238522      0.647678
  C      -4.538637      1.059901     -0.180954
  N      -4.743446      0.918701     -1.474651
  C      -4.196929     -0.209699     -2.042036
  C      -4.423079     -0.498433     -3.400796
  C      -3.853656     -1.647609     -3.943003
  C      -3.075652     -2.477555     -3.120157
  N      -2.846504     -2.252363     -1.822288
  C      -3.406969     -1.135084     -1.289251
  C      -5.832796     -0.006280      6.766810
  C      -5.534113     -1.502336      6.992975
  C      -6.545150     -2.413449      6.313955
  O      -6.288371     -2.440687      4.884700
  C      -7.196997     -1.936446      4.032881
  N      -8.269747     -1.295658      4.474569
  C      -9.111755     -0.784687      3.542270
  N      -8.983775     -0.830988      2.227775
  C      -7.875740     -1.488081      1.758126
  C      -7.629880     -1.572476      0.366957
  C      -6.499770     -2.244795     -0.068355
  C      -5.634380     -2.825263      0.878449
  N      -5.822901     -2.764667      2.199045
  C      -6.925807     -2.099574      2.629808
  H      -4.716667      5.199100      3.698925
  H      -5.370343      3.594363      3.325042
  H      -6.417278      5.281600      5.664219
  H      -7.111502      5.312476      4.035791
  H      -8.373631      3.725701      5.515091
  H      -6.866642      2.795633      5.787144
  H     -11.977960      2.776125      4.067374
  H     -11.315884      1.774333     -0.415803
  H      -9.194691      1.525091     -1.803336
  H      -7.003388      1.879687     -0.725172
  H      -0.975443     -0.772186      4.979571
  H      -2.692085     -0.971664      4.669410
  H      -0.541749     -1.003402      2.727440
  H      -1.569773      0.395188      2.353896
  H      -3.596900     -1.245465      2.604497
  H      -2.400003     -2.549979      2.650857
  H      -4.987929      1.931114      0.308185
  H      -5.048222      0.184095     -3.979571
  H      -4.003255     -1.911140     -4.991199
  H      -2.617158     -3.379958     -3.536995
  H      -6.330563      0.118995      5.797493
  H      -6.543985      0.344757      7.540147
  H      -4.530891     -1.733479      6.600286
  H      -5.523594     -1.741998      8.068567
  H      -7.578156     -2.088786      6.495794
  H      -6.422928     -3.454392      6.644839
  H      -9.988297     -0.256016      3.934861
  H      -8.334164     -1.103006     -0.320346
  H      -6.267142     -2.327217     -1.131110
  H      -4.738178     -3.353375      0.540296
  N      -4.799698      1.121746      3.897574
  N      -5.453323      0.681172      2.888829
  H      -4.903073      0.344557      2.059791
  H      -6.473981      0.732006      2.871887
99
Coordinates from ORCA-job orca E -6533.117720364312
  N      -4.251001      3.694482      5.105400
  Mo     -3.825269      1.761464      5.266424
  N      -4.655337      0.841975      6.789557
  C      -3.999210      0.967921      8.092177
  C      -3.336801      2.336898      8.201998
  N      -2.558092      2.626590      6.968527
  C      -2.441348      4.084200      6.709052
  C      -3.730004      4.623966      6.104766
  C      -1.231002      1.959527      6.938794
  C      -0.885178      1.679441      5.477321
  N      -2.029226      1.021948      4.851583
  H      -3.508888      5.599059      5.631477
  H      -4.475628      4.831292      6.898282
  H      -1.623441      4.222086      5.988783
  H      -2.173128      4.620332      7.636769
  H       0.016768      1.048075      5.418759
  H      -0.638960      2.623600      4.959269
  H      -1.321207      1.003786      7.473745
  H      -0.474490      2.580068      7.452291
  H      -4.734830      0.863528      8.910531
  H      -3.251462      0.164356      8.239199
  H      -4.123728      3.101240      8.273581
  H      -2.696203      2.414658      9.098395
  C      -5.164581      4.313634      4.147473
  C      -6.534033      4.683813      4.744051
  C      -7.381819      3.461718      5.064948
  O      -7.587537      2.718006      3.831214
  C      -8.816733      2.679628      3.286824
  N      -9.895573      2.862531      4.028898
  C     -11.094636      2.696791      3.417509
  N     -11.326660      2.383554      2.155711
  C     -10.215386      2.229855      1.370813
  C     -10.346396      1.901562      0.000706
  C      -9.199823      1.751197     -0.754600
  C      -7.940166      1.940029     -0.149302
  N      -7.769037      2.246346      1.135684
  C      -8.894745      2.378027      1.885824
  C      -1.818299     -0.351454      4.382370
  C      -1.569275     -0.525176      2.859797
  C      -2.585958     -1.508565      2.286952
  O      -2.526993     -1.649122      0.846465
  C      -3.279929     -0.831791      0.094986
  N      -3.864793      0.241205      0.633144
  C      -4.557592      1.055600     -0.198478
  N      -4.760944      0.908690     -1.491692
  C      -4.209917     -0.219787     -2.054772
  C      -4.434368     -0.514757     -3.412314
  C      -3.860982     -1.664412     -3.949630
  C      -3.080968     -2.488600     -3.123157
  N      -2.852946     -2.257242     -1.826140
  C      -3.416807     -1.139411     -1.298153
  C      -5.834143     -0.013399      6.769081
  C      -5.519849     -1.506080      6.991721
  C      -6.522423     -2.427255      6.313468
  O      -6.267087     -2.455782      4.883866
  C      -7.172800     -1.940265      4.035435
  N      -8.238611     -1.292221      4.482645
  C      -9.079736     -0.772347      3.554743
  N      -8.959102     -0.819095      2.239759
  C      -7.859316     -1.485458      1.764277
  C      -7.624324     -1.576009      0.371797
  C      -6.501939     -2.257046     -0.069561
  C      -5.633006     -2.839235      0.872883
  N      -5.812468     -2.774832      2.194408
  C      -6.908501     -2.102443      2.631027
  H      -4.688251      5.215658      3.718575
  H      -5.329816      3.612061      3.320593
  H      -6.405284      5.272284      5.667214
  H      -7.082976      5.321558      4.032839
  H      -8.356892      3.723448      5.493027
  H      -6.856405      2.779257      5.748755
  H     -11.967349      2.816957      4.065739
  H     -11.346600      1.768902     -0.413900
  H      -9.240201      1.489267     -1.813938
  H      -7.035285      1.835600     -0.754631
  H      -0.967730     -0.767344      4.949279
  H      -2.688607     -0.967794      4.662709
  H      -0.556982     -0.917922      2.681284
  H      -1.645261      0.447615      2.355779
  H      -3.606921     -1.252631      2.595335
  H      -2.377471     -2.525859      2.647306
  H      -5.011838      1.926767      0.286310
  H      -5.061218      0.162911     -3.994846
  H      -4.009341     -1.932587     -4.996777
  H      -2.619782     -3.391423     -3.535962
  H      -6.324924      0.110268      5.796046
  H      -6.555727      0.326622      7.537788
  H      -4.515619     -1.725575      6.594555
  H      -5.502843     -1.747684      8.066743
  H      -7.558579     -2.112436      6.494679
  H      -6.388868     -3.466341      6.645446
  H      -9.949484     -0.236514      3.952119
  H      -8.330342     -1.104192     -0.311953
  H      -6.277865     -2.344691     -1.133667
  H      -4.741794     -3.372582      0.529912
  N      -4.796221      1.129809      3.908800
  N      -5.442145      0.694920      2.892588
  H      -4.892180      0.359736      2.062017
  H      -6.459523      0.787397      2.848689
99
Coordinates from ORCA-job orca E -6533.119659706006
  N      -4.228490      3.699567      5.111375
  Mo     -3.825116      1.762551      5.282276
  N      -4.666419      0.847941      6.803753
  C      -4.018907      0.971536      8.110398
  C      -3.346975      2.335501      8.222202
  N      -2.562507      2.620884      6.991537
  C      -2.436613      4.078287      6.733775
  C      -3.720460      4.622047      6.123708
  C      -1.239627      1.945417      6.966983
  C      -0.885927      1.669714      5.507015
  N      -2.030476      1.024048      4.869758
  H      -3.498693      5.602430      5.661950
  H      -4.473304      4.819021      6.913127
  H      -1.615007      4.212657      6.017090
  H      -2.170420      4.612650      7.663054
  H       0.011385      1.031523      5.451666
  H      -0.628776      2.614454      4.995078
  H      -1.339592      0.987796      7.496908
  H      -0.482237      2.558388      7.488287
  H      -4.762318      0.875860      8.922969
  H      -3.279353      0.161883      8.265785
  H      -4.128827      3.105168      8.292243
  H      -2.708388      2.408590      9.120389
  C      -5.138284      4.323033      4.152709
  C      -6.514210      4.682645      4.741205
  C      -7.366138      3.458453      5.040014
  O      -7.577255      2.739183      3.792973
  C      -8.811948      2.694943      3.262133
  N      -9.883657      2.889759      4.011069
  C     -11.088794      2.726470      3.410396
  N     -11.332626      2.404085      2.153319
  C     -10.228181      2.233843      1.361866
  C     -10.371364      1.892023     -0.003638
  C      -9.231476      1.723597     -0.765449
  C      -7.965768      1.906383     -0.171388
  N      -7.783646      2.226592      1.109107
  C      -8.902695      2.377700      1.865082
  C      -1.822168     -0.339682      4.371408
  C      -1.596573     -0.481225      2.842441
  C      -2.588746     -1.492244      2.276763
  O      -2.530650     -1.638545      0.837051
  C      -3.290146     -0.828865      0.083836
  N      -3.880508      0.242938      0.619032
  C      -4.579262      1.049909     -0.214787
  N      -4.781687      0.897926     -1.507731
  C      -4.224665     -0.229421     -2.067508
  C      -4.446092     -0.529303     -3.424409
  C      -3.867250     -1.678284     -3.957735
  C      -3.084844     -2.496815     -3.128073
  N      -2.858662     -2.260232     -1.831547
  C      -3.427456     -1.142948     -1.307678
  C      -5.836177     -0.019471      6.771755
  C      -5.508188     -1.509469      6.990060
  C      -6.504938     -2.439615      6.315572
  O      -6.254233     -2.469420      4.885232
  C      -7.156029     -1.943211      4.039324
  N      -8.216849     -1.288681      4.488950
  C      -9.054625     -0.760519      3.562627
  N      -8.936500     -0.807197      2.247390
  C      -7.842529     -1.481646      1.769853
  C      -7.612377     -1.576645      0.376866
  C      -6.495084     -2.264819     -0.066689
  C      -5.626475     -2.849632      0.874465
  N      -5.802322     -2.782545      2.196167
  C      -6.893723     -2.103800      2.634759
  H      -4.663063      5.232328      3.738184
  H      -5.291692      3.630008      3.316337
  H      -6.394250      5.260684      5.672122
  H      -7.056863      5.328896      4.032797
  H      -8.339263      3.717386      5.474104
  H      -6.844300      2.760566      5.710994
  H     -11.955392      2.860067      4.064174
  H     -11.375283      1.763577     -0.410603
  H      -9.283716      1.451320     -1.821603
  H      -7.065569      1.785880     -0.780924
  H      -0.961947     -0.764377      4.916631
  H      -2.687049     -0.963319      4.652370
  H      -0.574392     -0.832711      2.635907
  H      -1.720538      0.495771      2.356339
  H      -3.615629     -1.260583      2.585651
  H      -2.354469     -2.502140      2.642266
  H      -5.038531      1.920189      0.267140
  H      -5.074519      0.143614     -4.010644
  H      -4.013415     -1.949968     -5.004316
  H      -2.619691     -3.399147     -3.537559
  H      -6.321315      0.104337      5.796063
  H      -6.566408      0.309338      7.537318
  H      -4.504164     -1.719557      6.586919
  H      -5.483002     -1.752435      8.064643
  H      -7.543241     -2.133707      6.499636
  H      -6.360457     -3.477050      6.647926
  H      -9.919745     -0.218501      3.961941
  H      -8.317983     -1.102587     -0.305723
  H      -6.275085     -2.356565     -1.131337
  H      -4.739154     -3.388607      0.529834
  N      -4.792336      1.136617      3.919067
  N      -5.431184      0.706387      2.895669
  H      -4.879404      0.375051      2.063972
  H      -6.443287      0.842432      2.822405
99
Coordinates from ORCA-job orca E -6533.121442497276
  N      -4.207011      3.705086      5.115168
  Mo     -3.825615      1.763784      5.295449
  N      -4.679040      0.856192      6.815551
  C      -4.039691      0.978536      8.125883
  C      -3.357586      2.337451      8.238574
  N      -2.566872      2.616871      7.010628
  C      -2.430495      4.073395      6.753000
  C      -3.709322      4.621719      6.137557
  C      -1.248730      1.932039      6.992269
  C      -0.887465      1.657022      5.534451
  N      -2.033298      1.023059      4.887751
  H      -3.486030      5.605957      5.684982
  H      -4.468032      4.811347      6.923196
  H      -1.605642      4.202528      6.039110
  H      -2.164921      4.606732      7.682958
  H       0.004351      1.010936      5.483496
  H      -0.618579      2.600891      5.026694
  H      -1.359004      0.974148      7.519618
  H      -0.490030      2.538169      7.519588
  H      -4.790226      0.892325      8.933100
  H      -3.308358      0.163081      8.289925
  H      -4.133679      3.113069      8.306368
  H      -2.721168      2.406008      9.138599
  C      -5.113841      4.332613      4.156708
  C      -6.495014      4.682607      4.739206
  C      -7.350234      3.457000      5.018903
  O      -7.567677      2.759830      3.761003
  C      -8.807331      2.709164      3.242907
  N      -9.872687      2.915497      3.997517
  C     -11.082953      2.754797      3.406222
  N     -11.336888      2.424320      2.153463
  C     -10.238501      2.238251      1.356913
  C     -10.392297      1.884526     -0.004265
  C      -9.258135      1.698296     -0.770537
  C      -7.987449      1.873243     -0.185228
  N      -7.795616      2.205744      1.090741
  C      -8.908979      2.376666      1.850270
  C      -1.828922     -0.330645      4.361475
  C      -1.624992     -0.441067      2.827730
  C      -2.591039     -1.479141      2.267507
  O      -2.532187     -1.630298      0.828571
  C      -3.297016     -0.826357      0.074283
  N      -3.892485      0.243964      0.607593
  C      -4.595986      1.045253     -0.227631
  N      -4.796489      0.890331     -1.520498
  C      -4.232942     -0.234698     -2.078544
  C      -4.449906     -0.536728     -3.435613
  C      -3.865110     -1.683944     -3.966538
  C      -3.081465     -2.498533     -3.134403
  N      -2.858730     -2.259461     -1.837729
  C      -3.432883     -1.143755     -1.316378
  C      -5.839891     -0.022496      6.772109
  C      -5.497261     -1.508888      6.987812
  C      -6.486981     -2.449054      6.316626
  O      -6.239690     -2.482078      4.885608
  C      -7.138802     -1.947227      4.042001
  N      -8.194898     -1.287841      4.495233
  C      -9.032892     -0.755564      3.571713
  N      -8.921434     -0.805073      2.256215
  C      -7.832964     -1.485292      1.774905
  C      -7.612541     -1.588031      0.381040
  C      -6.500199     -2.281301     -0.066585
  C      -5.626895     -2.863479      0.871813
  N      -5.794842     -2.791487      2.194104
  C      -6.881846     -2.108362      2.636650
  H      -4.640344      5.248655      3.755303
  H      -5.257062      3.647644      3.311792
  H      -6.382262      5.250928      5.676950
  H      -7.032516      5.336789      4.034133
  H      -8.320960      3.713361      5.459708
  H      -6.830811      2.745223      5.677090
  H     -11.944264      2.900524      4.064579
  H     -11.399302      1.761315     -0.405104
  H      -9.320251      1.417003     -1.823712
  H      -7.091660      1.736393     -0.797810
  H      -0.960755     -0.765293      4.885743
  H      -2.689838     -0.960040      4.641753
  H      -0.594541     -0.750278      2.596137
  H      -1.795956      0.537215      2.359083
  H      -3.623493     -1.271378      2.575610
  H      -2.331986     -2.481228      2.637743
  H      -5.060645      1.913473      0.252808
  H      -5.079114      0.132729     -4.024817
  H      -4.007880     -1.956964     -5.013201
  H      -2.612076     -3.399617     -3.541692
  H      -6.318899      0.099893      5.793349
  H      -6.579125      0.295983      7.533442
  H      -4.492815     -1.709168      6.580514
  H      -5.465134     -1.752367      8.062110
  H      -7.527752     -2.152437      6.501966
  H      -6.331711     -3.484126      6.651197
  H      -9.893347     -0.208774      3.974117
  H      -8.321608     -1.115829     -0.299112
  H      -6.287612     -2.379154     -1.132121
  H      -4.742586     -3.405017      0.523731
  N      -4.789808      1.142280      3.927195
  N      -5.422953      0.714626      2.898268
  H      -4.867170      0.388167      2.066328
  H      -6.426616      0.894173      2.795928
99
Coordinates from ORCA-job orca E -6533.123062731125
  N      -4.187983      3.712108      5.120395
  Mo     -3.826550      1.766367      5.307478
  N      -4.693009      0.864167      6.824639
  C      -4.062097      0.984487      8.138687
  C      -3.370844      2.338591      8.254034
  N      -2.573025      2.613741      7.029802
  C      -2.426585      4.069407      6.773621
  C      -3.700324      4.622437      6.152939
  C      -1.259346      1.920066      7.018460
  C      -0.889369      1.645371      5.563210
  N      -2.036034      1.023039      4.906674
  H      -3.475284      5.610509      5.709751
  H      -4.464865      4.804947      6.934686
  H      -1.598368      4.194082      6.062801
  H      -2.161834      4.601078      7.704732
  H      -0.003262      0.991149      5.517498
  H      -0.608233      2.588172      5.059767
  H      -1.379950      0.962172      7.543508
  H      -0.500012      2.519867      7.552083
  H      -4.819544      0.906315      8.940443
  H      -3.338376      0.163769      8.310466
  H      -4.141405      3.119811      8.319907
  H      -2.737320      2.401803      9.156469
  C      -5.092687      4.344987      4.163765
  C      -6.478258      4.683930      4.742775
  C      -7.334518      3.455861      5.004163
  O      -7.557543      2.781415      3.735528
  C      -8.801997      2.723920      3.230309
  N      -9.860943      2.941329      3.990552
  C     -11.075951      2.783770      3.408055
  N     -11.339816      2.446274      2.159259
  C     -10.247563      2.244661      1.357882
  C     -10.411832      1.880574      0.000676
  C      -9.283318      1.677683     -0.769913
  C      -8.007926      1.844258     -0.192839
  N      -7.806352      2.187442      1.079189
  C      -8.914238      2.377155      1.842155
  C      -1.834191     -0.318753      4.349955
  C      -1.651509     -0.397340      2.812397
  C      -2.588999     -1.463803      2.257779
  O      -2.531286     -1.621355      0.819399
  C      -3.304261     -0.826585      0.063242
  N      -3.907598      0.241404      0.592689
  C      -4.619822      1.032386     -0.244786
  N      -4.820415      0.870295     -1.536838
  C      -4.247802     -0.252187     -2.090974
  C      -4.461071     -0.560576     -3.447194
  C      -3.867419     -1.705497     -3.973496
  C      -3.078707     -2.511433     -3.137828
  N      -2.858113     -2.265590     -1.842042
  C      -3.440481     -1.151843     -1.325322
  C      -5.844259     -0.026904      6.769813
  C      -5.487081     -1.510140      6.980292
  C      -6.470530     -2.459403      6.312305
  O      -6.227479     -2.494940      4.880736
  C      -7.122982     -1.950925      4.039099
  N      -8.174217     -1.285243      4.494347
  C      -9.009871     -0.746682      3.572179
  N      -8.901553     -0.797311      2.256541
  C      -7.818083     -1.484038      1.773436
  C      -7.601712     -1.590063      0.379177
  C      -6.493472     -2.288684     -0.070413
  C      -5.620601     -2.873623      0.866778
  N      -5.785408     -2.799674      2.189159
  C      -6.868288     -2.111221      2.633515
  H      -4.622080      5.268586      3.776541
  H      -5.226678      3.669532      3.309556
  H      -6.371687      5.241961      5.687409
  H      -7.012626      5.346036      4.042654
  H      -8.302871      3.707886      5.452634
  H      -6.815712      2.731039      5.648558
  H     -11.932050      2.941954      4.070248
  H     -11.421873      1.763119     -0.394227
  H      -9.354735      1.388849     -1.820404
  H      -7.116927      1.691658     -0.808730
  H      -0.958464     -0.763365      4.852865
  H      -2.691156     -0.954609      4.627748
  H      -0.614095     -0.660833      2.556625
  H      -1.871528      0.579630      2.362474
  H      -3.626404     -1.281872      2.566391
  H      -2.302864     -2.456801      2.632519
  H      -5.090827      1.898642      0.233042
  H      -5.093738      0.102046     -4.040309
  H      -4.007332     -1.983013     -5.019378
  H      -2.602723     -3.410827     -3.541252
  H      -6.318229      0.095374      5.788808
  H      -6.591643      0.279775      7.528110
  H      -4.482577     -1.700351      6.568048
  H      -5.447281     -1.755584      8.053946
  H      -7.513469     -2.171988      6.500104
  H      -6.304874     -3.492397      6.648136
  H      -9.866350     -0.194645      3.976199
  H      -8.310877     -1.116236     -0.299760
  H      -6.284156     -2.389610     -1.136361
  H      -4.739974     -3.420383      0.517162
  N      -4.786289      1.150040      3.933781
  N      -5.414006      0.724159      2.899359
  H      -4.851294      0.405097      2.068064
  H      -6.407030      0.946496      2.767707
99
Coordinates from ORCA-job orca E -6533.124507676227
  N      -4.167912      3.717090      5.116283
  Mo     -3.829147      1.766649      5.314518
  N      -4.709268      0.877140      6.831796
  C      -4.085420      0.998887      8.148704
  C      -3.382889      2.347453      8.262026
  N      -2.577554      2.611873      7.040243
  C      -2.417178      4.065056      6.779977
  C      -3.684979      4.624063      6.153748
  C      -1.270387      1.905931      7.039134
  C      -0.892934      1.622556      5.588043
  N      -2.042319      1.012110      4.925179
  H      -3.455688      5.613067      5.714930
  H      -4.453239      4.805727      6.932033
  H      -1.586093      4.180139      6.070862
  H      -2.150754      4.597892      7.709897
  H      -0.014997      0.956955      5.551256
  H      -0.596368      2.560440      5.083944
  H      -1.403720      0.951245      7.566822
  H      -0.508805      2.500174      7.575650
  H      -4.848874      0.931997      8.945882
  H      -3.370226      0.172717      8.329993
  H      -4.146251      3.135973      8.323391
  H      -2.751983      2.407166      9.166479
  C      -5.070939      4.354088      4.161258
  C      -6.458783      4.688304      4.738289
  C      -7.317933      3.460899      4.989615
  O      -7.548921      2.801500      3.715325
  C      -8.797927      2.737430      3.222560
  N      -9.850973      2.966676      3.987532
  C     -11.070107      2.811521      3.413251
  N     -11.342898      2.466646      2.168473
  C     -10.256381      2.249438      1.363262
  C     -10.430109      1.874861      0.010183
  C      -9.306576      1.654211     -0.762906
  C      -8.027324      1.811119     -0.192126
  N      -7.816784      2.164830      1.075581
  C      -8.919850      2.375259      1.839776
  C      -1.846350     -0.319238      4.342786
  C      -1.680245     -0.367362      2.803072
  C      -2.588761     -1.457679      2.247184
  O      -2.527551     -1.614532      0.809055
  C      -3.305225     -0.823130      0.054072
  N      -3.916280      0.239719      0.585182
  C      -4.633813      1.026996     -0.251006
  N      -4.830671      0.867046     -1.543867
  C      -4.248019     -0.248932     -2.100497
  C      -4.454263     -0.553796     -3.458627
  C      -3.851150     -1.692865     -3.986822
  C      -3.060416     -2.496732     -3.151156
  N      -2.845818     -2.253905     -1.853890
  C      -3.436972     -1.145575     -1.335424
  C      -5.851518     -0.024586      6.768460
  C      -5.479713     -1.503913      6.977526
  C      -6.456439     -2.464169      6.315230
  O      -6.217676     -2.504446      4.882973
  C      -7.112189     -1.957369      4.042132
  N      -8.161697     -1.290238      4.498540
  C      -9.000319     -0.755118      3.577287
  N      -8.898198     -0.812599      2.261674
  C      -7.816075     -1.500185      1.777278
  C      -7.607557     -1.615441      0.382635
  C      -6.500315     -2.314090     -0.068515
  C      -5.620426     -2.889960      0.867742
  N      -5.778956     -2.809293      2.190375
  C      -6.861357     -2.121083      2.636254
  H      -4.601671      5.282440      3.783892
  H      -5.199389      3.685130      3.300977
  H      -6.354967      5.240309      5.686726
  H      -6.990076      5.356119      4.041261
  H      -8.282965      3.712499      5.445290
  H      -6.799630      2.726701      5.623776
  H     -11.921640      2.980634      4.078814
  H     -11.442767      1.763658     -0.379654
  H      -9.385449      1.357473     -1.810590
  H      -7.140903      1.641372     -0.809921
  H      -0.966372     -0.775708      4.827228
  H      -2.702557     -0.957889      4.616469
  H      -0.637639     -0.586286      2.527725
  H      -1.944807      0.607411      2.373303
  H      -3.631136     -1.300394      2.553642
  H      -2.279015     -2.443163      2.622905
  H      -5.112213      1.888108      0.228618
  H      -5.088619      0.106684     -4.052191
  H      -3.985444     -1.967294     -5.034204
  H      -2.577502     -3.391830     -3.555781
  H      -6.320895      0.095178      5.785096
  H      -6.606385      0.272593      7.523062
  H      -4.475441     -1.685198      6.560533
  H      -5.431777     -1.748147      8.051141
  H      -7.501612     -2.186654      6.505625
  H      -6.279414     -3.494182      6.654202
  H      -9.854917     -0.201263      3.982344
  H      -8.322085     -1.148435     -0.295307
  H      -6.296648     -2.421702     -1.134815
  H      -4.739482     -3.434918      0.516596
  N      -4.786896      1.153290      3.936863
  N      -5.412138      0.725279      2.899777
  H      -4.843408      0.408352      2.070843
  H      -6.391869      0.989583      2.741059
99
Coordinates from ORCA-job orca E -6533.125803460211
  N      -4.151942      3.726740      5.118732
  Mo     -3.831868      1.771684      5.321654
  N      -4.727082      0.887798      6.833902
  C      -4.112506      1.007885      8.154793
  C      -3.401595      2.351760      8.271906
  N      -2.586632      2.610871      7.055371
  C      -2.414055      4.062334      6.796053
  C      -3.675681      4.627701      6.164478
  C      -1.284816      1.894848      7.064607
  C      -0.896900      1.606947      5.617473
  N      -2.047288      1.008788      4.945200
  H      -3.442435      5.619113      5.733255
  H      -4.448866      4.805715      6.938746
  H      -1.579293      4.171254      6.090173
  H      -2.147785      4.593688      7.726859
  H      -0.026937      0.930532      5.589857
  H      -0.584501      2.541066      5.115525
  H      -1.430246      0.941903      7.592143
  H      -0.522981      2.483439      7.606899
  H      -4.882843      0.947896      8.946041
  H      -3.404583      0.177066      8.343509
  H      -4.159092      3.146073      8.329574
  H      -2.775422      2.406118      9.179953
  C      -5.054312      4.370958      4.168202
  C      -6.443944      4.696369      4.746190
  C      -7.302595      3.466910      4.986235
  O      -7.538966      2.824528      3.704851
  C      -8.792328      2.752387      3.224682
  N      -9.839446      2.991172      3.994812
  C     -11.062426      2.838309      3.428275
  N     -11.344184      2.487673      2.187026
  C     -10.263573      2.256935      1.377546
  C     -10.446702      1.874387      0.027813
  C      -9.328247      1.639728     -0.748850
  C      -8.045361      1.788487     -0.184677
  N      -7.826070      2.150507      1.079555
  C      -8.924010      2.377397      1.846510
  C      -1.854153     -0.308994      4.332596
  C      -1.705896     -0.325185      2.791217
  C      -2.578459     -1.445246      2.236592
  O      -2.516922     -1.606450      0.798783
  C      -3.305646     -0.827498      0.041959
  N      -3.927895      0.230905      0.568723
  C      -4.658049      1.004201     -0.269505
  N      -4.856715      0.834594     -1.560839
  C      -4.261359     -0.276705     -2.113191
  C      -4.464493     -0.589726     -3.469982
  C      -3.848328     -1.723875     -3.993556
  C      -3.047854     -2.514930     -3.154861
  N      -2.834663     -2.263508     -1.859050
  C      -3.438048     -1.159503     -1.345185
  C      -5.858239     -0.027698      6.759455
  C      -5.470437     -1.503424      6.962342
  C      -6.439713     -2.473544      6.302954
  O      -6.204872     -2.516862      4.870473
  C      -7.097499     -1.962964      4.032001
  N      -8.142482     -1.290601      4.491018
  C      -8.980302     -0.750355      3.571645
  N      -8.881762     -0.808412      2.255873
  C      -7.803477     -1.500261      1.769029
  C      -7.597469     -1.614996      0.373905
  C      -6.492926     -2.316472     -0.079856
  C      -5.613962     -2.896981      0.854549
  N      -5.770380     -2.816956      2.177307
  C      -6.849367     -2.125064      2.625619
  H      -4.587955      5.306242      3.804594
  H      -5.177316      3.712186      3.299189
  H      -6.342421      5.240479      5.699436
  H      -6.974849      5.370240      4.054677
  H      -8.264944      3.714744      5.449582
  H      -6.782713      2.724055      5.609077
  H     -11.909439      3.018342      4.096548
  H     -11.462000      1.768762     -0.356645
  H      -9.414215      1.337548     -1.794389
  H      -7.163693      1.605186     -0.805310
  H      -0.969312     -0.775796      4.797889
  H      -2.708124     -0.952861      4.600847
  H      -0.659189     -0.492644      2.496183
  H      -2.021104      0.643425      2.382024
  H      -3.625144     -1.319222      2.543489
  H      -2.237532     -2.419406      2.614871
  H      -5.145037      1.862196      0.207046
  H      -5.106052      0.060970     -4.066585
  H      -3.979888     -2.004149     -5.039752
  H      -2.555026     -3.406322     -3.555769
  H      -6.323551      0.091513      5.774263
  H      -6.620673      0.256595      7.511438
  H      -4.466052     -1.673128      6.540478
  H      -5.414478     -1.750154      8.035049
  H      -7.487185     -2.206122      6.495300
  H      -6.251882     -3.500986      6.643838
  H      -9.831469     -0.192485      3.978876
  H      -8.311975     -1.145292     -0.302255
  H      -6.291140     -2.423985     -1.146605
  H      -4.736450     -3.446759      0.501652
  N      -4.783558      1.164670      3.938376
  N      -5.405671      0.735528      2.897890
  H      -4.827923      0.424795      2.072356
  H      -6.371347      1.037730      2.713272
99
Coordinates from ORCA-job orca E -6533.126956632612
  N      -4.132577      3.732445      5.108297
  Mo     -3.835568      1.773323      5.323765
  N      -4.746162      0.905386      6.835768
  C      -4.138963      1.028654      8.159519
  C      -3.416627      2.366742      8.273254
  N      -2.592014      2.611151      7.059870
  C      -2.401842      4.058701      6.793249
  C      -3.655858      4.632084      6.155067
  C      -1.298362      1.880444      7.082670
  C      -0.902806      1.576649      5.641064
  N      -2.056867      0.991130      4.964105
  H      -3.415050      5.621743      5.724046
  H      -4.431245      4.815342      6.925822
  H      -1.564038      4.154002      6.088933
  H      -2.132398      4.592746      7.721582
  H      -0.044113      0.885614      5.626625
  H      -0.570905      2.501914      5.134981
  H      -1.458667      0.933303      7.616137
  H      -0.533648      2.464119      7.626027
  H      -4.915125      0.980320      8.945934
  H      -3.439730      0.192805      8.358366
  H      -4.166122      3.168972      8.323141
  H      -2.794662      2.419111      9.184252
  C      -5.034633      4.380750      4.160292
  C      -6.423765      4.706894      4.739456
  C      -7.285273      3.479925      4.979879
  O      -7.530183      2.842405      3.698357
  C      -8.787455      2.763726      3.229699
  N      -9.829355      3.014427      4.003424
  C     -11.055694      2.862958      3.444131
  N     -11.345232      2.504317      2.206985
  C     -10.269880      2.258682      1.394757
  C     -10.461165      1.866579      0.049011
  C      -9.347120      1.615880     -0.729175
  C      -8.061244      1.755945     -0.169957
  N      -7.834240      2.127253      1.090223
  C      -8.927844      2.373141      1.857410
  C      -1.872570     -0.316366      4.328449
  C      -1.738976     -0.304088      2.786814
  C      -2.575751     -1.447707      2.225316
  O      -2.507785     -1.601710      0.787249
  C      -3.301383     -0.825423      0.033034
  N      -3.933732      0.224608      0.564072
  C      -4.669656      0.995398     -0.271249
  N      -4.863058      0.831699     -1.564123
  C      -4.254683     -0.269595     -2.121894
  C      -4.448292     -0.574571     -3.482072
  C      -3.819473     -1.699214     -4.010623
  C      -3.016313     -2.489341     -3.173594
  N      -2.811475     -2.245208     -1.875189
  C      -3.426769     -1.150145     -1.356525
  C      -5.868005     -0.020492      6.754160
  C      -5.465176     -1.491939      6.956326
  C      -6.427060     -2.473950      6.303728
  O      -6.196997     -2.522294      4.870548
  C      -7.091561     -1.970651      4.032442
  N      -8.137534     -1.300702      4.491883
  C      -8.981451     -0.769670      3.572921
  N      -8.889332     -0.836307      2.257330
  C      -7.809087     -1.524452      1.769896
  C      -7.609707     -1.647813      0.374571
  C      -6.502865     -2.344688     -0.080060
  C      -5.615024     -2.912298      0.853817
  N      -5.765841     -2.825192      2.176753
  C      -6.847242     -2.137602      2.625895
  H      -4.568283      5.318511      3.803069
  H      -5.156818      3.726362      3.287792
  H      -6.320780      5.250275      5.692910
  H      -6.953314      5.382993      4.049135
  H      -8.243949      3.730510      5.449146
  H      -6.764800      2.733480      5.598016
  H     -11.898962      3.053786      4.114453
  H     -11.478642      1.766788     -0.331051
  H      -9.438784      1.306726     -1.772078
  H      -7.183805      1.557254     -0.791609
  H      -0.986073     -0.795490      4.777679
  H      -2.727934     -0.960332      4.591991
  H      -0.689982     -0.423239      2.476973
  H      -2.099379      0.657085      2.397337
  H      -3.626893     -1.351825      2.529412
  H      -2.207814     -2.413050      2.600882
  H      -5.165824      1.846061      0.208780
  H      -5.092223      0.074892     -4.077282
  H      -3.943200     -1.972923     -5.059458
  H      -2.513986     -3.373614     -3.578302
  H      -6.329602      0.095665      5.766918
  H      -6.637063      0.254360      7.502817
  H      -4.461337     -1.652591      6.529438
  H      -5.400513     -1.736298      8.029073
  H      -7.476628     -2.217271      6.499296
  H      -6.226948     -3.497846      6.648145
  H      -9.833280     -0.213732      3.980694
  H      -8.331136     -1.187988     -0.300933
  H      -6.305545     -2.457973     -1.146979
  H      -4.735335     -3.457772      0.500162
  N      -4.785055      1.169046      3.937375
  N      -5.407991      0.734185      2.897385
  H      -4.824541      0.419073      2.077444
  H      -6.358536      1.071380      2.690346
99
Coordinates from ORCA-job orca E -6533.127984370210
  N      -4.114285      3.741543      5.100930
  Mo     -3.839210      1.778661      5.324953
  N      -4.768202      0.922469      6.832464
  C      -4.171347      1.047269      8.160506
  C      -3.438725      2.379643      8.274704
  N      -2.601328      2.611168      7.067455
  C      -2.392726      4.054913      6.796427
  C      -3.637767      4.638013      6.150763
  C      -1.316171      1.865909      7.105555
  C      -0.909885      1.548634      5.670020
  N      -2.066042      0.977606      4.984622
  H      -3.388070      5.626302      5.721685
  H      -4.416367      4.825997      6.917102
  H      -1.550814      4.137362      6.095262
  H      -2.121251      4.589845      7.723657
  H      -0.063537      0.842298      5.670027
  H      -0.556129      2.465048      5.162333
  H      -1.492597      0.923894      7.642838
  H      -0.549895      2.443805      7.652712
  H      -4.954900      1.008673      8.940206
  H      -3.480838      0.206549      8.369409
  H      -4.180503      3.189364      8.315108
  H      -2.823768      2.429432      9.190569
  C      -5.016625      4.396197      4.157421
  C      -6.404506      4.721637      4.740080
  C      -7.266864      3.495970      4.983012
  O      -7.518688      2.861711      3.701627
  C      -8.779931      2.775002      3.245073
  N      -9.816128      3.036020      4.023316
  C     -11.046102      2.884918      3.472173
  N     -11.344405      2.518401      2.239296
  C     -10.274987      2.259767      1.423105
  C     -10.475472      1.859573      0.081066
  C      -9.366631      1.596197     -0.700759
  C      -8.077413      1.729550     -0.148319
  N      -7.841750      2.108831      1.108362
  C      -8.930121      2.370004      1.878295
  C      -1.888345     -0.317054      4.321909
  C      -1.768735     -0.274717      2.781018
  C      -2.563038     -1.444661      2.211787
  O      -2.490421     -1.592958      0.773331
  C      -3.295728     -0.827934      0.020087
  N      -3.944044      0.211613      0.551876
  C      -4.692847      0.970897     -0.282393
  N      -4.884917      0.804621     -1.575177
  C      -4.258832     -0.285936     -2.134129
  C      -4.445685     -0.591391     -3.495308
  C      -3.798508     -1.704846     -4.024950
  C      -2.984191     -2.483962     -3.188198
  N      -2.784436     -2.238627     -1.889287
  C      -3.417095     -1.153982     -1.369669
  C      -5.879853     -0.015267      6.741770
  C      -5.461964     -1.482571      6.941596
  C      -6.415674     -2.475569      6.293557
  O      -6.188213     -2.528525      4.860486
  C      -7.083947     -1.977562      4.023141
  N      -8.129999     -1.308412      4.483303
  C      -8.977019     -0.781101      3.564766
  N      -8.887907     -0.851244      2.249225
  C      -7.806331     -1.536984      1.761278
  C      -7.608048     -1.661206      0.365770
  C      -6.498747     -2.353975     -0.089594
  C      -5.608337     -2.918243      0.843870
  N      -5.758151     -2.830119      2.166853
  C      -6.841055     -2.145275      2.616566
  H      -4.550438      5.337176      3.808564
  H      -5.138897      3.748257      3.280105
  H      -6.298784      5.264845      5.693347
  H      -6.934872      5.398861      4.051493
  H      -8.222389      3.748296      5.457699
  H      -6.744653      2.747788      5.597729
  H     -11.885027      3.085939      4.144908
  H     -11.495489      1.764361     -0.293309
  H      -9.464934      1.281608     -1.741416
  H      -7.204853      1.518784     -0.772604
  H      -1.000247     -0.807734      4.755204
  H      -2.744491     -0.962731      4.578779
  H      -0.718806     -0.340080      2.458374
  H      -2.177743      0.674602      2.411248
  H      -3.617772     -1.385316      2.514320
  H      -2.162519     -2.398099      2.584474
  H      -5.201178      1.814067      0.198116
  H      -5.098428      0.049404     -4.090319
  H      -3.916298     -1.978444     -5.074516
  H      -2.467861     -3.359728     -3.593823
  H      -6.337361      0.098739      5.752380
  H      -6.655918      0.248775      7.487081
  H      -4.458086     -1.632887      6.510772
  H      -5.389950     -1.726359      8.014031
  H      -7.467484     -2.228816      6.490125
  H      -6.204779     -3.496006      6.641762
  H      -9.829159     -0.226038      3.973253
  H      -8.332101     -1.204691     -0.309188
  H      -6.301665     -2.466971     -1.156646
  H      -4.727956     -3.462883      0.490173
  N      -4.783560      1.179288      3.934230
  N      -5.407441      0.740135      2.894529
  H      -4.817266      0.421356      2.080820
  H      -6.343730      1.107674      2.667580
99
Coordinates from ORCA-job orca E -6533.128905183112
  N      -4.094203      3.748299      5.084993
  Mo     -3.843767      1.782495      5.321470
  N      -4.792065      0.944461      6.826913
  C      -4.205344      1.074200      8.158901
  C      -3.459945      2.399766      8.268896
  N      -2.608697      2.611253      7.067385
  C      -2.377392      4.049440      6.786762
  C      -3.612076      4.644307      6.132932
  C      -1.334629      1.848425      7.123953
  C      -0.919016      1.510804      5.696102
  N      -2.078467      0.955401      5.004145
  H      -3.350402      5.628155      5.700845
  H      -4.391680      4.843410      6.895342
  H      -1.531950      4.113678      6.087839
  H      -2.101377      4.587518      7.710822
  H      -0.087812      0.786751      5.713647
  H      -0.540034      2.414544      5.183617
  H      -1.529696      0.914453      7.668591
  H      -0.565217      2.420601      7.672501
  H      -4.996180      1.049081      8.931820
  H      -3.525012      0.228390      8.380533
  H      -4.192237      3.218435      8.295321
  H      -2.852681      2.449971      9.189828
  C      -4.997544      4.407416      4.145391
  C      -6.381989      4.738923      4.732911
  C      -7.246917      3.517756      4.988709
  O      -7.508679      2.876174      3.713345
  C      -8.773742      2.783091      3.268400
  N      -9.804354      3.056564      4.050214
  C     -11.037909      2.905585      3.507314
  N     -11.344738      2.529735      2.279220
  C     -10.281146      2.257074      1.459775
  C     -10.490437      1.848558      0.121692
  C      -9.386697      1.571936     -0.663190
  C      -8.094405      1.698252     -0.117105
  N      -7.850405      2.085282      1.135965
  C      -8.933608      2.362368      1.907903
  C      -1.909649     -0.328991      4.320005
  C      -1.795530     -0.258257      2.781484
  C      -2.547430     -1.448243      2.196253
  O      -2.466727     -1.582145      0.757031
  C      -3.282725     -0.824474      0.007999
  N      -3.947335      0.201637      0.545248
  C      -4.707175      0.954038     -0.285167
  N      -4.896024      0.792094     -1.579081
  C      -4.252051     -0.284578     -2.143977
  C      -4.430865     -0.583457     -3.507955
  C      -3.765160     -1.682718     -4.043532
  C      -2.940791     -2.455065     -3.210131
  N      -2.747657     -2.215370     -1.909292
  C      -3.397961     -1.144187     -1.383940
  C      -5.895332     -0.002444      6.729269
  C      -5.464796     -1.465728      6.930680
  C      -6.410793     -2.469681      6.288198
  O      -6.184723     -2.528674      4.855155
  C      -7.083471     -1.985493      4.015806
  N      -8.134120     -1.322260      4.473457
  C      -8.986738     -0.807607      3.552958
  N      -8.899727     -0.885893      2.237854
  C      -7.812205     -1.563925      1.752451
  C      -7.614350     -1.694091      0.357331
  C      -6.498449     -2.377897     -0.095645
  C      -5.601454     -2.927968      0.839829
  N      -5.750689     -2.833910      2.162545
  C      -6.839871     -2.157493      2.609856
  H      -4.529312      5.348342      3.799103
  H      -5.123992      3.761803      3.266927
  H      -6.270110      5.287899      5.682154
  H      -6.913352      5.413708      4.042739
  H      -8.198448      3.776830      5.467707
  H      -6.723150      2.772245      5.605489
  H     -11.872613      3.117677      4.182127
  H     -11.512772      1.758272     -0.247446
  H      -9.491468      1.251900     -1.701494
  H      -7.226481      1.475650     -0.743436
  H      -1.023765     -0.833219      4.742165
  H      -2.770106     -0.972464      4.568002
  H      -0.745122     -0.273814      2.454106
  H      -2.245427      0.679012      2.429930
  H      -3.605441     -1.425150      2.493968
  H      -2.118170     -2.391798      2.562133
  H      -5.227752      1.787746      0.198673
  H      -5.091725      0.051660     -4.100019
  H      -3.875889     -1.950782     -5.095286
  H      -2.410261     -3.320010     -3.620558
  H      -6.348215      0.108330      5.737340
  H      -6.678086      0.253636      7.470321
  H      -4.460861     -1.608349      6.497247
  H      -5.386927     -1.705922      8.003506
  H      -7.464551     -2.231701      6.485146
  H      -6.190131     -3.486351      6.641317
  H      -9.842751     -0.257588      3.959690
  H      -8.343939     -1.248837     -0.319148
  H      -6.301024     -2.494079     -1.162306
  H      -4.716413     -3.466565      0.488500
  N      -4.786048      1.185093      3.928779
  N      -5.415156      0.740054      2.892875
  H      -4.824321      0.409016      2.085467
  H      -6.338159      1.134336      2.651711
99
Coordinates from ORCA-job orca E -6533.129729928547
  N      -4.072051      3.754507      5.066362
  Mo     -3.847779      1.786829      5.316108
  N      -4.818853      0.968442      6.818244
  C      -4.244903      1.104308      8.155087
  C      -3.485223      2.421742      8.260571
  N      -2.617397      2.609441      7.066854
  C      -2.360122      4.041053      6.775389
  C      -3.582155      4.650201      6.111360
  C      -1.356345      1.827020      7.144332
  C      -0.929761      1.468195      5.724993
  N      -2.091795      0.931121      5.023311
  H      -3.305312      5.627886      5.674817
  H      -4.362616      4.863951      6.868847
  H      -1.510716      4.084211      6.079570
  H      -2.079046      4.582401      7.696036
  H      -0.115826      0.725188      5.761448
  H      -0.522267      2.357895      5.209441
  H      -1.572429      0.901864      7.695933
  H      -0.583795      2.392241      7.695566
  H      -5.044347      1.094808      8.919504
  H      -3.576482      0.253032      8.391930
  H      -4.206619      3.250173      8.268882
  H      -2.888117      2.473799      9.188013
  C      -4.976981      4.417896      4.130542
  C      -6.357077      4.757579      4.723634
  C      -7.224134      3.542086      4.998687
  O      -7.495341      2.887111      3.732384
  C      -8.764065      2.787913      3.298972
  N      -9.788721      3.073524      4.084740
  C     -11.026110      2.921215      3.551229
  N     -11.342169      2.534775      2.328572
  C     -10.284850      2.249257      1.505088
  C     -10.503828      1.832353      0.171272
  C      -9.405874      1.544239     -0.618083
  C      -8.110155      1.665413     -0.080153
  N      -7.856756      2.060072      1.169368
  C      -8.934209      2.351283      1.944974
  C      -1.930727     -0.341807      4.315838
  C      -1.818062     -0.241736      2.780435
  C      -2.524856     -1.449818      2.175642
  O      -2.436873     -1.565460      0.735346
  C      -3.269100     -0.820305     -0.008220
  N      -3.956328      0.186779      0.535710
  C      -4.730824      0.928668     -0.290464
  N      -4.915984      0.771232     -1.585752
  C      -4.248587     -0.287211     -2.157341
  C      -4.418651     -0.579922     -3.524090
  C      -3.728350     -1.660227     -4.066393
  C      -2.888542     -2.420765     -3.237246
  N      -2.702472     -2.186214     -1.934503
  C      -3.376660     -1.133293     -1.402560
  C      -5.915296      0.014009      6.714193
  C      -5.475184     -1.445640      6.920812
  C      -6.413756     -2.459344      6.283228
  O      -6.185230     -2.524629      4.851161
  C      -7.086619     -1.991156      4.008648
  N      -8.144487     -1.337028      4.462439
  C      -9.002240     -0.836513      3.538786
  N      -8.914060     -0.921210      2.224134
  C      -7.817951     -1.588368      1.742876
  C      -7.616577     -1.722130      0.348431
  C      -6.491687     -2.394256     -0.100421
  C      -5.589460     -2.929643      0.838445
  N      -5.741247     -2.831005      2.160627
  C      -6.839120     -2.165902      2.603787
  H      -4.505806      5.357379      3.784306
  H      -5.109490      3.773290      3.252260
  H      -6.237606      5.316152      5.666366
  H      -6.890626      5.426830      4.029759
  H      -8.171907      3.810089      5.480271
  H      -6.698863      2.802506      5.621499
  H     -11.856063      3.143444      4.228724
  H     -11.528734      1.745479     -0.191538
  H      -9.518397      1.218610     -1.653833
  H      -7.247407      1.432416     -0.709547
  H      -1.048326     -0.860229      4.728194
  H      -2.796233     -0.982807      4.552329
  H      -0.767951     -0.207686      2.453250
  H      -2.306460      0.682306      2.446329
  H      -3.584740     -1.466197      2.468748
  H      -2.065234     -2.382633      2.532335
  H      -5.267675      1.749609      0.197425
  H      -5.091851      0.045468     -4.112607
  H      -3.831250     -1.922880     -5.120352
  H      -2.338942     -3.271066     -3.653221
  H      -6.362205      0.120665      5.718987
  H      -6.704986      0.264884      7.449640
  H      -4.470443     -1.582845      6.487375
  H      -5.394662     -1.680718      7.994587
  H      -7.469441     -2.227633      6.477516
  H      -6.186310     -3.472342      6.642603
  H      -9.864241     -0.293798      3.942621
  H      -8.350745     -1.288711     -0.330819
  H      -6.291300     -2.511947     -1.166416
  H      -4.698144     -3.460754      0.491153
  N      -4.787381      1.191246      3.921609
  N      -5.423211      0.741568      2.890571
  H      -4.833786      0.395592      2.089935
  H      -6.334612      1.158935      2.638386
99
Coordinates from ORCA-job orca E -6533.130440986810
  N      -4.049299      3.760718      5.044140
  Mo     -3.850563      1.792217      5.306610
  N      -4.845427      0.995268      6.805433
  C      -4.284976      1.138265      8.147200
  C      -3.509560      2.446610      8.247147
  N      -2.624864      2.608077      7.061847
  C      -2.340502      4.032177      6.758376
  C      -3.549162      4.656525      6.084313
  C      -1.377931      1.805816      7.160503
  C      -0.940907      1.423606      5.750589
  N      -2.105445      0.905795      5.039524
  H      -3.255728      5.626590      5.641761
  H      -4.329426      4.887221      6.836908
  H      -1.488016      4.052681      6.065296
  H      -2.053202      4.577028      7.675001
  H      -0.145767      0.661491      5.806930
  H      -0.503674      2.297339      5.231668
  H      -1.615316      0.890553      7.719719
  H      -0.601788      2.363919      7.713779
  H      -5.093115      1.146047      8.902444
  H      -3.629651      0.281498      8.400556
  H      -4.219208      3.284849      8.235303
  H      -2.923339      2.502043      9.181275
  C      -4.956941      4.427109      4.112441
  C      -6.331557      4.776440      4.712351
  C      -7.199734      3.567489      5.012848
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  N      -9.772611      3.085414      4.126435
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  N     -11.338887      2.533023      2.386109
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  C      -8.125492      1.628944     -0.035484
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  C      -3.352226     -1.115801     -1.418281
  C      -5.936369      0.035296      6.695324
  C      -5.489840     -1.421341      6.909838
  C      -6.422280     -2.443026      6.276393
  O      -6.190440     -2.514563      4.845130
  C      -7.095937     -1.996444      3.997502
  N      -8.164472     -1.355714      4.445024
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  H      -6.203369      5.347971      5.646156
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  H      -0.785550     -0.161099      2.464466
  H      -2.352885      0.677696      2.462714
  H      -3.563822     -1.503396      2.444532
  H      -2.019894     -2.379111      2.504154
  H      -5.287301      1.728938      0.196071
  H      -5.082284      0.053402     -4.122910
  H      -3.788778     -1.887525     -5.141648
  H      -2.277221     -3.221445     -3.681422
  H      -6.375929      0.137804      5.696321
  H      -6.733120      0.283150      7.424104
  H      -4.483907     -1.556039      6.478414
  H      -5.409281     -1.649708      7.985019
  H      -7.479343     -2.215325      6.467490
  H      -6.190489     -3.452940      6.641667
  H      -9.898896     -0.343555      3.915550
  H      -8.361427     -1.341849     -0.349102
  H      -6.280916     -2.537113     -1.172604
  H      -4.676751     -3.450716      0.494999
  N      -4.788264      1.197375      3.911202
  N      -5.433097      0.743751      2.887144
  H      -4.849232      0.380574      2.092402
  H      -6.335307      1.179549      2.628590
99
Coordinates from ORCA-job orca E -6533.131022306869
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  Mo     -3.852638      1.799272      5.296847
  N      -4.871290      1.021437      6.791285
  C      -4.324667      1.169936      8.138109
  C      -3.533476      2.468535      8.234683
  N      -2.633213      2.605684      7.058208
  C      -2.322917      4.022400      6.744431
  C      -3.517886      4.662506      6.060439
  C      -1.400602      1.784169      7.176010
  C      -0.953194      1.381756      5.774837
  N      -2.118804      0.884297      5.051393
  H      -3.207015      5.624690      5.612653
  H      -4.297999      4.910346      6.807667
  H      -1.467979      4.021309      6.054075
  H      -2.029264      4.569684      7.657621
  H      -0.176791      0.601827      5.848898
  H      -0.487016      2.240738      5.255977
  H      -1.658235      0.877512      7.740351
  H      -0.621230      2.334237      7.732820
  H      -5.141280      1.194673      8.883862
  H      -3.683222      0.307309      8.407213
  H      -4.231625      3.315866      8.204789
  H      -2.957916      2.526442      9.175258
  C      -4.940390      4.436935      4.097799
  C      -6.309787      4.793284      4.704740
  C      -7.176773      3.590232      5.030961
  O      -7.466924      2.893574      3.791832
  C      -8.741703      2.785809      3.377949
  N      -9.755009      3.096033      4.170081
  C     -10.999519      2.940375      3.655469
  N     -11.332838      2.531796      2.444382
  C     -10.287533      2.222703      1.613572
  C     -10.525395      1.791971      0.287869
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  C      -8.136921      1.597104      0.009863
  N      -7.864617      2.004104      1.252667
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  C      -1.975348     -0.372111      4.310685
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  C      -5.957899      0.057017      6.675611
  C      -5.506539     -1.396399      6.901017
  C      -6.432783     -2.424884      6.270268
  O      -6.194801     -2.500988      4.840380
  C      -7.105191     -1.998585      3.988708
  N      -8.185310     -1.374501      4.431805
  C      -9.056229     -0.914105      3.499870
  N      -8.962659     -1.012906      2.186637
  C      -7.841645     -1.645025      1.716208
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  C      -6.482477     -2.428947     -0.113698
  C      -5.565860     -2.921732      0.834135
  N      -5.723473     -2.808906      2.154553
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  H      -4.464449      5.371338      3.744308
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  H      -9.568243      1.150628     -1.542207
  H      -7.284263      1.348007     -0.626428
  H      -1.107416     -0.921793      4.713815
  H      -2.856736     -0.999794      4.522237
  H      -0.797935     -0.118403      2.472731
  H      -2.389155      0.674625      2.468685
  H      -3.538649     -1.536364      2.417650
  H      -1.972250     -2.372227      2.473898
  H      -5.319894      1.691171      0.190786
  H      -5.073882      0.045596     -4.138665
  H      -3.737283     -1.860373     -5.166325
  H      -2.200650     -3.171238     -3.711367
  H      -6.389357      0.153856      5.672332
  H      -6.761818      0.304157      7.396736
  H      -4.498452     -1.529648      6.474153
  H      -5.429100     -1.617532      7.977936
  H      -7.491377     -2.199599      6.455645
  H      -6.198876     -3.432134      6.641625
  H      -9.936777     -0.396386      3.895604
  H      -8.377116     -1.389838     -0.363175
  H      -6.275571     -2.553227     -1.177777
  H      -4.657874     -3.431291      0.497302
  N      -4.787991      1.206105      3.899600
  N      -5.441932      0.750798      2.881826
  H      -4.863819      0.369700      2.093127
  H      -6.335243      1.202754      2.614940
99
Coordinates from ORCA-job orca E -6533.131482740133
  N      -4.012348      3.775833      5.004733
  Mo     -3.854228      1.807392      5.283415
  N      -4.893336      1.046258      6.774023
  C      -4.357924      1.198590      8.124833
  C      -3.552241      2.488154      8.219375
  N      -2.640071      2.605601      7.050181
  C      -2.307872      4.015311      6.727852
  C      -3.491078      4.669129      6.036699
  C      -1.419935      1.768442      7.183786
  C      -0.964338      1.347290      5.790927
  N      -2.130913      0.867666      5.058215
  H      -3.164299      5.623767      5.584113
  H      -4.270125      4.932914      6.779457
  H      -1.452119      3.995520      6.038816
  H      -2.007420      4.564416      7.637683
  H      -0.205286      0.552066      5.881017
  H      -0.473074      2.191976      5.271329
  H      -1.694237      0.869768      7.753012
  H      -0.637564      2.311789      7.742929
  H      -5.181316      1.238278      8.862477
  H      -3.729372      0.330515      8.406804
  H      -4.240741      3.342876      8.176722
  H      -2.984899      2.547261      9.164784
  C      -4.929576      4.447693      4.085503
  C      -6.292956      4.809443      4.701731
  C      -7.156484      3.610773      5.053367
  O      -7.454669      2.891037      3.829395
  C      -8.731717      2.780932      3.421914
  N      -9.740336      3.105276      4.214860
  C     -10.987526      2.949877      3.707695
  N     -11.327829      2.530373      2.502237
  C     -10.287663      2.208241      1.669920
  C     -10.533641      1.771931      0.347726
  C      -9.452358      1.455265     -0.455095
  C      -8.147969      1.562074      0.059502
  N      -7.867335      1.973856      1.299359
  C      -8.928331      2.299622      2.087449
  C      -1.997924     -0.385114      4.310200
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  N      -5.719255     -2.793901      2.146953
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  H      -7.299782      1.305273     -0.579273
  H      -1.140652     -0.950729      4.714459
  H      -2.889656     -1.001937      4.509998
  H      -0.804834     -0.096316      2.489476
  H      -2.411169      0.666019      2.471989
  H      -3.518336     -1.563411      2.398841
  H      -1.937244     -2.372376      2.453510
  H      -5.314793      1.685302      0.181190
  H      -5.047348      0.053562     -4.152156
  H      -3.693653     -1.838061     -5.181508
  H      -2.151184     -3.142276     -3.726610
  H      -6.399439      0.169650      5.646574
  H      -6.785810      0.323680      7.367836
  H      -4.510844     -1.506596      6.465958
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  H      -7.501852     -2.183485      6.442526
  H      -6.206656     -3.412601      6.633055
  H      -9.979025     -0.451451      3.868904
  H      -8.397327     -1.443832     -0.382432
  H      -6.275128     -2.575236     -1.187333
  H      -4.643328     -3.412842      0.495410
  N      -4.787607      1.215541      3.885375
  N      -5.450967      0.758906      2.874876
  H      -4.880427      0.360063      2.091582
  H      -6.338506      1.222402      2.601526
99
Coordinates from ORCA-job orca E -6533.131850012137
  N      -4.001539      3.784041      4.989632
  Mo     -3.857478      1.815724      5.271703
  N      -4.913248      1.067803      6.758880
  C      -4.387082      1.222544      8.113022
  C      -3.568299      2.503798      8.206973
  N      -2.647543      2.604869      7.043579
  C      -2.295835      4.008124      6.714110
  C      -3.468476      4.675137      6.017618
  C      -1.439386      1.752963      7.189863
  C      -0.977228      1.317541      5.803360
  N      -2.144058      0.855255      5.060006
  H      -3.126360      5.622269      5.560426
  H      -4.245218      4.954849      6.756823
  H      -1.440310      3.971714      6.025384
  H      -1.987974      4.558317      7.620818
  H      -0.234181      0.508772      5.905645
  H      -0.464076      2.150348      5.285494
  H      -1.728808      0.860621      7.761554
  H      -0.654174      2.288839      7.752328
  H      -5.215989      1.275697      8.843709
  H      -3.770795      0.349104      8.405612
  H      -4.248195      3.365133      8.156562
  H      -3.006938      2.562114      9.155968
  C      -4.925012      4.458974      4.078803
  C      -6.283162      4.824439      4.703971
  C      -7.142888      3.629891      5.077527
  O      -7.445651      2.890677      3.867101
  C      -8.723917      2.781962      3.462812
  N      -9.729451      3.118285      4.255465
  C     -10.978219      2.964834      3.752718
  N     -11.322865      2.538309      2.550795
  C     -10.285938      2.205686      1.718404
  C     -10.537076      1.766975      0.398380
  C      -9.459165      1.441062     -0.406019
  C      -8.153685      1.538697      0.105879
  N      -7.867266      1.952402      1.344585
  C      -8.925079      2.289835      2.133782
  C      -2.018001     -0.392612      4.302518
  C      -1.862528     -0.226698      2.781062
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  O      -2.321342     -1.507508      0.667302
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  C      -4.752212      0.865421     -0.323777
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  C      -3.561611     -1.577010     -4.141660
  C      -2.687639     -2.305671     -3.317918
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  C      -3.273018     -1.089473     -1.464204
  C      -5.991601      0.094975      6.634628
  C      -5.532021     -1.352279      6.882057
  C      -6.445884     -2.391697      6.252469
  O      -6.198521     -2.467385      4.823797
  C      -7.124109     -2.002667      3.966950
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  C      -9.115694     -0.999466      3.468977
  N      -9.021663     -1.112070      2.157159
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  C      -7.660724     -1.851827      0.300594
  C      -6.490074     -2.454352     -0.131654
  C      -5.554383     -2.901048      0.820164
  N      -5.712573     -2.775329      2.139249
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  H      -7.308442      1.272890     -0.533043
  H      -1.170247     -0.971159      4.708956
  H      -2.918354     -1.000842      4.489865
  H      -0.808882     -0.080720      2.497642
  H      -2.424977      0.660352      2.463884
  H      -3.502345     -1.583897      2.378374
  H      -1.909603     -2.371264      2.434791
  H      -5.331037      1.653563      0.169525
  H      -5.019223      0.046048     -4.173143
  H      -3.635059     -1.821413     -5.202506
  H      -2.084064     -3.112799     -3.744881
  H      -6.407412      0.179016      5.623437
  H      -6.808834      0.342220      7.340573
  H      -4.518796     -1.483139      6.466890
  H      -5.464506     -1.560604      7.962084
  H      -7.507157     -2.173247      6.429919
  H      -6.206913     -3.395884      6.629033
  H     -10.014767     -0.511739      3.860345
  H      -8.423025     -1.491147     -0.390205
  H      -6.280962     -2.583834     -1.194731
  H      -4.630296     -3.384606      0.488487
  N      -4.790116      1.225967      3.871921
  N      -5.461960      0.769689      2.867244
  H      -4.898236      0.352301      2.089837
  H      -6.343000      1.243811      2.583749
99
Coordinates from ORCA-job orca E -6533.131250924882
  N      -3.968301      3.806022      4.969230
  Mo     -3.856157      1.837720      5.251156
  N      -4.938295      1.106569      6.728855
  C      -4.426748      1.258295      8.088364
  C      -3.586610      2.527117      8.186148
  N      -2.652980      2.608353      7.032817
  C      -2.269128      4.003642      6.699852
  C      -3.424133      4.691841      5.994545
  C      -1.462427      1.734861      7.195746
  C      -0.990555      1.284439      5.817142
  N      -2.158693      0.848170      5.059674
  H      -3.061182      5.630882      5.535141
  H      -4.198914      4.989259      6.727102
  H      -1.411565      3.946684      6.015045
  H      -1.953072      4.550890      7.605035
  H      -0.271326      0.455278      5.936022
  H      -0.446998      2.101997      5.303008
  H      -1.774867      0.847861      7.767149
  H      -0.672787      2.258316      7.766613
  H      -5.264132      1.328737      8.807680
  H      -3.830019      0.375947      8.393761
  H      -4.252386      3.398030      8.126828
  H      -3.033966      2.580648      9.139892
  C      -4.896896      4.484429      4.066041
  C      -6.246091      4.859181      4.703775
  C      -7.097521      3.673209      5.114803
  O      -7.414829      2.900150      3.932801
  C      -8.702701      2.781255      3.546225
  N      -9.694979      3.150189      4.348704
  C     -10.955963      2.994320      3.868196
  N     -11.324172      2.536768      2.676722
  C     -10.301263      2.173117      1.832394
  C     -10.580053      1.714188      0.517470
  C      -9.516045      1.367562     -0.304784
  C      -8.197918      1.460631      0.185705
  N      -7.885079      1.889619      1.419846
  C      -8.929040      2.252118      2.226743
  C      -2.049743     -0.393518      4.304530
  C      -1.885478     -0.228142      2.794374
  C      -2.442999     -1.472081      2.121576
  O      -2.308992     -1.511767      0.680765
  C      -3.181708     -0.810852     -0.057416
  N      -3.956545      0.132306      0.492151
  C      -4.747347      0.844336     -0.345032
  N      -4.879420      0.704878     -1.650408
  C      -4.125408     -0.297262     -2.224556
  C      -4.218850     -0.566389     -3.607053
  C      -3.441378     -1.589058     -4.148281
  C      -2.586520     -2.316774     -3.306261
  N      -2.463374     -2.098281     -1.993378
  C      -3.225848     -1.102585     -1.461273
  C      -6.012160      0.127716      6.587990
  C      -5.544234     -1.316623      6.836972
  C      -6.447236     -2.363047      6.198691
  O      -6.201246     -2.423741      4.769290
  C      -7.151855     -2.000322      3.914559
  N      -8.276132     -1.470401      4.357358
  C      -9.187687     -1.105181      3.426758
  N      -9.094046     -1.217973      2.113547
  C      -7.928421     -1.741858      1.641004
  C      -7.711896     -1.880730      0.246747
  C      -6.519171     -2.417927     -0.195038
  C      -5.565574     -2.812453      0.752457
  N      -5.722852     -2.692950      2.075908
  C      -6.887237     -2.163990      2.511506
  H      -4.422110      5.411967      3.697228
  H      -5.071615      3.837405      3.198226
  H      -6.085212      5.485265      5.595071
  H      -6.814185      5.475364      3.988808
  H      -8.028990      3.990028      5.600507
  H      -6.551982      2.995205      5.784607
  H     -11.758510      3.291348      4.558649
  H     -11.621381      1.648347      0.188857
  H      -9.682926      1.017177     -1.329728
  H      -7.364162      1.178722     -0.466428
  H      -1.214609     -0.985094      4.710718
  H      -2.963221     -0.983370      4.484162
  H      -0.837450     -0.064069      2.528482
  H      -2.456772      0.641208      2.469547
  H      -3.500500     -1.597575      2.379418
  H      -1.905175     -2.369608      2.454226
  H      -5.344021      1.630056      0.138344
  H      -4.899488      0.032746     -4.210738
  H      -3.486197     -1.832798     -5.212534
  H      -1.968877     -3.122546     -3.722086
  H      -6.413153      0.207276      5.569316
  H      -6.843461      0.368770      7.283201
  H      -4.525152     -1.438986      6.428154
  H      -5.484117     -1.526148      7.916210
  H      -7.514025     -2.159560      6.377750
  H      -6.195384     -3.368600      6.567563
  H     -10.105161     -0.667143      3.822825
  H      -8.490179     -1.564704     -0.440324
  H      -6.307394     -2.536365     -1.262178
  H      -4.625876     -3.246313      0.412231
  N      -4.800957      1.250678      3.858150
  N      -5.482767      0.782376      2.870039
  H      -4.928962      0.336244      2.102074
  H      -6.353067      1.285428      2.576535
99
Coordinates from ORCA-job orca E -6533.131618216382
  N      -3.956045      3.809295      4.957195
  Mo     -3.853187      1.850294      5.232534
  N      -4.956537      1.127811      6.698020
  C      -4.463931      1.280742      8.064793
  C      -3.616728      2.540227      8.174633
  N      -2.669690      2.607501      7.035630
  C      -2.266016      3.993784      6.702688
  C      -3.406105      4.692197      5.987176
  C      -1.493719      1.724086      7.217737
  C      -1.002668      1.262115      5.843593
  N      -2.161746      0.839961      5.064886
  H      -3.024811      5.624624      5.528092
  H      -4.184011      5.003670      6.713644
  H      -1.406300      3.921904      6.023296
  H      -1.947355      4.541195      7.608797
  H      -0.303396      0.423403      5.976231
  H      -0.433741      2.066606      5.339026
  H      -1.826211      0.843091      7.786984
  H      -0.707521      2.242744      7.801878
  H      -5.310645      1.362021      8.769421
  H      -3.881768      0.397147      8.382627
  H      -4.273533      3.413639      8.105384
  H      -3.076705      2.593841      9.136195
  C      -4.890760      4.493868      4.064316
  C      -6.238722      4.862425      4.711777
  C      -7.096099      3.678603      5.141360
  O      -7.428670      2.882026      3.975761
  C      -8.711275      2.768999      3.588043
  N      -9.702355      3.164142      4.371905
  C     -10.952089      3.020495      3.883779
  N     -11.309950      2.555606      2.701164
  C     -10.287823      2.166546      1.876349
  C     -10.550107      1.711944      0.569746
  C      -9.483273      1.348512     -0.233431
  C      -8.179972      1.416384      0.268767
  N      -7.884730      1.838172      1.497102
  C      -8.929410      2.222762      2.284050
  C      -2.055311     -0.395195      4.290293
  C      -1.889088     -0.206419      2.776646
  C      -2.413877     -1.466050      2.102881
  O      -2.287639     -1.496381      0.659754
  C      -3.165246     -0.798040     -0.075160
  N      -3.921663      0.148370      0.475253
  C      -4.708692      0.863629     -0.362292
  N      -4.853551      0.723655     -1.666970
  C      -4.118264     -0.283552     -2.241080
  C      -4.221105     -0.552648     -3.623993
  C      -3.465307     -1.582285     -4.163749
  C      -2.617951     -2.316382     -3.321794
  N      -2.482183     -2.095393     -2.010090
  C      -3.225638     -1.093446     -1.479146
  C      -6.024617      0.149653      6.555076
  C      -5.556114     -1.289429      6.827591
  C      -6.450257     -2.343991      6.195197
  O      -6.191018     -2.419889      4.766727
  C      -7.142843     -2.012087      3.903635
  N      -8.274400     -1.473510      4.339967
  C      -9.193007     -1.119008      3.404305
  N      -9.103417     -1.247240      2.091332
  C      -7.927948     -1.779796      1.624430
  C      -7.713429     -1.931359      0.229247
  C      -6.513787     -2.477615     -0.207428
  C      -5.547330     -2.866259      0.745937
  N      -5.700241     -2.731982      2.069182
  C      -6.874156     -2.194773      2.499737
  H      -4.418998      5.425438      3.695674
  H      -5.069908      3.851822      3.190739
  H      -6.074196      5.497268      5.599289
  H      -6.810891      5.473774      3.991846
  H      -8.023868      4.009724      5.624681
  H      -6.551539      3.006566      5.823358
  H     -11.753805      3.342082      4.556026
  H     -11.579989      1.666444      0.229571
  H      -9.641547      1.005418     -1.251860
  H      -7.342967      1.121052     -0.363747
  H      -1.224817     -1.006368      4.686804
  H      -2.975810     -0.978504      4.463056
  H      -0.836422     -0.003500      2.512658
  H      -2.499062      0.650014      2.450912
  H      -3.469131     -1.621971      2.363580
  H      -1.848788     -2.352738      2.430929
  H      -5.287219      1.657629      0.117569
  H      -4.890907      0.051951     -4.230999
  H      -3.520594     -1.827011     -5.227433
  H      -2.017282     -3.128234     -3.737307
  H      -6.415502      0.221269      5.533067
  H      -6.860110      0.395739      7.237608
  H      -4.534829     -1.415218      6.429879
  H      -5.505617     -1.484370      7.910325
  H      -7.515904     -2.138149      6.362084
  H      -6.201246     -3.343715      6.578483
  H     -10.116506     -0.673191      3.796101
  H      -8.500730     -1.617859     -0.463125
  H      -6.305344     -2.605211     -1.275093
  H      -4.600215     -3.302827      0.409768
  N      -4.797439      1.275449      3.838549
  N      -5.482860      0.798348      2.858145
  H      -4.942308      0.325498      2.097332
  H      -6.336151      1.344774      2.540715
99
Coordinates from ORCA-job orca E -6533.128684047965
  N      -3.955432      3.809693      4.947809
  Mo     -3.847333      1.827712      5.243343
  N      -4.961975      1.114939      6.717707
  C      -4.479400      1.277605      8.093587
  C      -3.631514      2.536185      8.191179
  N      -2.668326      2.590682      7.050379
  C      -2.261340      3.979003      6.701561
  C      -3.402475      4.686469      5.968670
  C      -1.486713      1.696872      7.248669
  C      -0.990396      1.233305      5.883368
  N      -2.154358      0.818064      5.093007
  H      -3.016307      5.610813      5.501178
  H      -4.184874      5.006420      6.687359
  H      -1.389228      3.897616      6.023848
  H      -1.950072      4.530622      7.607165
  H      -0.284547      0.392286      6.024044
  H      -0.417421      2.039414      5.376122
  H      -1.824517      0.821661      7.825068
  H      -0.696574      2.208291      7.828061
  H      -5.340501      1.370519      8.797230
  H      -3.893125      0.387129      8.430854
  H      -4.293833      3.419112      8.106233
  H      -3.097396      2.592522      9.160907
  C      -4.884820      4.493759      4.047571
  C      -6.238531      4.875584      4.674978
  C      -7.100121      3.704252      5.103364
  O      -7.421967      2.914940      3.941660
  C      -8.707025      2.786654      3.552490
  N      -9.703347      3.168007      4.330053
  C     -10.955363      3.008744      3.834836
  N     -11.311961      2.541035      2.649434
  C     -10.286010      2.161315      1.831510
  C     -10.549832      1.686604      0.521563
  C      -9.481130      1.328425     -0.278380
  C      -8.174257      1.426156      0.228378
  N      -7.876799      1.864505      1.461486
  C      -8.923919      2.237974      2.246997
  C      -2.053656     -0.424902      4.281864
  C      -1.868169     -0.208015      2.753302
  C      -2.383497     -1.457556      2.036515
  O      -2.242920     -1.462881      0.598307
  C      -3.138166     -0.766100     -0.112525
  N      -3.907373      0.155640      0.456025
  C      -4.728519      0.864035     -0.351322
  N      -4.909687      0.733548     -1.640812
  C      -4.166445     -0.248536     -2.230221
  C      -4.311888     -0.504840     -3.592078
  C      -3.533162     -1.502368     -4.151850
  C      -2.626036     -2.218357     -3.348006
  N      -2.459021     -2.012937     -2.052975
  C      -3.221260     -1.040690     -1.503647
  C      -6.032903      0.140801      6.577134
  C      -5.571633     -1.301156      6.863997
  C      -6.469817     -2.349177      6.232515
  O      -6.206653     -2.420756      4.805130
  C      -7.141681     -1.992283      3.941267
  N      -8.262085     -1.427189      4.370531
  C      -9.165840     -1.063255      3.429569
  N      -9.068891     -1.209267      2.122998
  C      -7.902293     -1.772056      1.665933
  C      -7.680106     -1.957831      0.282110
  C      -6.493267     -2.551389     -0.136658
  C      -5.544120     -2.944231      0.817359
  N      -5.702554     -2.770569      2.125900
  C      -6.866056     -2.194538      2.542672
  H      -4.402290      5.412522      3.675481
  H      -5.067054      3.852979      3.186459
  H      -6.079180      5.510054      5.554164
  H      -6.804050      5.481719      3.953257
  H      -8.031611      4.032735      5.580260
  H      -6.559311      3.037318      5.781861
  H     -11.760505      3.315458      4.501671
  H     -11.585054      1.617221      0.178812
  H      -9.636584      0.964142     -1.299138
  H      -7.336745      1.132261     -0.404440
  H      -1.231672     -1.054028      4.687044
  H      -2.973006     -1.020630      4.423032
  H      -0.814353     -0.019855      2.482732
  H      -2.463498      0.675407      2.456494
  H      -3.452431     -1.628977      2.290325
  H      -1.814512     -2.350194      2.338085
  H      -5.301859      1.645125      0.144699
  H      -5.032904      0.084421     -4.166564
  H      -3.614992     -1.735386     -5.201134
  H      -2.006545     -3.005093     -3.780683
  H      -6.425528      0.211551      5.549287
  H      -6.869931      0.397316      7.260574
  H      -4.553775     -1.440009      6.470379
  H      -5.523618     -1.487389      7.951894
  H      -7.530599     -2.133666      6.401282
  H      -6.230239     -3.351296      6.611385
  H     -10.082618     -0.603005      3.815456
  H      -8.453329     -1.640986     -0.411484
  H      -6.282826     -2.716025     -1.190177
  H      -4.608420     -3.423072      0.497059
  N      -4.774785      1.259680      3.837114
  N      -5.453872      0.804727      2.836685
  H      -4.898477      0.354966      2.071235
  H      -6.301580      1.308329      2.516386
99
Coordinates from ORCA-job orca E -6533.126801191551
  N      -3.982216      3.795569      4.968647
  Mo     -3.855824      1.833882      5.251777
  N      -4.950212      1.101050      6.724088
  C      -4.453562      1.265861      8.090977
  C      -3.621190      2.535555      8.196739
  N      -2.673467      2.612360      7.052233
  C      -2.287775      4.002661      6.715208
  C      -3.437502      4.686814      6.000080
  C      -1.482429      1.743265      7.227601
  C      -0.995758      1.278808      5.854647
  N      -2.154948      0.840234      5.084643
  H      -3.065290      5.620900      5.537303
  H      -4.217162      4.992088      6.730395
  H      -1.427280      3.939661      6.034210
  H      -1.974297      4.555267      7.619725
  H      -0.280820      0.449178      5.984131
  H      -0.446332      2.086261      5.338781
  H      -1.794079      0.868581      7.804388
  H      -0.702747      2.274128      7.793541
  H      -5.300776      1.337036      8.800493
  H      -3.855778      0.388847      8.407773
  H      -4.289437      3.406341      8.126237
  H      -3.080036      2.593050      9.159152
  C      -4.914944      4.476489      4.070791
  C      -6.264953      4.835098      4.720001
  C      -7.092021      3.629566      5.128494
  O      -7.394751      2.862529      3.923720
  C      -8.688044      2.746865      3.546588
  N      -9.686516      3.085548      4.349734
  C     -10.947928      2.937343      3.867518
  N     -11.312072      2.522401      2.676788
  C     -10.284199      2.186691      1.836600
  C     -10.557214      1.759658      0.523357
  C      -9.487862      1.433478     -0.292200
  C      -8.170526      1.518143      0.204902
  N      -7.865202      1.918268      1.440184
  C      -8.912032      2.255872      2.233693
  C      -2.050119     -0.402922      4.303351
  C      -1.860204     -0.208639      2.789961
  C      -2.392419     -1.451004      2.087177
  O      -2.250997     -1.479201      0.645472
  C      -3.129408     -0.780039     -0.103710
  N      -3.895848      0.178169      0.431509
  C      -4.704642      0.875424     -0.419859
  N      -4.879553      0.698306     -1.726062
  C      -4.139395     -0.321236     -2.288260
  C      -4.285403     -0.636193     -3.670485
  C      -3.509606     -1.671948     -4.197481
  C      -2.605380     -2.366851     -3.342384
  N      -2.441909     -2.109496     -2.028300
  C      -3.201901     -1.101135     -1.510891
  C      -6.012843      0.102024      6.580140
  C      -5.546797     -1.341981      6.822195
  C      -6.457160     -2.375541      6.203031
  O      -6.226484     -2.396977      4.781875
  C      -7.166209     -1.962707      3.940568
  N      -8.287737     -1.433095      4.369578
  C      -9.190757     -1.070854      3.433028
  N      -9.091353     -1.185010      2.126681
  C      -7.921785     -1.708349      1.677438
  C      -7.700082     -1.850422      0.294546
  C      -6.511485     -2.403365     -0.122641
  C      -5.561532     -2.801424      0.837469
  N      -5.722561     -2.670518      2.147579
  C      -6.888523     -2.130313      2.556964
  H      -4.439254      5.415876      3.709742
  H      -5.090630      3.834659      3.186483
  H      -6.109431      5.462503      5.618276
  H      -6.840860      5.446235      4.010030
  H      -8.021882      3.924070      5.623332
  H      -6.535025      2.954413      5.796759
  H     -11.754894      3.197757      4.556632
  H     -11.600319      1.694684      0.191432
  H      -9.649069      1.100624     -1.316293
  H      -7.333786      1.242036     -0.442213
  H      -1.233018     -1.014248      4.715387
  H      -2.971436     -0.993477      4.456478
  H      -0.814377     -0.028424      2.529558
  H      -2.435172      0.659492      2.482610
  H      -3.456674     -1.598107      2.337617
  H      -1.844051     -2.345164      2.405453
  H      -5.274763      1.684943      0.051501
  H      -5.004567     -0.061492     -4.286954
  H      -3.593796     -1.950657     -5.260237
  H      -1.986983     -3.181213     -3.747407
  H      -6.413694      0.189689      5.569428
  H      -6.840512      0.325978      7.279093
  H      -4.539592     -1.467733      6.399242
  H      -5.472909     -1.551854      7.900296
  H      -7.513788     -2.181457      6.414762
  H      -6.204058     -3.381709      6.543128
  H     -10.108170     -0.639511      3.815183
  H      -8.474323     -1.529811     -0.402690
  H      -6.299042     -2.531151     -1.177221
  H      -4.622252     -3.246549      0.519252
  N      -4.777255      1.274142      3.834008
  N      -5.461097      0.835128      2.821038
  H      -4.897405      0.410462      2.061672
  H      -6.304828      1.306170      2.489012
99
Coordinates from ORCA-job orca E -6533.129190138697
  N      -3.971860      3.805132      4.959676
  Mo     -3.864044      1.841873      5.239966
  N      -4.947626      1.118142      6.713972
  C      -4.438947      1.277110      8.068195
  C      -3.594573      2.543876      8.163902
  N      -2.663884      2.612444      7.015425
  C      -2.270452      4.000047      6.674208
  C      -3.415416      4.693070      5.976092
  C      -1.483150      1.735321      7.175951
  C      -1.015416      1.268283      5.805856
  N      -2.175472      0.841084      5.056219
  H      -3.044711      5.622501      5.510473
  H      -4.178739      5.006447      6.707905
  H      -1.424740      3.931094      5.987602
  H      -1.943797      4.551240      7.570875
  H      -0.308966      0.432605      5.929218
  H      -0.468882      2.068403      5.289699
  H      -1.795044      0.859488      7.749377
  H      -0.696702      2.258566      7.737062
  H      -5.270685      1.352540      8.782184
  H      -3.850525      0.397010      8.373150
  H      -4.251608      3.415931      8.102598
  H      -3.043481      2.598529      9.113076
  C      -4.910939      4.487999      4.071060
  C      -6.251388      4.863914      4.726229
  C      -7.093296      3.673654      5.153549
  O      -7.412820      2.891460      3.968422
  C      -8.700332      2.781456      3.589783
  N      -9.690131      3.154817      4.396537
  C     -10.952505      3.006982      3.922194
  N     -11.323605      2.554600      2.733343
  C     -10.302533      2.187220      1.884493
  C     -10.582008      1.733789      0.571844
  C      -9.519244      1.381178     -0.252482
  C      -8.202373      1.461963      0.235267
  N      -7.890543      1.884548      1.467817
  C      -8.930790      2.255197      2.275192
  C      -2.060320     -0.383266      4.310408
  C      -1.888606     -0.222419      2.809090
  C      -2.426915     -1.474002      2.132476
  O      -2.283105     -1.508409      0.690409
  C      -3.153498     -0.814997     -0.053178
  N      -3.933608      0.125066      0.497472
  C      -4.717314      0.834869     -0.340588
  N      -4.841056      0.691678     -1.649565
  C      -4.082114     -0.311717     -2.225796
  C      -4.167241     -0.587944     -3.611987
  C      -3.384607     -1.610415     -4.154231
  C      -2.535942     -2.331906     -3.312811
  N      -2.420028     -2.106862     -1.996506
  C      -3.186864     -1.111099     -1.461623
  C      -6.015967      0.132442      6.573950
  C      -5.540584     -1.311136      6.818413
  C      -6.439896     -2.365521      6.179581
  O      -6.198784     -2.416884      4.746537
  C      -7.158203     -2.001479      3.890666
  N      -8.291373     -1.462153      4.338889
  C      -9.217565     -1.102126      3.409660
  N      -9.134445     -1.224011      2.095253
  C      -7.957162     -1.754678      1.615265
  C      -7.748658     -1.896568      0.217444
  C      -6.546298     -2.441345     -0.231517
  C      -5.573924     -2.838724      0.712888
  N      -5.721300     -2.713442      2.038934
  C      -6.896146     -2.175819      2.482024
  H      -4.439511      5.418275      3.699680
  H      -5.096594      3.842457      3.199848
  H      -6.081259      5.498667      5.615494
  H      -6.829265      5.475593      4.011644
  H      -8.020970      3.992148      5.646087
  H      -6.538993      2.997100      5.829039
  H     -11.755952      3.301670      4.616358
  H     -11.621733      1.674935      0.245911
  H      -9.688153      1.033167     -1.274634
  H      -7.368103      1.172698     -0.413561
  H      -1.231246     -0.969314      4.719169
  H      -2.975042     -0.966681      4.490795
  H      -0.838033     -0.038199      2.552807
  H      -2.472295      0.632033      2.476513
  H      -3.481240     -1.614814      2.384950
  H      -1.878326     -2.362901      2.466742
  H      -5.319341      1.620854      0.144508
  H      -4.842571      0.005051     -4.216225
  H      -3.426073     -1.859179     -5.220649
  H      -1.915276     -3.137518     -3.729559
  H      -6.416695      0.211484      5.559721
  H      -6.846481      0.368116      7.267713
  H      -4.517740     -1.426475      6.407009
  H      -5.477758     -1.522126      7.896212
  H      -7.512091     -2.175225      6.365657
  H      -6.172503     -3.373785      6.545983
  H     -10.143141     -0.651005      3.808784
  H      -8.542097     -1.578148     -0.466547
  H      -6.340710     -2.562348     -1.301748
  H      -4.626541     -3.278541      0.368059
  N      -4.813016      1.262794      3.848934
  N      -5.503966      0.797814      2.863459
  H      -4.951106      0.348170      2.101721
  H      -6.371614      1.322938      2.558458
99
Coordinates from ORCA-job orca E -6533.127398385129
  N      -3.960213      3.806769      4.968171
  Mo     -3.838399      1.835485      5.250803
  N      -4.936402      1.113844      6.721279
  C      -4.448863      1.272253      8.090493
  C      -3.611017      2.536316      8.193170
  N      -2.658962      2.601925      7.053123
  C      -2.264950      3.991499      6.714241
  C      -3.409476      4.686437      5.992981
  C      -1.475591      1.716438      7.242067
  C      -0.979807      1.261945      5.868840
  N      -2.142896      0.839103      5.084770
  H      -3.028986      5.617212      5.530801
  H      -4.189252      4.998648      6.715576
  H      -1.400208      3.922998      6.036563
  H      -1.954512      4.542641      7.620307
  H      -0.271943      0.425875      6.003294
  H      -0.407870      2.076234      5.364873
  H      -1.815114      0.831803      7.815764
  H      -0.683615      2.232814      7.830367
  H      -5.298982      1.351202      8.795566
  H      -3.858498      0.390276      8.412998
  H      -4.274095      3.409354      8.116826
  H      -3.073269      2.593623      9.157444
  C      -4.888486      4.494725      4.069148
  C      -6.245456      4.868791      4.696129
  C      -7.118883      3.689568      5.111965
  O      -7.441832      2.898650      3.948144
  C      -8.713212      2.770106      3.544751
  N      -9.715273      3.131891      4.319293
  C     -10.955136      2.954027      3.817105
  N     -11.297693      2.482941      2.627244
  C     -10.264704      2.127995      1.809230
  C     -10.506115      1.662472      0.498476
  C      -9.428006      1.322555     -0.293577
  C      -8.135564      1.423813      0.220694
  N      -7.861693      1.860628      1.453975
  C      -8.914925      2.224509      2.234886
  C      -2.046246     -0.409117      4.282066
  C      -1.881471     -0.214976      2.750190
  C      -2.432889     -1.460979      2.073600
  O      -2.316026     -1.493322      0.630738
  C      -3.181138     -0.790111     -0.104104
  N      -3.913056      0.163658      0.443621
  C      -4.687440      0.884466     -0.390095
  N      -4.840702      0.744726     -1.686161
  C      -4.127548     -0.268523     -2.253423
  C      -4.240170     -0.533028     -3.622283
  C      -3.498711     -1.561011     -4.161854
  C      -2.661989     -2.300812     -3.333156
  N      -2.521310     -2.087756     -2.031922
  C      -3.247773     -1.084289     -1.499900
  C      -6.004816      0.137986      6.576457
  C      -5.540590     -1.301331      6.851760
  C      -6.450177     -2.352153      6.229994
  O      -6.217558     -2.411499      4.797191
  C      -7.176840     -2.001822      3.948714
  N      -8.300126     -1.477584      4.396289
  C      -9.217989     -1.124805      3.467806
  N      -9.127352     -1.246776      2.155811
  C      -7.962178     -1.761102      1.677863
  C      -7.747835     -1.900752      0.283021
  C      -6.557030     -2.422248     -0.163558
  C      -5.598823     -2.796960      0.776696
  N      -5.753230     -2.677593      2.100331
  C      -6.917922     -2.166916      2.542455
  H      -4.407768      5.418302      3.701318
  H      -5.067179      3.857051      3.202823
  H      -6.089560      5.499016      5.583623
  H      -6.805299      5.483834      3.969007
  H      -8.051925      4.020026      5.586545
  H      -6.583021      3.016016      5.794970
  H     -11.768580      3.238928      4.483914
  H     -11.528236      1.586581      0.148247
  H      -9.569681      0.968056     -1.311704
  H      -7.288804      1.142489     -0.398183
  H      -1.218857     -1.040188      4.688238
  H      -2.966754     -0.994079      4.437882
  H      -0.819125     -0.037823      2.464645
  H      -2.483211      0.672254      2.431498
  H      -3.487580     -1.602589      2.341488
  H      -1.877701     -2.355948      2.395352
  H      -5.246442      1.689494      0.084139
  H      -4.904296      0.075199     -4.216326
  H      -3.557912     -1.799470     -5.216982
  H      -2.073019     -3.111887     -3.749237
  H      -6.398337      0.215347      5.552586
  H      -6.838790      0.384313      7.261999
  H      -4.527190     -1.435004      6.444667
  H      -5.478363     -1.491647      7.938506
  H      -7.512425     -2.155702      6.422377
  H      -6.191474     -3.356835      6.600082
  H     -10.134176     -0.679959      3.862740
  H      -8.526699     -1.594985     -0.399529
  H      -6.349010     -2.540664     -1.231786
  H      -4.657866     -3.210453      0.432150
  N      -4.769647      1.255425      3.851912
  N      -5.439140      0.789086      2.860744
  H      -4.886090      0.332562      2.089980
  H      -6.315195      1.336871      2.552206
99
Coordinates from ORCA-job orca E -6533.128169382875
  N      -3.956947      3.813528      4.957062
  Mo     -3.848336      1.839181      5.242897
  N      -4.962202      1.121361      6.713672
  C      -4.483129      1.279608      8.091805
  C      -3.632514      2.539129      8.196513
  N      -2.669263      2.602072      7.057457
  C      -2.259783      3.991079      6.719153
  C      -3.400822      4.695389      5.986316
  C      -1.487781      1.710986      7.254124
  C      -0.990292      1.255292      5.877324
  N      -2.157100      0.831577      5.080600
  H      -3.010110      5.627137      5.521659
  H      -4.184960      5.011493      6.710975
  H      -1.384664      3.915742      6.043533
  H      -1.948211      4.538886      7.629274
  H      -0.285319      0.415451      6.015444
  H      -0.413360      2.071294      5.372085
  H      -1.830993      0.826199      7.829231
  H      -0.693950      2.226958      7.844516
  H      -5.347282      1.368146      8.793123
  H      -3.898147      0.390232      8.427894
  H      -4.293850      3.419738      8.115664
  H      -3.099048      2.591630      9.168724
  C      -4.885981      4.497709      4.055502
  C      -6.235055      4.885697      4.689399
  C      -7.092855      3.716453      5.128340
  O      -7.421192      2.912060      3.977400
  C      -8.709448      2.788068      3.592170
  N      -9.701778      3.181289      4.376572
  C     -10.956728      3.027829      3.888758
  N     -11.319770      2.556079      2.704381
  C     -10.297355      2.166908      1.878789
  C     -10.567089      1.694448      0.569965
  C      -9.500832      1.326346     -0.235420
  C      -8.189964      1.412985      0.266916
  N      -7.887216      1.852037      1.497006
  C      -8.932285      2.234863      2.286408
  C      -2.062785     -0.422562      4.293765
  C      -1.859995     -0.220196      2.771257
  C      -2.394453     -1.463930      2.062669
  O      -2.237462     -1.476254      0.625116
  C      -3.124052     -0.768942     -0.109617
  N      -3.907264      0.169040      0.438761
  C      -4.727930      0.871765     -0.397874
  N      -4.897655      0.723189     -1.696903
  C      -4.139963     -0.270172     -2.270237
  C      -4.279353     -0.550722     -3.646089
  C      -3.487303     -1.559880     -4.186420
  C      -2.569557     -2.261093     -3.348830
  N      -2.412039     -2.036381     -2.041628
  C      -3.189577     -1.054898     -1.511342
  C      -6.033994      0.148065      6.562835
  C      -5.568360     -1.291887      6.847564
  C      -6.458495     -2.341177      6.205882
  O      -6.186625     -2.420166      4.776709
  C      -7.127951     -1.999922      3.909947
  N      -8.252167     -1.436345      4.346197
  C      -9.171271     -1.076491      3.409817
  N      -9.093216     -1.222970      2.097880
  C      -7.921589     -1.782153      1.631127
  C      -7.721552     -1.962566      0.237979
  C      -6.530524     -2.547439     -0.193940
  C      -5.555375     -2.941060      0.759862
  N      -5.694128     -2.776671      2.079347
  C      -6.863232     -2.204761      2.506407
  H      -4.402789      5.419989      3.680713
  H      -5.071261      3.851523      3.191465
  H      -6.071301      5.525880      5.565126
  H      -6.801743      5.488820      3.965811
  H      -8.021751      4.048636      5.608441
  H      -6.548450      3.057361      5.810003
  H     -11.759110      3.343713      4.562763
  H     -11.603665      1.634542      0.231661
  H      -9.662539      0.963903     -1.254860
  H      -7.351897      1.113303     -0.367003
  H      -1.250038     -1.050297      4.710878
  H      -2.989577     -1.008744      4.437882
  H      -0.805471     -0.054196      2.511110
  H      -2.431231      0.671761      2.461755
  H      -3.467116     -1.615621      2.302888
  H      -1.841415     -2.364193      2.379616
  H      -5.308253      1.665821      0.081898
  H      -5.008833      0.028169     -4.249059
  H      -3.564876     -1.811848     -5.245585
  H      -1.936954     -3.054453     -3.764513
  H      -6.417696      0.216674      5.530185
  H      -6.879445      0.402643      7.239848
  H      -4.546241     -1.428291      6.461885
  H      -5.530402     -1.478587      7.932874
  H      -7.518665     -2.127759      6.367413
  H      -6.218905     -3.340004      6.587083
  H     -10.088236     -0.616164      3.801528
  H      -8.514152     -1.645527     -0.454255
  H      -6.334774     -2.704362     -1.256862
  H      -4.613391     -3.410131      0.427614
  N      -4.789584      1.271263      3.840716
  N      -5.470159      0.808585      2.845378
  H      -4.922957      0.357724      2.080840
  H      -6.311832      1.307923      2.525108
99
Coordinates from ORCA-job orca E -6533.128551192530
  N      -3.988158      3.799773      4.950343
  Mo     -3.865921      1.833669      5.220306
  N      -4.946662      1.101278      6.692563
  C      -4.443038      1.262340      8.049116
  C      -3.608022      2.531423      8.150264
  N      -2.674726      2.607367      7.004151
  C      -2.288201      3.996341      6.668354
  C      -3.436436      4.686793      5.969067
  C      -1.490650      1.735498      7.165725
  C      -1.016026      1.272070      5.798966
  N      -2.167641      0.840309      5.040848
  H      -3.070584      5.616377      5.506587
  H      -4.203441      4.996194      6.701659
  H      -1.437598      3.930985      5.983712
  H      -1.966277      4.546430      7.568313
  H      -0.305724      0.441682      5.922491
  H      -0.476291      2.071237      5.287518
  H      -1.795835      0.863717      7.732892
  H      -0.714115      2.259463      7.725570
  H      -5.281854      1.336483      8.759960
  H      -3.851081      0.382567      8.359390
  H      -4.271098      3.402333      8.088052
  H      -3.061069      2.586872      9.103653
  C      -4.932240      4.480237      4.069802
  C      -6.272511      4.842472      4.733003
  C      -7.099367      3.644211      5.155841
  O      -7.416657      2.869609      3.960868
  C      -8.711141      2.761742      3.588965
  N      -9.702109      3.126785      4.393826
  C     -10.962743      2.995271      3.915238
  N     -11.330250      2.575205      2.726804
  C     -10.309634      2.215959      1.884276
  C     -10.584733      1.796152      0.571031
  C      -9.521800      1.450973     -0.249175
  C      -8.206901      1.508452      0.245199
  N      -7.900041      1.901043      1.480672
  C      -8.940605      2.261101      2.278473
  C      -2.045647     -0.382660      4.291026
  C      -1.865933     -0.223432      2.796732
  C      -2.397068     -1.477108      2.112201
  O      -2.251943     -1.515137      0.672836
  C      -3.129596     -0.823189     -0.062097
  N      -3.912020      0.110255      0.488674
  C      -4.713109      0.813691     -0.342980
  N      -4.856217      0.669740     -1.644412
  C      -4.096039     -0.325278     -2.220054
  C      -4.200223     -0.600915     -3.596316
  C      -3.413334     -1.616320     -4.137645
  C      -2.537785     -2.329187     -3.302077
  N      -2.406218     -2.103626     -1.993936
  C      -3.178200     -1.116287     -1.462485
  C      -6.011265      0.115301      6.557312
  C      -5.551330     -1.328838      6.810043
  C      -6.455940     -2.363400      6.178351
  O      -6.210038     -2.408232      4.753157
  C      -7.152866     -1.978773      3.905853
  N      -8.272296     -1.431595      4.343041
  C      -9.180748     -1.066490      3.410878
  N      -9.091491     -1.193753      2.105646
  C      -7.923024     -1.735141      1.644817
  C      -7.705230     -1.889688      0.262237
  C      -6.513045     -2.455554     -0.163649
  C      -5.559743     -2.856344      0.786836
  N      -5.715538     -2.713288      2.095765
  C      -6.881794     -2.159395      2.515354
  H      -4.466833      5.414784      3.703680
  H      -5.116340      3.839219      3.192485
  H      -6.105423      5.472923      5.625541
  H      -6.856714      5.452502      4.028036
  H      -8.026263      3.949775      5.653539
  H      -6.536653      2.969370      5.823673
  H     -11.762484      3.286246      4.603805
  H     -11.625592      1.754642      0.241372
  H      -9.685853      1.126368     -1.273971
  H      -7.373508      1.221494     -0.402997
  H      -1.220167     -0.963995      4.700911
  H      -2.960781     -0.970727      4.465517
  H      -0.829143     -0.040910      2.549525
  H      -2.436429      0.619589      2.472466
  H      -3.459174     -1.623737      2.359691
  H      -1.846622     -2.364679      2.443965
  H      -5.307115      1.596893      0.142803
  H      -4.896446     -0.013528     -4.196534
  H      -3.467169     -1.865381     -5.195947
  H      -1.912242     -3.128980     -3.718736
  H      -6.410717      0.198075      5.545116
  H      -6.836293      0.353412      7.250236
  H      -4.538264     -1.458550      6.399523
  H      -5.491168     -1.535816      7.889530
  H      -7.514441     -2.157635      6.367015
  H      -6.210405     -3.367320      6.535731
  H     -10.095182     -0.617368      3.800236
  H      -8.483512     -1.567726     -0.427494
  H      -6.302049     -2.592692     -1.218120
  H      -4.621229     -3.316185      0.461398
  N      -4.807814      1.273184      3.821815
  N      -5.499368      0.828249      2.820377
  H      -4.935015      0.387767      2.063884
  H      -6.342919      1.321319      2.498319
99
Coordinates from ORCA-job orca E -6533.127818960371
  N      -3.964944      3.808150      4.977362
  Mo     -3.849368      1.847531      5.255983
  N      -4.945819      1.114522      6.720945
  C      -4.450212      1.271488      8.085095
  C      -3.609850      2.540418      8.191826
  N      -2.665848      2.612741      7.049424
  C      -2.269798      4.000957      6.712626
  C      -3.411016      4.695414      5.998815
  C      -1.483930      1.734473      7.219942
  C      -1.000038      1.286317      5.843370
  N      -2.156555      0.859276      5.073342
  H      -3.030468      5.621522      5.531732
  H      -4.183398      5.013158      6.723772
  H      -1.413417      3.934694      6.034235
  H      -1.952986      4.549941      7.615581
  H      -0.289396      0.454582      5.966555
  H      -0.450494      2.095991      5.338341
  H      -1.805637      0.850998      7.783593
  H      -0.699271      2.252722      7.797433
  H      -5.292350      1.343503      8.791313
  H      -3.860553      0.393464      8.397135
  H      -4.271744      3.409681      8.124519
  H      -3.067251      2.594664      9.149109
  C      -4.892681      4.493755      4.075263
  C      -6.238263      4.871510      4.718805
  C      -7.083163      3.677206      5.141575
  O      -7.387618      2.891080      3.955768
  C      -8.671431      2.770509      3.571739
  N      -9.667445      3.128249      4.377280
  C     -10.931473      2.956747      3.904396
  N     -11.299933      2.492950      2.718372
  C     -10.273799      2.144361      1.869417
  C     -10.554330      1.680623      0.557018
  C      -9.488238      1.344448     -0.268127
  C      -8.167551      1.449426      0.218198
  N      -7.855228      1.882589      1.451706
  C      -8.897977      2.239324      2.258895
  C      -2.041246     -0.377309      4.300967
  C      -1.876773     -0.190877      2.772628
  C      -2.421112     -1.460079      2.123006
  O      -2.301355     -1.504823      0.680027
  C      -3.169726     -0.811383     -0.069085
  N      -3.922070      0.148160      0.474872
  C      -4.695623      0.859276     -0.370837
  N      -4.828850      0.701217     -1.682284
  C      -4.094289     -0.321722     -2.253081
  C      -4.185869     -0.614566     -3.642424
  C      -3.428015     -1.657588     -4.177187
  C      -2.595879     -2.382491     -3.325618
  N      -2.472196     -2.140779     -2.006318
  C      -3.215847     -1.125529     -1.478774
  C      -6.021178      0.131685      6.566689
  C      -5.548958     -1.312023      6.814532
  C      -6.447144     -2.368229      6.173583
  O      -6.216190     -2.400539      4.742532
  C      -7.187086     -1.996955      3.900475
  N      -8.321917     -1.496659      4.354713
  C      -9.252532     -1.151831      3.433424
  N      -9.169416     -1.257590      2.119678
  C      -7.991455     -1.744555      1.636814
  C      -7.783314     -1.861684      0.240141
  C      -6.577830     -2.357732     -0.214781
  C      -5.603384     -2.730054      0.723563
  N      -5.752096     -2.630300      2.049855
  C      -6.929384     -2.142366      2.497425
  H      -4.410607      5.422594      3.704105
  H      -5.077894      3.847479      3.201766
  H      -6.074177      5.508431      5.609784
  H      -6.810765      5.482726      3.997511
  H      -8.016046      3.990246      5.623333
  H      -6.533185      3.004572      5.825298
  H     -11.738789      3.239096      4.598443
  H     -11.598103      1.600744      0.231942
  H      -9.658813      0.987862     -1.290414
  H      -7.330739      1.168853     -0.431094
  H      -1.204104     -0.982389      4.703648
  H      -2.953508     -0.968898      4.479849
  H      -0.794478      0.004366      2.480022
  H      -2.496843      0.690800      2.432967
  H      -3.474538     -1.609573      2.395131
  H      -1.855456     -2.346595      2.458731
  H      -5.281158      1.658887      0.108444
  H      -4.845511     -0.017765     -4.255193
  H      -3.474805     -1.918645     -5.246021
  H      -1.994281     -3.204012     -3.735508
  H      -6.411569      0.208118      5.546986
  H      -6.859474      0.370064      7.253664
  H      -4.523864     -1.424776      6.405552
  H      -5.487999     -1.524878      7.891883
  H      -7.522385     -2.186997      6.365698
  H      -6.171861     -3.379027      6.529935
  H     -10.179248     -0.730076      3.835987
  H      -8.577866     -1.560107     -0.439489
  H      -6.370970     -2.457534     -1.285499
  H      -4.651869     -3.124562      0.372185
  N      -4.789228      1.272932      3.852976
  N      -5.464328      0.803808      2.857257
  H      -4.897086      0.353081      2.101263
  H      -6.342428      1.335873      2.537782
99
Coordinates from ORCA-job orca E -6533.128226454740
  N      -3.956288      3.813396      4.962271
  Mo     -3.838644      1.840259      5.245432
  N      -4.945465      1.122374      6.715547
  C      -4.466304      1.283614      8.089988
  C      -3.624025      2.545752      8.193493
  N      -2.663904      2.606103      7.056116
  C      -2.259616      3.994176      6.714748
  C      -3.399276      4.694663      5.986042
  C      -1.484015      1.711444      7.256525
  C      -0.980818      1.247784      5.886227
  N      -2.147792      0.831180      5.091343
  H      -3.010490      5.623430      5.519709
  H      -4.179419      5.014478      6.707811
  H      -1.389688      3.919621      6.039741
  H      -1.949392      4.545955      7.621521
  H      -0.278465      0.402757      6.030511
  H      -0.394294      2.061379      5.380489
  H      -1.835196      0.828050      7.833291
  H      -0.689318      2.224269      7.848468
  H      -5.324119      1.368476      8.789840
  H      -3.880155      0.399367      8.422145
  H      -4.285183      3.422829      8.112483
  H      -3.090227      2.602233      9.161971
  C      -4.884201      4.502845      4.061219
  C      -6.237562      4.890995      4.688046
  C      -7.113520      3.721716      5.121651
  O      -7.440805      2.915512      3.970411
  C      -8.712925      2.788420      3.567158
  N      -9.713196      3.171022      4.332994
  C     -10.952433      2.994294      3.829239
  N     -11.296401      2.504318      2.644636
  C     -10.264880      2.128755      1.834733
  C     -10.507771      1.641688      0.527294
  C      -9.430694      1.283172     -0.258075
  C      -8.138033      1.387971      0.259063
  N      -7.861857      1.843336      1.489754
  C      -8.915020      2.224033      2.264133
  C      -2.071335     -0.428773      4.300081
  C      -1.889722     -0.248206      2.772803
  C      -2.460279     -1.451155      2.067524
  O      -2.319485     -1.473415      0.625463
  C      -3.167459     -0.752546     -0.114928
  N      -3.909991      0.203301      0.427124
  C      -4.688267      0.924459     -0.417428
  N      -4.842896      0.780985     -1.718182
  C      -4.122377     -0.232271     -2.281103
  C      -4.245328     -0.505385     -3.656026
  C      -3.500401     -1.537325     -4.188849
  C      -2.646064     -2.270980     -3.347332
  N      -2.498496     -2.050920     -2.041300
  C      -3.230132     -1.044944     -1.515902
  C      -6.014972      0.145632      6.572945
  C      -5.541751     -1.293059      6.858442
  C      -6.436628     -2.355765      6.228837
  O      -6.184152     -2.426880      4.796976
  C      -7.142810     -2.018199      3.940816
  N      -8.268637     -1.473483      4.389526
  C      -9.197218     -1.118165      3.460892
  N      -9.120411     -1.253301      2.145646
  C      -7.950260     -1.789886      1.664335
  C      -7.749956     -1.946632      0.264508
  C      -6.557469     -2.494833     -0.185158
  C      -5.580630     -2.881328      0.757802
  N      -5.720243     -2.743452      2.084355
  C      -6.888778     -2.203451      2.529289
  H      -4.398440      5.422899      3.686627
  H      -5.069320      3.860539      3.198508
  H      -6.075708      5.530135      5.567361
  H      -6.797342      5.500188      3.956481
  H      -8.045180      4.061446      5.593171
  H      -6.577302      3.057073      5.811849
  H     -11.764332      3.296195      4.488892
  H     -11.530155      1.564576      0.174409
  H      -9.574135      0.911490     -1.273765
  H      -7.291219      1.092704     -0.354175
  H      -1.260255     -1.073281      4.719037
  H      -3.005427     -0.994188      4.446643
  H      -0.854575     -0.116534      2.511497
  H      -2.435294      0.637248      2.460354
  H      -3.513337     -1.558943      2.317613
  H      -1.946093     -2.355988      2.382159
  H      -5.253976      1.731021      0.051548
  H      -4.924233      0.098478     -4.261477
  H      -3.569575     -1.784620     -5.247736
  H      -2.052842     -3.084330     -3.758102
  H      -6.406248      0.211230      5.547985
  H      -6.853126      0.398496      7.252257
  H      -4.518754     -1.419040      6.463986
  H      -5.491356     -1.481797      7.945048
  H      -7.504044     -2.157817      6.401148
  H      -6.177639     -3.357893      6.612040
  H     -10.115632     -0.661449      3.860341
  H      -8.542873     -1.634772     -0.418625
  H      -6.360716     -2.627249     -1.256749
  H      -4.637298     -3.320059      0.412130
  N      -4.774280      1.262680      3.846541
  N      -5.443460      0.792028      2.854621
  H      -4.895034      0.328771      2.088667
  H      -6.311450      1.335431      2.536406
99
Coordinates from ORCA-job orca E -6533.128630399438
  N      -3.977459      3.806472      4.944763
  Mo     -3.859766      1.831332      5.216885
  N      -4.949225      1.105690      6.690570
  C      -4.455381      1.263768      8.054631
  C      -3.615517      2.528476      8.156446
  N      -2.671771      2.602515      7.012443
  C      -2.276950      3.993079      6.680044
  C      -3.423947      4.689581      5.968538
  C      -1.487763      1.723533      7.185215
  C      -1.002989      1.270162      5.812839
  N      -2.159627      0.837437      5.037203
  H      -3.049176      5.623253      5.507125
  H      -4.197437      4.999514      6.700028
  H      -1.414137      3.926305      5.999052
  H      -1.960374      4.540697      7.586207
  H      -0.294013      0.437495      5.939051
  H      -0.448559      2.083064      5.307360
  H      -1.810455      0.840219      7.751809
  H      -0.703528      2.243962      7.764153
  H      -5.304102      1.343490      8.762950
  H      -3.866107      0.378431      8.374207
  H      -4.279318      3.404196      8.088496
  H      -3.073447      2.582159      9.118210
  C      -4.917387      4.485254      4.058386
  C      -6.259370      4.864880      4.712015
  C      -7.104486      3.690044      5.152104
  O      -7.438782      2.891166      3.993051
  C      -8.730764      2.780309      3.613477
  N      -9.718241      3.181121      4.399288
  C     -10.970081      3.052233      3.910697
  N     -11.333661      2.602380      2.725162
  C     -10.315572      2.208222      1.899718
  C     -10.580436      1.767508      0.589235
  C      -9.516636      1.394627     -0.215361
  C      -8.213162      1.443560      0.291036
  N      -7.914865      1.854904      1.522230
  C      -8.956409      2.244912      2.308219
  C      -2.038520     -0.401714      4.279218
  C      -1.844319     -0.221717      2.773465
  C      -2.364033     -1.501747      2.086504
  O      -2.216991     -1.528973      0.648482
  C      -3.115291     -0.828623     -0.078356
  N      -3.906613      0.097415      0.476750
  C      -4.722187      0.807505     -0.346470
  N      -4.874261      0.682458     -1.638531
  C      -4.108426     -0.297048     -2.217860
  C      -4.222175     -0.545507     -3.584468
  C      -3.424875     -1.543293     -4.132876
  C      -2.530082     -2.265585     -3.309675
  N      -2.391506     -2.066837     -2.010402
  C      -3.172465     -1.096304     -1.473450
  C      -6.017442      0.135005      6.552332
  C      -5.571077     -1.307391      6.823728
  C      -6.476707     -2.334034      6.191088
  O      -6.219675     -2.399469      4.762385
  C      -7.158259     -1.980829      3.897763
  N      -8.280076     -1.421747      4.324808
  C      -9.187897     -1.072246      3.383075
  N      -9.097600     -1.226973      2.076805
  C      -7.927404     -1.780366      1.621841
  C      -7.710892     -1.963389      0.236873
  C      -6.518437     -2.538563     -0.181459
  C      -5.561700     -2.921541      0.776723
  N      -5.716095     -2.753378      2.088798
  C      -6.884772     -2.189471      2.502532
  H      -4.445848      5.411403      3.687568
  H      -5.102000      3.841790      3.192625
  H      -6.088448      5.500737      5.589452
  H      -6.836117      5.469266      4.000611
  H      -8.031268      4.016615      5.640346
  H      -6.551865      3.030207      5.826653
  H     -11.767931      3.374371      4.584615
  H     -11.611831      1.736694      0.249346
  H      -9.671459      1.057015     -1.235760
  H      -7.378985      1.136887     -0.342297
  H      -1.212305     -0.987443      4.689781
  H      -2.952927     -0.999973      4.447859
  H      -0.780133     -0.025298      2.513187
  H      -2.439464      0.653391      2.450609
  H      -3.443235     -1.675673      2.330822
  H      -1.785622     -2.394206      2.416748
  H      -5.311403      1.585519      0.143013
  H      -4.934426      0.049590     -4.175188
  H      -3.482222     -1.772248     -5.185755
  H      -1.895908     -3.051659     -3.733057
  H      -6.407474      0.217513      5.529301
  H      -6.848795      0.384789      7.237357
  H      -4.561711     -1.454221      6.426253
  H      -5.524405     -1.501207      7.908548
  H      -7.525983     -2.115059      6.371436
  H      -6.245475     -3.333231      6.557055
  H     -10.101881     -0.612749      3.764170
  H      -8.490055     -1.654793     -0.458874
  H      -6.308546     -2.696536     -1.236956
  H      -4.622100     -3.387489      0.455748
  N      -4.808594      1.265883      3.825785
  N      -5.500036      0.819605      2.831687
  H      -4.948572      0.368341      2.072678
  H      -6.330484      1.316940      2.513345
99
Coordinates from ORCA-job orca E -6533.129709535755
  N      -3.979560      3.807123      4.962777
  Mo     -3.858747      1.845408      5.236154
  N      -4.955529      1.111868      6.702009
  C      -4.465176      1.276411      8.069457
  C      -3.626334      2.545957      8.172711
  N      -2.676339      2.614176      7.031312
  C      -2.278043      4.000897      6.690697
  C      -3.420073      4.697098      5.977265
  C      -1.494901      1.735598      7.205740
  C      -1.010353      1.278258      5.833904
  N      -2.164369      0.850992      5.062413
  H      -3.040540      5.618667      5.504892
  H      -4.190074      5.021775      6.703438
  H      -1.420024      3.929355      6.010684
  H      -1.959291      4.552094      7.592176
  H      -0.300847      0.446290      5.961636
  H      -0.462383      2.080600      5.325484
  H      -1.812497      0.859905      7.771220
  H      -0.714861      2.255162      7.776517
  H      -5.314658      1.352790      8.773997
  H      -3.873832      0.397155      8.390369
  H      -4.290091      3.417867      8.097901
  H      -3.087967      2.603735      9.134214
  C      -4.912221      4.491617      4.068570
  C      -6.251256      4.864236      4.726032
  C      -7.080298      3.665235      5.153142
  O      -7.383209      2.883574      3.959980
  C      -8.676402      2.772318      3.586378
  N      -9.673362      3.124010      4.397430
  C     -10.942667      2.964087      3.927835
  N     -11.313523      2.524140      2.743143
  C     -10.287742      2.181077      1.892530
  C     -10.571777      1.736362      0.581583
  C      -9.506530      1.398016     -0.244295
  C      -8.181476      1.482423      0.242463
  N      -7.865959      1.899676      1.475475
  C      -8.907790      2.258717      2.277364
  C      -2.046785     -0.380849      4.303242
  C      -1.881008     -0.214280      2.789337
  C      -2.434258     -1.461440      2.120011
  O      -2.293216     -1.509539      0.679333
  C      -3.147207     -0.806426     -0.068509
  N      -3.902133      0.152761      0.475263
  C      -4.678411      0.866647     -0.368621
  N      -4.812908      0.711428     -1.679488
  C      -4.075804     -0.311139     -2.251391
  C      -4.172142     -0.605741     -3.639972
  C      -3.420082     -1.656683     -4.172589
  C      -2.587619     -2.387129     -3.318324
  N      -2.458287     -2.141232     -2.000382
  C      -3.196087     -1.119625     -1.476966
  C      -6.025241      0.118930      6.549129
  C      -5.545901     -1.324613      6.804584
  C      -6.435321     -2.383073      6.163968
  O      -6.197696     -2.415246      4.737186
  C      -7.159558     -2.001490      3.899764
  N      -8.287229     -1.482979      4.351566
  C      -9.213699     -1.127000      3.431053
  N      -9.136350     -1.237847      2.121503
  C      -7.960453     -1.746588      1.645336
  C      -7.754274     -1.875445      0.255848
  C      -6.550125     -2.398761     -0.189597
  C      -5.575473     -2.783984      0.751029
  N      -5.722543     -2.670396      2.067578
  C      -6.898912     -2.157105      2.505094
  H      -4.436379      5.421415      3.695020
  H      -5.101665      3.844916      3.193369
  H      -6.083308      5.500283      5.618065
  H      -6.831279      5.473109      4.013219
  H      -8.010464      3.971141      5.642180
  H      -6.522252      2.994245      5.832239
  H     -11.748919      3.239199      4.623672
  H     -11.620343      1.668530      0.257166
  H      -9.679791      1.052651     -1.267566
  H      -7.346768      1.194065     -0.408442
  H      -1.217019     -0.979223      4.711352
  H      -2.963458     -0.965466      4.480634
  H      -0.826663     -0.042102      2.519437
  H      -2.459476      0.642849      2.456001
  H      -3.492130     -1.591220      2.376466
  H      -1.898046     -2.353360      2.458580
  H      -5.269531      1.659784      0.113886
  H      -4.832693     -0.005242     -4.255972
  H      -3.472689     -1.921733     -5.239026
  H      -1.992074     -3.215733     -3.726852
  H      -6.414685      0.187604      5.525243
  H      -6.868832      0.358202      7.233789
  H      -4.519341     -1.437162      6.403547
  H      -5.488791     -1.533167      7.882609
  H      -7.508066     -2.200669      6.352035
  H      -6.162629     -3.389977      6.519253
  H     -10.133632     -0.695650      3.832798
  H      -8.548888     -1.563506     -0.426051
  H      -6.345065     -2.510223     -1.251616
  H      -4.625512     -3.203471      0.408842
  N      -4.798672      1.286544      3.826785
  N      -5.478575      0.828470      2.820329
  H      -4.907040      0.383134      2.070080
  H      -6.334088      1.332284      2.485164
99
Coordinates from ORCA-job orca E -6533.130767604968
  N      -3.971454      3.804696      4.971832
  Mo     -3.849447      1.837028      5.241464
  N      -4.934127      1.106276      6.711892
  C      -4.435318      1.259203      8.071771
  C      -3.600933      2.527953      8.178161
  N      -2.663926      2.604726      7.035050
  C      -2.274028      3.994358      6.702078
  C      -3.417161      4.687437      5.992494
  C      -1.480986      1.725738      7.208887
  C      -0.995604      1.272208      5.838992
  N      -2.152522      0.846764      5.066582
  H      -3.040981      5.616773      5.529167
  H      -4.188129      5.001540      6.718400
  H      -1.418554      3.930831      6.022765
  H      -1.958456      4.543203      7.605361
  H      -0.285928      0.438525      5.965090
  H      -0.440148      2.083311      5.334807
  H      -1.805583      0.843182      7.773964
  H      -0.696653      2.242535      7.786979
  H      -5.274853      1.331519      8.779080
  H      -3.846596      0.379169      8.381156
  H      -4.264012      3.396130      8.117081
  H      -3.055083      2.582259      9.132481
  C      -4.902552      4.493233      4.075098
  C      -6.247457      4.879483      4.715269
  C      -7.109910      3.700806      5.146658
  O      -7.434734      2.904284      3.979314
  C      -8.708561      2.794932      3.580062
  N      -9.701863      3.189099      4.359110
  C     -10.948649      3.031843      3.866762
  N     -11.303883      2.549312      2.683296
  C     -10.279179      2.163937      1.859370
  C     -10.537701      1.687570      0.549746
  C      -9.469064      1.319528     -0.251560
  C      -8.166799      1.407606      0.253779
  N      -7.875216      1.854639      1.486850
  C      -8.921453      2.241352      2.274234
  C      -2.049569     -0.404709      4.294964
  C      -1.855888     -0.226221      2.776099
  C      -2.408525     -1.462990      2.089962
  O      -2.270820     -1.486013      0.650873
  C      -3.143446     -0.780232     -0.088060
  N      -3.916611      0.163376      0.455973
  C      -4.711883      0.870218     -0.389495
  N      -4.857521      0.720061     -1.696280
  C      -4.107293     -0.283606     -2.262277
  C      -4.216822     -0.565843     -3.644946
  C      -3.434841     -1.586658     -4.175750
  C      -2.557046     -2.299146     -3.326794
  N      -2.422989     -2.069879     -2.014713
  C      -3.191972     -1.076358     -1.491194
  C      -6.010172      0.140615      6.578575
  C      -5.557921     -1.301469      6.841339
  C      -6.462339     -2.342460      6.202458
  O      -6.213671     -2.400416      4.770460
  C      -7.176012     -1.998563      3.917207
  N      -8.307346     -1.475980      4.364910
  C      -9.235895     -1.138316      3.437578
  N      -9.152622     -1.273406      2.126661
  C      -7.977640     -1.784757      1.647398
  C      -7.768242     -1.936520      0.253234
  C      -6.567046     -2.456546     -0.194419
  C      -5.594728     -2.819939      0.745008
  N      -5.743211     -2.685992      2.066705
  C      -6.917622     -2.174279      2.509995
  H      -4.421467      5.416286      3.699999
  H      -5.090537      3.849239      3.208400
  H      -6.078366      5.516818      5.599032
  H      -6.816624      5.492716      3.992029
  H      -8.040831      4.032851      5.624810
  H      -6.564117      3.028745      5.832015
  H     -11.753631      3.345265      4.537693
  H     -11.566730      1.625862      0.207040
  H      -9.624954      0.955411     -1.270504
  H      -7.326826      1.104883     -0.373445
  H      -1.233196     -1.020611      4.716515
  H      -2.971482     -0.990722      4.448828
  H      -0.801131     -0.074431      2.511518
  H      -2.420039      0.664305      2.452420
  H      -3.467500     -1.595943      2.345075
  H      -1.865877     -2.361602      2.410351
  H      -5.294268      1.670323      0.082004
  H      -4.912246      0.022196     -4.257331
  H      -3.492947     -1.839591     -5.238904
  H      -1.933030     -3.102153     -3.734908
  H      -6.409434      0.222799      5.568340
  H      -6.828565      0.390523      7.267581
  H      -4.538589     -1.430700      6.438647
  H      -5.507112     -1.506878      7.922672
  H      -7.527167     -2.137037      6.379497
  H      -6.212464     -3.347775      6.574406
  H     -10.159667     -0.698137      3.835449
  H      -8.559802     -1.644120     -0.427389
  H      -6.361440     -2.584703     -1.261501
  H      -4.647402     -3.239522      0.400191
  N      -4.796951      1.259042      3.850564
  N      -5.474024      0.794390      2.860436
  H      -4.922066      0.322425      2.100499
  H      -6.350507      1.349244      2.544798
99
Coordinates from ORCA-job orca E -6533.128941470449
  N      -3.964413      3.825415      4.951769
  Mo     -3.841378      1.850376      5.225408
  N      -4.945769      1.120335      6.693556
  C      -4.467677      1.281911      8.069566
  C      -3.628881      2.545962      8.178005
  N      -2.668944      2.617935      7.040468
  C      -2.267160      4.009610      6.712872
  C      -3.411172      4.708663      5.985801
  C      -1.486169      1.727556      7.234651
  C      -0.980674      1.274158      5.858728
  N      -2.145279      0.849860      5.057671
  H      -3.024127      5.646523      5.525265
  H      -4.194808      5.017734      6.715288
  H      -1.393445      3.944488      6.039171
  H      -1.959226      4.553874      7.626746
  H      -0.275032      0.432385      6.000990
  H      -0.398220      2.093895      5.355848
  H      -1.835803      0.837296      7.805169
  H      -0.692888      2.241090      7.834919
  H      -5.328364      1.361071      8.769896
  H      -3.876655      0.399505      8.401220
  H      -4.294295      3.421020      8.100914
  H      -3.095203      2.599713      9.148825
  C      -4.898544      4.503237      4.053000
  C      -6.251365      4.889516      4.686646
  C      -7.106496      3.721267      5.135052
  O      -7.425334      2.902010      3.995564
  C      -8.709672      2.763299      3.601937
  N      -9.707962      3.156197      4.370340
  C     -10.954554      2.994966      3.870504
  N     -11.305916      2.518879      2.685421
  C     -10.276708      2.134768      1.873748
  C     -10.526629      1.673893      0.563702
  C      -9.450010      1.322409     -0.225750
  C      -8.151621      1.409671      0.293075
  N      -7.868263      1.835432      1.523170
  C      -8.920480      2.206877      2.298486
  C      -2.052649     -0.405004      4.290078
  C      -1.871725     -0.240293      2.770073
  C      -2.438602     -1.487659      2.090592
  O      -2.304859     -1.535894      0.646835
  C      -3.160041     -0.820089     -0.097357
  N      -3.898291      0.134703      0.450182
  C      -4.664205      0.867951     -0.382494
  N      -4.805171      0.744971     -1.677692
  C      -4.088233     -0.265409     -2.250145
  C      -4.189180     -0.509390     -3.618822
  C      -3.449269     -1.539134     -4.163472
  C      -2.626318     -2.298829     -3.336254
  N      -2.494893     -2.103159     -2.033597
  C      -3.218414     -1.098550     -1.497671
  C      -6.013515      0.136597      6.544910
  C      -5.539543     -1.305661      6.826974
  C      -6.437507     -2.361894      6.200520
  O      -6.194728     -2.419669      4.767616
  C      -7.158446     -2.012583      3.917592
  N      -8.283781     -1.477346      4.371361
  C      -9.217104     -1.127071      3.448008
  N      -9.147410     -1.256235      2.130516
  C      -7.976390     -1.781417      1.645596
  C      -7.784219     -1.928430      0.243540
  C      -6.592682     -2.476651     -0.209521
  C      -5.610510     -2.871765      0.734044
  N      -5.741367     -2.735574      2.063283
  C      -6.909598     -2.195245      2.509282
  H      -4.415502      5.427332      3.678645
  H      -5.080046      3.855657      3.190379
  H      -6.090194      5.535384      5.557989
  H      -6.818826      5.484851      3.959333
  H      -8.038944      4.050987      5.608856
  H      -6.562410      3.076510      5.823916
  H     -11.762220      3.310560      4.532985
  H     -11.554531      1.615012      0.213140
  H      -9.591734      0.974561     -1.243650
  H      -7.306032      1.122845     -0.324675
  H      -1.228155     -1.019466      4.706577
  H      -2.978296     -0.980348      4.455915
  H      -0.814423     -0.086271      2.508105
  H      -2.439314      0.643884      2.439519
  H      -3.503304     -1.611966      2.342357
  H      -1.901290     -2.390410      2.426895
  H      -5.224693      1.665846      0.099471
  H      -4.845134      0.114691     -4.209635
  H      -3.499912     -1.765449     -5.219140
  H      -2.040751     -3.112114     -3.756235
  H      -6.401350      0.203506      5.515180
  H      -6.859975      0.385611      7.226011
  H      -4.520981     -1.434925      6.428408
  H      -5.486467     -1.496073      7.914047
  H      -7.498402     -2.163471      6.386856
  H      -6.180084     -3.365677      6.570977
  H     -10.134395     -0.690728      3.853107
  H      -8.582630     -1.612142     -0.439075
  H      -6.400950     -2.605613     -1.282312
  H      -4.669522     -3.316988      0.386079
  N      -4.777243      1.275861      3.827356
  N      -5.455655      0.820296      2.831716
  H      -4.900961      0.371342      2.074346
  H      -6.296072      1.319189      2.510756
99
Coordinates from ORCA-job orca E -6533.132543570860
  N      -3.979815      3.807409      4.955594
  Mo     -3.855103      1.837628      5.227108
  N      -4.946915      1.106723      6.697642
  C      -4.460130      1.273133      8.067578
  C      -3.621450      2.540911      8.166521
  N      -2.670958      2.610311      7.023263
  C      -2.275696      3.999559      6.684136
  C      -3.420825      4.695501      5.969030
  C      -1.486528      1.731561      7.198257
  C      -1.000961      1.276272      5.825274
  N      -2.156802      0.844515      5.052391
  H      -3.044112      5.620048      5.497755
  H      -4.192103      5.017513      6.696447
  H      -1.412689      3.928828      6.003596
  H      -1.959613      4.551295      7.587436
  H      -0.290101      0.444987      5.950709
  H      -0.450581      2.086666      5.318675
  H      -1.807367      0.851044      7.765270
  H      -0.704253      2.252337      7.773770
  H      -5.315098      1.354758      8.772172
  H      -3.868895      0.389971      8.395756
  H      -4.287022      3.416260      8.090613
  H      -3.083395      2.599428      9.130912
  C      -4.917316      4.489582      4.066501
  C      -6.255112      4.870650      4.723833
  C      -7.096282      3.683364      5.157877
  O      -7.417647      2.890655      3.981054
  C      -8.704877      2.787409      3.594413
  N      -9.700951      3.169396      4.382021
  C     -10.955640      3.023643      3.893823
  N     -11.314146      2.571440      2.708833
  C     -10.288391      2.195962      1.881250
  C     -10.553415      1.738763      0.571316
  C      -9.485415      1.371290     -0.233074
  C      -8.176771      1.442302      0.271963
  N      -7.878533      1.871553      1.504393
  C      -8.924217      2.255587      2.289265
  C      -2.042937     -0.399668      4.298149
  C      -1.861097     -0.233671      2.781656
  C      -2.417647     -1.479429      2.102348
  O      -2.275445     -1.517821      0.662142
  C      -3.138400     -0.805842     -0.077701
  N      -3.905371      0.140740      0.469701
  C      -4.692623      0.859008     -0.368154
  N      -4.833506      0.721534     -1.671481
  C      -4.087371     -0.282974     -2.244201
  C      -4.191020     -0.551668     -3.623908
  C      -3.423051     -1.580181     -4.161835
  C      -2.566608     -2.313560     -3.319310
  N      -2.434668     -2.094487     -2.009026
  C      -3.188003     -1.093885     -1.480766
  C      -6.018611      0.125335      6.552173
  C      -5.552649     -1.317529      6.822139
  C      -6.447386     -2.363669      6.182724
  O      -6.199338     -2.409660      4.754731
  C      -7.157095     -1.999835      3.907514
  N      -8.283611     -1.467868      4.354238
  C      -9.210747     -1.121250      3.428839
  N      -9.134686     -1.254253      2.119439
  C      -7.960600     -1.778464      1.645360
  C      -7.757722     -1.934856      0.255624
  C      -6.558494     -2.476382     -0.185178
  C      -5.582366     -2.853763      0.757502
  N      -5.724924     -2.712538      2.073676
  C      -6.898420     -2.180793      2.508626
  H      -4.443172      5.414030      3.689360
  H      -5.108267      3.843202      3.200492
  H      -6.081791      5.506580      5.609141
  H      -6.833161      5.480326      4.011192
  H      -8.024352      4.002692      5.646499
  H      -6.540838      3.015121      5.836338
  H     -11.761562      3.325938      4.570040
  H     -11.589452      1.685458      0.231231
  H      -9.644145      1.016250     -1.253900
  H      -7.338785      1.135858     -0.360483
  H      -1.215403     -0.997192      4.712912
  H      -2.961551     -0.985126      4.471692
  H      -0.804428     -0.073452      2.516524
  H      -2.430227      0.640624      2.450955
  H      -3.482601     -1.610723      2.355104
  H      -1.878478     -2.377878      2.433187
  H      -5.279917      1.649216      0.114406
  H      -4.872229      0.051596     -4.230340
  H      -3.477609     -1.825491     -5.223157
  H      -1.956892     -3.124529     -3.733228
  H      -6.407223      0.194548      5.523816
  H      -6.861156      0.374966      7.234969
  H      -4.531100     -1.445712      6.428183
  H      -5.505908     -1.517056      7.904206
  H      -7.510685     -2.164557      6.365096
  H      -6.193769     -3.367596      6.543699
  H     -10.129665     -0.683137      3.827634
  H      -8.552482     -1.631555     -0.427629
  H      -6.357796     -2.611213     -1.245901
  H      -4.636856     -3.291362      0.418838
  N      -4.800085      1.271433      3.828814
  N      -5.484426      0.818222      2.829667
  H      -4.925010      0.355282      2.076485
  H      -6.333643      1.330766      2.501580
99
Coordinates from ORCA-job orca E -6533.131762561360
  N      -3.968880      3.812991      4.961863
  Mo     -3.849160      1.847267      5.224176
  N      -4.941038      1.111583      6.690338
  C      -4.442895      1.258130      8.049181
  C      -3.611429      2.527100      8.167139
  N      -2.670744      2.609430      7.028682
  C      -2.274804      3.999001      6.704386
  C      -3.415832      4.694781      5.991580
  C      -1.490714      1.726118      7.208431
  C      -0.996117      1.275086      5.837087
  N      -2.153108      0.854432      5.050233
  H      -3.035004      5.627202      5.532004
  H      -4.190236      5.005658      6.718661
  H      -1.415631      3.938258      6.028696
  H      -1.960936      4.542170      7.612648
  H      -0.290629      0.436414      5.970563
  H      -0.429856      2.085679      5.335649
  H      -1.824162      0.841278      7.770015
  H      -0.706134      2.238944      7.796308
  H      -5.280438      1.322241      8.754264
  H      -3.854385      0.381345      8.351183
  H      -4.275174      3.392598      8.108598
  H      -3.067903      2.577686      9.123295
  C      -4.899451      4.502168      4.064015
  C      -6.244904      4.883396      4.707671
  C      -7.088310      3.703783      5.154643
  O      -7.399738      2.895271      3.998964
  C      -8.689056      2.764318      3.618841
  N      -9.680444      3.151954      4.411812
  C     -10.942136      2.987336      3.935252
  N     -11.313463      2.509866      2.754444
  C     -10.291565      2.133663      1.917262
  C     -10.566442      1.676592      0.608094
  C      -9.499397      1.330341     -0.208235
  C      -8.184136      1.414287      0.284448
  N      -7.877614      1.839752      1.516238
  C      -8.919784      2.211235      2.314995
  C      -2.054361     -0.394064      4.282532
  C      -1.871084     -0.223922      2.766734
  C      -2.429178     -1.467675      2.094866
  O      -2.291074     -1.509673      0.655041
  C      -3.143749     -0.797804     -0.091807
  N      -3.900785      0.159714      0.446469
  C      -4.666777      0.880844     -0.404381
  N      -4.791572      0.736550     -1.712432
  C      -4.055210     -0.281410     -2.274339
  C      -4.139026     -0.556729     -3.659221
  C      -3.379630     -1.596886     -4.185297
  C      -2.549773     -2.334934     -3.328289
  N      -2.434589     -2.108828     -2.013935
  C      -3.180783     -1.096451     -1.495990
  C      -6.016387      0.150626      6.560368
  C      -5.574966     -1.291257      6.823846
  C      -6.483756     -2.324679      6.192180
  O      -6.237119     -2.382771      4.761088
  C      -7.196916     -1.985843      3.905799
  N      -8.330669     -1.460634      4.345477
  C      -9.256341     -1.129716      3.413141
  N      -9.170024     -1.271882      2.104399
  C      -7.989329     -1.783977      1.635753
  C      -7.775478     -1.944643      0.245333
  C      -6.569370     -2.468375     -0.191315
  C      -5.597486     -2.825424      0.755726
  N      -5.750623     -2.683599      2.073988
  C      -6.930206     -2.168721      2.505254
  H      -4.417294      5.429304      3.691471
  H      -5.087608      3.858363      3.192449
  H      -6.079378      5.529089      5.583478
  H      -6.820889      5.482031      3.984871
  H      -8.020854      4.024971      5.632578
  H      -6.536059      3.051213      5.842196
  H     -11.744479      3.293829      4.617932
  H     -11.605915      1.617694      0.276432
  H      -9.665068      0.987885     -1.228151
  H      -7.346540      1.127084     -0.355478
  H      -1.237652     -1.008638      4.701048
  H      -2.978409     -0.973857      4.442599
  H      -0.816692     -0.066760      2.500764
  H      -2.440246      0.654525      2.436310
  H      -3.488815     -1.593181      2.349576
  H      -1.891456     -2.365044      2.428319
  H      -5.243155      1.685014      0.066425
  H      -4.796465      0.051287     -4.277457
  H      -3.420246     -1.846452     -5.249798
  H      -1.946724     -3.154931     -3.732282
  H      -6.416001      0.239964      5.555690
  H      -6.825236      0.399658      7.251362
  H      -4.561528     -1.428569      6.418781
  H      -5.522236     -1.493640      7.905433
  H      -7.542696     -2.113813      6.374571
  H      -6.239750     -3.328558      6.562066
  H     -10.182467     -0.690028      3.804349
  H      -8.567856     -1.657197     -0.441541
  H      -6.359606     -2.601719     -1.255049
  H      -4.646536     -3.245000      0.419438
  N      -4.793423      1.280632      3.827198
  N      -5.469269      0.819592      2.830385
  H      -4.912563      0.367894      2.078251
  H      -6.327167      1.346517      2.497188
99
Coordinates from ORCA-job orca E -6533.132437188530
  N      -3.975152      3.816472      4.957308
  Mo     -3.849291      1.847523      5.226938
  N      -4.940490      1.114227      6.695167
  C      -4.451304      1.275309      8.062217
  C      -3.617382      2.544641      8.168070
  N      -2.670053      2.617926      7.026971
  C      -2.275133      4.007367      6.694163
  C      -3.418821      4.702065      5.979734
  C      -1.487810      1.734936      7.209227
  C      -0.994337      1.279269      5.838746
  N      -2.151895      0.854341      5.055483
  H      -3.038826      5.632049      5.514129
  H      -4.192189      5.017198      6.707731
  H      -1.414680      3.942314      6.016423
  H      -1.961395      4.555127      7.600155
  H      -0.286054      0.442602      5.973260
  H      -0.430688      2.089269      5.333183
  H      -1.819630      0.852450      7.775627
  H      -0.702327      2.249983      7.793085
  H      -5.299242      1.348554      8.766013
  H      -3.859418      0.396949      8.381340
  H      -4.282868      3.414054      8.098475
  H      -3.077100      2.601443      9.128477
  C      -4.907790      4.498919      4.059189
  C      -6.253521      4.886704      4.700438
  C      -7.108902      3.710651      5.147185
  O      -7.425716      2.897434      3.993441
  C      -8.702799      2.779763      3.595128
  N      -9.698572      3.179541      4.369209
  C     -10.946372      3.025766      3.874770
  N     -11.299629      2.546305      2.692395
  C     -10.272518      2.158381      1.873802
  C     -10.528347      1.695313      0.563681
  C      -9.456476      1.332403     -0.233574
  C      -8.155366      1.410833      0.277844
  N      -7.865987      1.843141      1.510384
  C      -8.914326      2.226245      2.292115
  C      -2.050870     -0.398141      4.302367
  C      -1.855600     -0.239007      2.788944
  C      -2.414204     -1.486224      2.109933
  O      -2.270592     -1.525954      0.669704
  C      -3.132289     -0.813294     -0.073920
  N      -3.893260      0.136229      0.473055
  C      -4.672131      0.858956     -0.367265
  N      -4.810705      0.722563     -1.672493
  C      -4.073314     -0.286407     -2.244371
  C      -4.172281     -0.549772     -3.626233
  C      -3.404717     -1.576538     -4.164535
  C      -2.555229     -2.314394     -3.321131
  N      -2.428801     -2.101224     -2.008941
  C      -3.180451     -1.100528     -1.478907
  C      -6.009439      0.124294      6.546623
  C      -5.525194     -1.318773      6.811515
  C      -6.421710     -2.382981      6.179922
  O      -6.198880     -2.413649      4.746009
  C      -7.181626     -2.018567      3.914368
  N      -8.309963     -1.511142      4.383911
  C      -9.256450     -1.171592      3.474652
  N      -9.195749     -1.290139      2.159974
  C      -8.022648     -1.783230      1.660267
  C      -7.836527     -1.912852      0.260449
  C      -6.636468     -2.416358     -0.209761
  C      -5.643252     -2.784200      0.715323
  N      -5.769549     -2.669191      2.042800
  C      -6.943249     -2.174225      2.505915
  H      -4.424254      5.421846      3.681075
  H      -5.096038      3.850613      3.193696
  H      -6.085525      5.532633      5.577117
  H      -6.824646      5.488724      3.973737
  H      -8.041754      4.040456      5.620388
  H      -6.562293      3.054415      5.840180
  H     -11.752750      3.344816      4.541958
  H     -11.557603      1.642517      0.217678
  H      -9.606405      0.981196     -1.253166
  H      -7.313998      1.113468     -0.347064
  H      -1.234545     -1.004213      4.728167
  H      -2.974796     -0.977851      4.465179
  H      -0.796617     -0.089388      2.533045
  H      -2.413383      0.644668      2.453319
  H      -3.478897     -1.613679      2.358872
  H      -1.876267     -2.386608      2.443792
  H      -5.243844      1.659514      0.111451
  H      -4.847085      0.057607     -4.231748
  H      -3.452520     -1.815419     -5.227936
  H      -1.945753     -3.124156     -3.734976
  H      -6.402407      0.190154      5.523671
  H      -6.852382      0.367130      7.231417
  H      -4.500174     -1.430974      6.405303
  H      -5.462945     -1.523119      7.893793
  H      -7.493802     -2.205029      6.378086
  H      -6.140896     -3.393234      6.536689
  H     -10.176409     -0.744306      3.890380
  H      -8.644583     -1.617797     -0.408336
  H      -6.447548     -2.527932     -1.282368
  H      -4.696613     -3.191841      0.352393
  N      -4.792147      1.269738      3.831515
  N      -5.472180      0.808544      2.838496
  H      -4.915839      0.336950      2.086197
  H      -6.333734      1.335782      2.517712
99
Coordinates from ORCA-job orca E -6533.130862967066
  N      -3.981199      3.802696      4.954498
  Mo     -3.850910      1.829470      5.226018
  N      -4.940359      1.103129      6.701438
  C      -4.458995      1.278544      8.076731
  C      -3.613164      2.544170      8.163431
  N      -2.660729      2.607938      7.016592
  C      -2.267672      3.997916      6.671647
  C      -3.415973      4.693394      5.958678
  C      -1.472975      1.732291      7.184664
  C      -0.996405      1.274811      5.809262
  N      -2.152401      0.835103      5.049118
  H      -3.042107      5.615739      5.481295
  H      -4.183843      5.020120      6.688057
  H      -1.403833      3.924169      5.987609
  H      -1.949436      4.553710      7.572155
  H      -0.281768      0.449624      5.924430
  H      -0.459422      2.087957      5.300292
  H      -1.784687      0.853148      7.755541
  H      -0.691552      2.259235      7.751405
  H      -5.325174      1.373582      8.780879
  H      -3.869106      0.388230      8.421705
  H      -4.278274      3.426360      8.080139
  H      -3.076057      2.605676      9.130701
  C      -4.923674      4.484902      4.072721
  C      -6.254930      4.870466      4.739378
  C      -7.095400      3.681047      5.173022
  O      -7.427029      2.887748      3.991976
  C      -8.713274      2.793450      3.599955
  N      -9.713676      3.171372      4.379814
  C     -10.962919      3.022105      3.882990
  N     -11.313798      2.568677      2.697306
  C     -10.284829      2.193150      1.878701
  C     -10.544151      1.713774      0.569783
  C      -9.473613      1.334425     -0.224425
  C      -8.168453      1.419382      0.288556
  N      -7.876304      1.868361      1.520992
  C      -8.925309      2.259236      2.296705
  C      -2.043419     -0.422006      4.297471
  C      -1.868754     -0.260580      2.767087
  C      -2.449253     -1.491303      2.089733
  O      -2.312750     -1.531687      0.647633
  C      -3.157797     -0.802050     -0.093547
  N      -3.911018      0.150779      0.452999
  C      -4.678344      0.886728     -0.386273
  N      -4.809507      0.764628     -1.688486
  C      -4.073377     -0.241732     -2.259574
  C      -4.161891     -0.488090     -3.637615
  C      -3.403885     -1.517404     -4.176549
  C      -2.573559     -2.275050     -3.335491
  N      -2.456006     -2.077727     -2.026163
  C      -3.198556     -1.074849     -1.497014
  C      -6.020172      0.136998      6.559970
  C      -5.579500     -1.304897      6.846033
  C      -6.480215     -2.331788      6.204192
  O      -6.213404     -2.396156      4.778780
  C      -7.158252     -1.984704      3.918469
  N      -8.285060     -1.438100      4.351100
  C      -9.205969     -1.096040      3.414700
  N      -9.125353     -1.248241      2.107116
  C      -7.950271     -1.791189      1.646824
  C      -7.744535     -1.973712      0.260441
  C      -6.546614     -2.536247     -0.163980
  C      -5.572689     -2.910504      0.789799
  N      -5.718585     -2.745189      2.101931
  C      -6.892257     -2.191056      2.521809
  H      -4.452328      5.405743      3.690871
  H      -5.121241      3.837848      3.212152
  H      -6.074141      5.504454      5.625905
  H      -6.835977      5.484190      4.031460
  H      -8.019587      4.003229      5.670129
  H      -6.534985      3.007648      5.847361
  H     -11.772860      3.319310      4.551627
  H     -11.578785      1.647048      0.223333
  H      -9.629704      0.955241     -1.244483
  H      -7.327564      1.104240     -0.335242
  H      -1.209748     -1.027009      4.712967
  H      -2.964093     -1.001711      4.478841
  H      -0.808495     -0.120400      2.491559
  H      -2.429449      0.625376      2.433896
  H      -3.512907     -1.604178      2.346285
  H      -1.925816     -2.397197      2.417655
  H      -5.256010      1.681984      0.094795
  H      -4.824061      0.133474     -4.242411
  H      -3.445806     -1.745505     -5.237686
  H      -1.972622     -3.087735     -3.750741
  H      -6.402491      0.206283      5.524106
  H      -6.864176      0.402021      7.237624
  H      -4.563230     -1.455748      6.464775
  H      -5.549974     -1.492830      7.930371
  H      -7.532076     -2.108906      6.374543
  H      -6.255291     -3.330017      6.572414
  H     -10.124698     -0.650721      3.802532
  H      -8.537623     -1.675887     -0.431116
  H      -6.345008     -2.693086     -1.219918
  H      -4.627150     -3.365896      0.464961
  N      -4.798369      1.263799      3.831504
  N      -5.482701      0.812052      2.833237
  H      -4.926611      0.343074      2.079291
  H      -6.328212      1.312230      2.508063
99
Coordinates from ORCA-job orca E -6533.132916910924
  N      -3.978745      3.810078      4.951369
  Mo     -3.852527      1.839721      5.221771
  N      -4.940395      1.105660      6.693356
  C      -4.450803      1.269282      8.060319
  C      -3.617954      2.539208      8.162691
  N      -2.669846      2.612449      7.019877
  C      -2.275343      4.002958      6.684135
  C      -3.420862      4.698079      5.966462
  C      -1.485592      1.730280      7.198715
  C      -0.994913      1.281236      5.823771
  N      -2.152891      0.851283      5.042833
  H      -3.043013      5.624144      5.495635
  H      -4.194092      5.018407      6.693157
  H      -1.410508      3.935855      6.005865
  H      -1.962365      4.552770      7.589842
  H      -0.283141      0.447741      5.952092
  H      -0.437577      2.096890      5.319643
  H      -1.815422      0.844064      7.763289
  H      -0.699729      2.246645      7.783918
  H      -5.301197      1.344802      8.765505
  H      -3.857555      0.389634      8.382084
  H      -4.285552      3.410292      8.090970
  H      -3.077953      2.597387      9.125033
  C      -4.915835      4.490226      4.059390
  C      -6.255818      4.873692      4.712316
  C      -7.095755      3.690536      5.154850
  O      -7.413377      2.887967      3.988998
  C      -8.700661      2.776684      3.601304
  N      -9.696734      3.162157      4.387645
  C     -10.951982      3.013414      3.900096
  N     -11.311545      2.556997      2.715441
  C     -10.285421      2.179437      1.887716
  C     -10.548922      1.727127      0.577817
  C      -9.479364      1.363250     -0.226537
  C      -8.171647      1.431530      0.278436
  N      -7.874966      1.856264      1.510592
  C      -8.921032      2.239037      2.296489
  C      -2.047431     -0.399991      4.293768
  C      -1.863845     -0.243226      2.777247
  C      -2.433546     -1.486255      2.104099
  O      -2.291524     -1.530126      0.663839
  C      -3.142533     -0.809568     -0.080079
  N      -3.905130      0.141307      0.465390
  C      -4.676777      0.869785     -0.376199
  N      -4.805471      0.739440     -1.681760
  C      -4.063363     -0.268773     -2.252782
  C      -4.152911     -0.527580     -3.635730
  C      -3.389222     -1.558767     -4.172799
  C      -2.551791     -2.305188     -3.326146
  N      -2.432689     -2.095617     -2.012788
  C      -3.181323     -1.091384     -1.485039
  C      -6.014435      0.132177      6.555295
  C      -5.555139     -1.310381      6.828441
  C      -6.453968     -2.355250      6.191914
  O      -6.209801     -2.401207      4.761966
  C      -7.173262     -1.998481      3.915674
  N      -8.301828     -1.472757      4.365749
  C      -9.234828     -1.135947      3.442471
  N      -9.162034     -1.274143      2.132318
  C      -7.986333     -1.790224      1.653903
  C      -7.787767     -1.950708      0.262317
  C      -6.586913     -2.483868     -0.182842
  C      -5.604393     -2.847451      0.756422
  N      -5.743055     -2.702693      2.074551
  C      -6.918553     -2.180342      2.514400
  H      -4.439990      5.412261      3.679488
  H      -5.106242      3.841730      3.196165
  H      -6.084706      5.515367      5.591540
  H      -6.834117      5.476474      3.995875
  H      -8.025403      4.010606      5.639905
  H      -6.540137      3.031950      5.836892
  H     -11.758139      3.318263      4.576437
  H     -11.583799      1.677380      0.237280
  H      -9.636182      1.015727     -1.246771
  H      -7.332381      1.128657     -0.352838
  H      -1.223939     -0.999041      4.714510
  H      -2.968338     -0.981285      4.466546
  H      -0.806293     -0.097319      2.511883
  H      -2.421962      0.638475      2.442931
  H      -3.499010     -1.606778      2.357332
  H      -1.901581     -2.388951      2.438061
  H      -5.261102      1.663768      0.104375
  H      -4.819768      0.085644     -4.244603
  H      -3.432300     -1.795970     -5.237260
  H      -1.946424     -3.119008     -3.739070
  H      -6.407115      0.204513      5.533738
  H      -6.846169      0.385692      7.240070
  H      -4.535160     -1.442381      6.432382
  H      -5.507177     -1.507554      7.911376
  H      -7.516820     -2.155371      6.377459
  H      -6.199342     -3.360288      6.553408
  H     -10.155739     -0.702578      3.843547
  H      -8.587618     -1.658012     -0.418293
  H      -6.389534     -2.621910     -1.245757
  H      -4.657152     -3.276533      0.413555
  N      -4.797754      1.268956      3.827253
  N      -5.479480      0.815360      2.829609
  H      -4.922120      0.351496      2.078316
  H      -6.334294      1.337046      2.499986
99
Coordinates from ORCA-job orca E -6533.131564941316
  N      -3.989213      3.813676      4.979054
  Mo     -3.847403      1.849603      5.227689
  N      -4.923129      1.101189      6.695843
  C      -4.419437      1.248902      8.054479
  C      -3.592433      2.522374      8.171441
  N      -2.661400      2.618492      7.027045
  C      -2.283393      4.012026      6.711862
  C      -3.434526      4.697520      6.013375
  C      -1.471543      1.752412      7.188956
  C      -0.990991      1.298345      5.816247
  N      -2.146719      0.861467      5.049881
  H      -3.063708      5.638340      5.556500
  H      -4.205428      4.997083      6.750170
  H      -1.430613      3.966314      6.031655
  H      -1.969170      4.552812      7.621726
  H      -0.273792      0.471879      5.937371
  H      -0.449158      2.111376      5.307914
  H      -1.779502      0.872006      7.754226
  H      -0.693495      2.278014      7.758706
  H      -5.254871      1.305612      8.763920
  H      -3.823371      0.374605      8.352381
  H      -4.260750      3.384535      8.121073
  H      -3.042487      2.571906      9.124135
  C      -4.917441      4.504970      4.076586
  C      -6.264898      4.891712      4.714465
  C      -7.126566      3.712995      5.152289
  O      -7.438258      2.904207      3.993984
  C      -8.709032      2.798854      3.583448
  N      -9.705678      3.215391      4.345024
  C     -10.949187      3.059709      3.841379
  N     -11.298717      2.555046      2.661073
  C     -10.270066      2.148661      1.854533
  C     -10.522054      1.649789      0.546261
  C      -9.447233      1.273308     -0.239957
  C      -8.146461      1.377154      0.278587
  N      -7.861292      1.839098      1.510363
  C      -8.913542      2.229491      2.282961
  C      -2.042857     -0.400126      4.301162
  C      -1.859882     -0.250819      2.778206
  C      -2.441460     -1.487703      2.110317
  O      -2.300076     -1.540900      0.670118
  C      -3.139677     -0.815428     -0.079705
  N      -3.887430      0.145408      0.460251
  C      -4.647092      0.878186     -0.389089
  N      -4.773210      0.743391     -1.697088
  C      -4.044996     -0.275450     -2.261518
  C      -4.127785     -0.536205     -3.646201
  C      -3.372227     -1.575022     -4.175681
  C      -2.549703     -2.327892     -3.320968
  N      -2.437690     -2.116525     -2.006748
  C      -3.177836     -1.103768     -1.485579
  C      -5.996420      0.120439      6.560304
  C      -5.525225     -1.324090      6.817468
  C      -6.430232     -2.375528      6.187674
  O      -6.208739     -2.407600      4.753464
  C      -7.194880     -2.011077      3.927448
  N      -8.322508     -1.511073      4.404689
  C      -9.274932     -1.171058      3.502225
  N      -9.220394     -1.280818      2.186193
  C      -8.047996     -1.767109      1.678606
  C      -7.868248     -1.891724      0.277675
  C      -6.669013     -2.394917     -0.198796
  C      -5.669982     -2.765147      0.720533
  N      -5.789759     -2.651580      2.047612
  C      -6.962778     -2.159348      2.517451
  H      -4.427203      5.435791      3.704334
  H      -5.106421      3.859339      3.200903
  H      -6.097393      5.532239      5.597562
  H      -6.831387      5.501288      3.986081
  H      -8.061927      4.041548      5.619734
  H      -6.584359      3.052512      5.848158
  H     -11.756344      3.392917      4.498501
  H     -11.550984      1.580810      0.193282
  H      -9.594740      0.894421     -1.257705
  H      -7.301783      1.072607     -0.338028
  H      -1.218929     -1.006917      4.726477
  H      -2.964532     -0.980053      4.474714
  H      -0.801008     -0.120729      2.511746
  H      -2.409159      0.637716      2.438365
  H      -3.504374     -1.593384      2.360599
  H      -1.922180     -2.392390      2.449671
  H      -5.212122      1.687036      0.082076
  H      -4.781054      0.082948     -4.260650
  H      -3.407917     -1.811999     -5.240365
  H      -1.950255     -3.147817     -3.727459
  H      -6.400129      0.195351      5.549603
  H      -6.821471      0.364843      7.253213
  H      -4.504670     -1.441690      6.407176
  H      -5.462486     -1.533910      7.897917
  H      -7.496728     -2.187263      6.386916
  H      -6.160218     -3.385294      6.544680
  H     -10.194952     -0.755958      3.926663
  H      -8.680629     -1.595392     -0.386517
  H      -6.485442     -2.505506     -1.271789
  H      -4.724412     -3.174539      0.353256
  N      -4.793434      1.276593      3.827502
  N      -5.464821      0.807398      2.830540
  H      -4.904946      0.336878      2.081081
  H      -6.319793      1.299567      2.510914
99
Coordinates from ORCA-job orca E -6533.133038053488
  N      -3.981081      3.809675      4.955110
  Mo     -3.851237      1.839779      5.221346
  N      -4.934828      1.104381      6.694034
  C      -4.443971      1.268666      8.060605
  C      -3.609702      2.538775      8.161173
  N      -2.666003      2.613878      7.016416
  C      -2.275846      4.004976      6.682487
  C      -3.422935      4.697374      5.971505
  C      -1.479922      1.735937      7.189961
  C      -0.993918      1.283306      5.816735
  N      -2.151409      0.851168      5.043391
  H      -3.048161      5.625793      5.502400
  H      -4.193484      5.013999      6.700768
  H      -1.415780      3.941741      6.002441
  H      -1.961399      4.554238      7.587181
  H      -0.280042      0.452467      5.941722
  H      -0.443666      2.097192      5.310143
  H      -1.801748      0.853113      7.756338
  H      -0.696543      2.255469      7.767330
  H      -5.294076      1.345297      8.766249
  H      -3.851138      0.388048      8.383167
  H      -4.276783      3.409747      8.092666
  H      -3.066890      2.596282      9.120719
  C      -4.916129      4.491519      4.060359
  C      -6.256840      4.879246      4.709345
  C      -7.103007      3.699458      5.154704
  O      -7.422308      2.891351      3.994926
  C      -8.705628      2.781732      3.600054
  N      -9.701509      3.180577      4.377588
  C     -10.953125      3.031110      3.884680
  N     -11.310029      2.559172      2.701327
  C     -10.283574      2.168604      1.881296
  C     -10.543157      1.701410      0.572265
  C      -9.471755      1.331274     -0.225362
  C      -8.166758      1.407473      0.284395
  N      -7.874106      1.843286      1.516235
  C      -8.921989      2.231621      2.297226
  C      -2.049842     -0.407256      4.295346
  C      -1.863248     -0.253998      2.776278
  C      -2.440716     -1.493292      2.105336
  O      -2.298975     -1.540237      0.665040
  C      -3.144974     -0.814958     -0.082002
  N      -3.902292      0.139238      0.461481
  C      -4.664481      0.873680     -0.383622
  N      -4.786128      0.747606     -1.690674
  C      -4.048787     -0.263272     -2.259317
  C      -4.127058     -0.514006     -3.643725
  C      -3.363274     -1.544913     -4.178712
  C      -2.537474     -2.299694     -3.328850
  N      -2.429439     -2.097953     -2.014276
  C      -3.177709     -1.093082     -1.488134
  C      -6.009040      0.128563      6.556069
  C      -5.547628     -1.313646      6.831664
  C      -6.448988     -2.361326      6.199735
  O      -6.212659     -2.405885      4.767700
  C      -7.184427     -2.009030      3.926779
  N      -8.313656     -1.492745      4.384338
  C      -9.252961     -1.155657      3.466773
  N      -9.184949     -1.282427      2.153811
  C      -8.009363     -1.786973      1.667157
  C      -7.816432     -1.931844      0.271137
  C      -6.616322     -2.452452     -0.183934
  C      -5.628289     -2.820287      0.750923
  N      -5.760984     -2.689949      2.073839
  C      -6.936135     -2.179432      2.522632
  H      -4.436477      5.412633      3.679172
  H      -5.107959      3.842315      3.198018
  H      -6.084967      5.522634      5.586812
  H      -6.832825      5.482322      3.989378
  H      -8.033493      4.024291      5.636061
  H      -6.549570      3.041590      5.840505
  H     -11.759359      3.346739      4.554545
  H     -11.575799      1.647814      0.227161
  H      -9.625332      0.974618     -1.244423
  H      -7.325850      1.102156     -0.341056
  H      -1.228773     -1.010926      4.720322
  H      -2.972169     -0.987633      4.466230
  H      -0.804460     -0.118321      2.510298
  H      -2.414473      0.634341      2.440102
  H      -3.505269     -1.604800      2.357341
  H      -1.915797     -2.398618      2.441065
  H      -5.238670      1.674258      0.093154
  H      -4.783828      0.106174     -4.254520
  H      -3.395770     -1.774539     -5.244114
  H      -1.931732     -3.113438     -3.739980
  H      -6.402114      0.197806      5.534153
  H      -6.842752      0.382744      7.240258
  H      -4.528171     -1.444594      6.433339
  H      -5.496901     -1.509654      7.915380
  H      -7.511589     -2.163757      6.389794
  H      -6.190695     -3.366898      6.561850
  H     -10.174555     -0.728926      3.874442
  H      -8.620097     -1.635929     -0.405737
  H      -6.423366     -2.577541     -1.251977
  H      -4.681295     -3.239161      0.399986
  N      -4.798802      1.266163      3.828869
  N      -5.478503      0.808527      2.833559
  H      -4.923568      0.338727      2.083311
  H      -6.336501      1.331331      2.506800
99
Coordinates from ORCA-job orca E -6533.132167452707
  N      -3.967323      3.827939      4.956242
  Mo     -3.845420      1.861413      5.214496
  N      -4.948053      1.122517      6.674322
  C      -4.468968      1.278863      8.046630
  C      -3.632137      2.544496      8.163216
  N      -2.673449      2.619369      7.029907
  C      -2.267268      4.007442      6.704146
  C      -3.406016      4.711084      5.981589
  C      -1.496396      1.731112      7.218864
  C      -0.994244      1.281894      5.844249
  N      -2.149295      0.862012      5.046894
  H      -3.017880      5.638666      5.515607
  H      -4.182661      5.032159      6.708310
  H      -1.398213      3.938024      6.030380
  H      -1.954490      4.550483      7.615579
  H      -0.293222      0.441256      5.981082
  H      -0.419451      2.093365      5.347108
  H      -1.839718      0.843992      7.779541
  H      -0.710694      2.242600      7.817045
  H      -5.325150      1.352937      8.743629
  H      -3.882017      0.398512      8.370217
  H      -4.296085      3.416387      8.087622
  H      -3.100402      2.598043      9.132549
  C      -4.906531      4.515686      4.069459
  C      -6.244142      4.894824      4.730828
  C      -7.082817      3.707259      5.179855
  O      -7.402963      2.894527      4.017013
  C      -8.686891      2.791301      3.625457
  N      -9.682921      3.199047      4.399182
  C     -10.934963      3.054232      3.907515
  N     -11.291414      2.579608      2.728972
  C     -10.265926      2.176290      1.914683
  C     -10.528698      1.696758      0.609953
  C      -9.460165      1.309368     -0.184419
  C      -8.154253      1.383678      0.324761
  N      -7.857701      1.830944      1.553185
  C      -8.903947      2.232836      2.330052
  C      -2.044577     -0.383677      4.299369
  C      -1.861387     -0.229258      2.785042
  C      -2.420250     -1.479298      2.112595
  O      -2.275275     -1.527848      0.671538
  C      -3.124087     -0.808968     -0.073832
  N      -3.885680      0.139246      0.472181
  C      -4.662284      0.865834     -0.366982
  N      -4.802166      0.733058     -1.670576
  C      -4.063533     -0.274965     -2.243233
  C      -4.167324     -0.538116     -3.625157
  C      -3.410431     -1.570681     -4.163694
  C      -2.564862     -2.314237     -3.319190
  N      -2.431837     -2.099986     -2.007121
  C      -3.173510     -1.094087     -1.478297
  C      -6.018154      0.140958      6.525756
  C      -5.551271     -1.300725      6.787802
  C      -6.442107     -2.340968      6.140200
  O      -6.196838     -2.368094      4.710892
  C      -7.174787     -1.980177      3.871043
  N      -8.312509     -1.480549      4.334045
  C      -9.266526     -1.179095      3.421810
  N      -9.206097     -1.335272      2.114020
  C      -8.022372     -1.824699      1.620522
  C      -7.836619     -2.014310      0.232265
  C      -6.626238     -2.526858     -0.225136
  C      -5.622967     -2.838877      0.696440
  N      -5.749048     -2.666535      2.010267
  C      -6.932546     -2.166732      2.464783
  H      -4.429155      5.444188      3.694210
  H      -5.100389      3.871600      3.197568
  H      -6.069131      5.538786      5.612291
  H      -6.825981      5.497275      4.012506
  H      -8.012013      4.029721      5.663583
  H      -6.525923      3.050011      5.869186
  H     -11.741046      3.381312      4.572341
  H     -11.562959      1.643830      0.265252
  H      -9.617618      0.938863     -1.201220
  H      -7.316202      1.064454     -0.298805
  H      -1.221025     -0.985351      4.717123
  H      -2.969105     -0.957249      4.476106
  H      -0.803795     -0.070789      2.527049
  H      -2.428975      0.640526      2.445764
  H      -3.485568     -1.605872      2.362805
  H      -1.884153     -2.377870      2.451573
  H      -5.245770      1.657913      0.115483
  H      -4.840979      0.072435     -4.232575
  H      -3.465650     -1.812384     -5.227625
  H      -1.965857     -3.130112     -3.733547
  H      -6.405630      0.215496      5.501876
  H      -6.857803      0.384485      7.209652
  H      -4.526811     -1.425079      6.394142
  H      -5.509691     -1.506616      7.867264
  H      -7.506852     -2.148477      6.329427
  H      -6.182395     -3.347522      6.488037
  H     -10.195750     -0.773634      3.835905
  H      -8.653045     -1.766620     -0.433364
  H      -6.438542     -2.689041     -1.283740
  H      -4.669238     -3.254321      0.344234
  N      -4.787392      1.296711      3.812957
  N      -5.471202      0.838475      2.817010
  H      -4.912201      0.356203      2.075547
  H      -6.313174      1.358999      2.474728
99
Coordinates from ORCA-job orca E -6533.133074349494
  N      -3.984389      3.812800      4.954618
  Mo     -3.851953      1.842630      5.220843
  N      -4.935274      1.105454      6.692898
  C      -4.442534      1.267678      8.057901
  C      -3.611703      2.539293      8.160879
  N      -2.667150      2.616060      7.016847
  C      -2.276336      4.007172      6.682416
  C      -3.423588      4.701147      5.968766
  C      -1.481244      1.737232      7.191405
  C      -0.994678      1.286815      5.817011
  N      -2.152303      0.854752      5.041469
  H      -3.047114      5.627480      5.496848
  H      -4.194486      5.021182      6.697469
  H      -1.414114      3.942763      6.002653
  H      -1.962358      4.556541      7.587637
  H      -0.280798      0.455879      5.942305
  H      -0.443348      2.101770      5.311333
  H      -1.805067      0.852680      7.756863
  H      -0.696764      2.255749      7.771445
  H      -5.289234      1.339247      8.764387
  H      -3.847889      0.389716      8.374983
  H      -4.280374      3.408613      8.092265
  H      -3.069603      2.597267      9.121106
  C      -4.921728      4.494103      4.062400
  C      -6.260622      4.882062      4.715205
  C      -7.104020      3.702017      5.164443
  O      -7.422182      2.891441      4.005694
  C      -8.704894      2.786320      3.608336
  N      -9.702701      3.186942      4.382697
  C     -10.953133      3.041794      3.886465
  N     -11.306620      2.573689      2.702906
  C     -10.278242      2.181384      1.886771
  C     -10.534200      1.717069      0.577983
  C      -9.461079      1.345008     -0.216075
  C      -8.157960      1.416708      0.297372
  N      -7.869059      1.848815      1.529121
  C      -8.918158      2.239111      2.306181
  C      -2.049136     -0.403530      4.297916
  C      -1.866462     -0.254950      2.776374
  C      -2.449165     -1.492669      2.108311
  O      -2.305456     -1.542722      0.668267
  C      -3.145703     -0.814751     -0.079469
  N      -3.905943      0.139000      0.463442
  C      -4.667314      0.874230     -0.381527
  N      -4.787431      0.747903     -1.688515
  C      -4.047289     -0.263147     -2.257001
  C      -4.126824     -0.516699     -3.641526
  C      -3.365287     -1.550654     -4.175911
  C      -2.540119     -2.305587     -3.325336
  N      -2.430417     -2.101008     -2.010686
  C      -3.176578     -1.093358     -1.485446
  C      -6.009173      0.129478      6.556210
  C      -5.546047     -1.313163      6.826541
  C      -6.443573     -2.360268      6.187610
  O      -6.204490     -2.398449      4.755982
  C      -7.178705     -2.005874      3.914806
  N      -8.311208     -1.495272      4.373574
  C      -9.254880     -1.168454      3.457227
  N      -9.189318     -1.303043      2.145783
  C      -8.010763     -1.803549      1.657523
  C      -7.820182     -1.961205      0.263591
  C      -6.615527     -2.476111     -0.192219
  C      -5.622333     -2.827943      0.739713
  N      -5.753471     -2.686747      2.060174
  C      -6.931894     -2.180535      2.510174
  H      -4.443066      5.414759      3.679600
  H      -5.115688      3.844354      3.200399
  H      -6.087053      5.526982      5.591415
  H      -6.838744      5.483259      3.995953
  H      -8.034306      4.026585      5.645937
  H      -6.549249      3.046650      5.851428
  H     -11.761146      3.359661      4.553247
  H     -11.565618      1.667133      0.229980
  H      -9.611938      0.990187     -1.235241
  H      -7.314988      1.111967     -0.325167
  H      -1.224764     -1.005052      4.722463
  H      -2.971017     -0.981918      4.474612
  H      -0.806185     -0.122972      2.508834
  H      -2.416665      0.631989      2.436342
  H      -3.514233     -1.600466      2.360757
  H      -1.928224     -2.398738      2.445712
  H      -5.249131      1.671324      0.096552
  H      -4.784255      0.102837     -4.253157
  H      -3.400899     -1.783630     -5.241292
  H      -1.936790     -3.122115     -3.736050
  H      -6.403757      0.200262      5.536004
  H      -6.840549      0.381881      7.242390
  H      -4.523831     -1.441231      6.430930
  H      -5.498513     -1.513106      7.908745
  H      -7.508392     -2.165878      6.376896
  H      -6.182570     -3.367174      6.544836
  H     -10.179228     -0.748520      3.866773
  H      -8.628934     -1.681171     -0.410369
  H      -6.423417     -2.610370     -1.257912
  H      -4.672457     -3.244634      0.388750
  N      -4.798762      1.269983      3.827400
  N      -5.480806      0.814371      2.831676
  H      -4.925982      0.343452      2.083290
  H      -6.335444      1.328384      2.504657
99
Coordinates from ORCA-job orca E -6533.131869705047
  N      -3.963529      3.816731      4.944920
  Mo     -3.847607      1.848878      5.212737
  N      -4.945174      1.119380      6.680006
  C      -4.464002      1.284837      8.051129
  C      -3.617934      2.547961      8.154596
  N      -2.667333      2.614478      7.015785
  C      -2.263656      4.001477      6.684530
  C      -3.402417      4.700628      5.971656
  C      -1.489987      1.728940      7.197077
  C      -0.997150      1.267897      5.828146
  N      -2.153196      0.847615      5.044853
  H      -3.017351      5.630594      5.507194
  H      -4.174412      5.018244      6.701227
  H      -1.404142      3.932439      6.007298
  H      -1.946389      4.547958      7.590564
  H      -0.294594      0.428406      5.962047
  H      -0.431476      2.072984      5.323757
  H      -1.821502      0.850821      7.762689
  H      -0.707364      2.244204      7.778152
  H      -5.321477      1.371672      8.748995
  H      -3.881599      0.399441      8.384154
  H      -4.277008      3.423676      8.080472
  H      -3.080151      2.603145      9.117051
  C      -4.897610      4.505457      4.050539
  C      -6.236961      4.895793      4.702231
  C      -7.082781      3.715746      5.155172
  O      -7.401529      2.898463      3.997984
  C      -8.685951      2.790528      3.605479
  N      -9.680071      3.201259      4.379466
  C     -10.935751      3.041277      3.891557
  N     -11.300038      2.544446      2.715506
  C     -10.275206      2.142760      1.898207
  C     -10.543558      1.643934      0.595415
  C      -9.473837      1.260635     -0.200155
  C      -8.163584      1.352875      0.305418
  N      -7.862782      1.814687      1.533313
  C      -8.908361      2.218747      2.311465
  C      -2.059378     -0.408288      4.295988
  C      -1.853384     -0.253866      2.789412
  C      -2.410958     -1.504589      2.107295
  O      -2.268177     -1.541046      0.666541
  C      -3.124046     -0.814163     -0.073328
  N      -3.876115      0.131910      0.481683
  C      -4.647106      0.871954     -0.350691
  N      -4.784368      0.757828     -1.655799
  C      -4.054704     -0.244928     -2.237592
  C      -4.153385     -0.482524     -3.621070
  C      -3.397228     -1.505515     -4.171129
  C      -2.558262     -2.265350     -3.336237
  N      -2.432187     -2.076253     -2.021865
  C      -3.173001     -1.078892     -1.481288
  C      -6.016559      0.139595      6.534307
  C      -5.561088     -1.301063      6.813405
  C      -6.464676     -2.345303      6.188117
  O      -6.229947     -2.390306      4.756492
  C      -7.203028     -2.010580      3.912151
  N      -8.337675     -1.503162      4.360046
  C      -9.276719     -1.180441      3.435515
  N      -9.205640     -1.312762      2.123161
  C      -8.023138     -1.807065      1.647915
  C      -7.828219     -1.954598      0.252408
  C      -6.622308     -2.459141     -0.193570
  C      -5.630240     -2.813645      0.752068
  N      -5.765404     -2.683305      2.075816
  C      -6.947512     -2.185832      2.513436
  H      -4.411691      5.430369      3.672460
  H      -5.093168      3.858177      3.181650
  H      -6.062661      5.544179      5.578312
  H      -6.813770      5.496410      3.978751
  H      -8.012835      4.041830      5.634539
  H      -6.529609      3.062005      5.847441
  H     -11.740873      3.364027      4.559227
  H     -11.581161      1.576206      0.253332
  H      -9.633803      0.878896     -1.215029
  H      -7.324258      1.039940     -0.319007
  H      -1.252529     -1.015075      4.726401
  H      -2.988838     -0.982747      4.455138
  H      -0.795706     -0.103648      2.541888
  H      -2.406195      0.627650      2.454114
  H      -3.480214     -1.633584      2.355094
  H      -1.872364     -2.408417      2.439437
  H      -5.214219      1.666679      0.135481
  H      -4.820407      0.140894     -4.219164
  H      -3.445587     -1.725413     -5.236590
  H      -1.958476     -3.073357     -3.759747
  H      -6.401073      0.212102      5.510333
  H      -6.854409      0.388541      7.214404
  H      -4.546245     -1.437637      6.413821
  H      -5.510175     -1.492121      7.898942
  H      -7.522537     -2.147126      6.383139
  H      -6.208808     -3.348823      6.549276
  H     -10.201451     -0.754691      3.833504
  H      -8.636288     -1.671725     -0.432965
  H      -6.426866     -2.580826     -1.262755
  H      -4.676831     -3.215497      0.408623
  N      -4.794094      1.278253      3.817660
  N      -5.474515      0.817823      2.823886
  H      -4.915211      0.318685      2.085349
  H      -6.329396      1.366694      2.475051
99
Coordinates from ORCA-job orca E -6533.133128192677
  N      -3.980690      3.814170      4.953737
  Mo     -3.849078      1.845198      5.216328
  N      -4.934851      1.106848      6.685901
  C      -4.448125      1.271830      8.054191
  C      -3.614243      2.541801      8.157102
  N      -2.667494      2.617063      7.015026
  C      -2.275445      4.007452      6.681915
  C      -3.421244      4.701214      5.970074
  C      -1.482775      1.737564      7.192250
  C      -0.992504      1.286525      5.819015
  N      -2.148971      0.856820      5.040338
  H      -3.045030      5.628414      5.500643
  H      -4.191463      5.019370      6.698784
  H      -1.415015      3.943153      6.002627
  H      -1.961034      4.556110      7.587047
  H      -0.280421      0.454158      5.946474
  H      -0.437541      2.100286      5.314517
  H      -1.808923      0.853722      7.757051
  H      -0.699419      2.255301      7.774366
  H      -5.300827      1.349017      8.757032
  H      -3.856337      0.391459      8.379330
  H      -4.281229      3.412265      8.086819
  H      -3.073821      2.599365      9.118249
  C      -4.918145      4.497076      4.062678
  C      -6.256764      4.883491      4.716402
  C      -7.099126      3.702558      5.166924
  O      -7.417982      2.889693      4.010015
  C      -8.700119      2.783873      3.612088
  N      -9.696960      3.189786      4.384731
  C     -10.947353      3.041691      3.889222
  N     -11.302545      2.564546      2.707919
  C     -10.275347      2.166273      1.892978
  C     -10.533017      1.693582      0.585986
  C      -9.461408      1.313117     -0.207477
  C      -8.157958      1.386750      0.304530
  N      -7.866845      1.829787      1.535286
  C      -8.914950      2.226776      2.312404
  C      -2.049486     -0.402080      4.296510
  C      -1.861415     -0.253424      2.778434
  C      -2.440513     -1.493855      2.110964
  O      -2.299968     -1.543200      0.670773
  C      -3.139742     -0.813231     -0.076552
  N      -3.892923      0.143083      0.466539
  C      -4.650589      0.881416     -0.378668
  N      -4.772341      0.756210     -1.686065
  C      -4.039703     -0.257686     -2.254612
  C      -4.120718     -0.509498     -3.639961
  C      -3.364369     -1.545133     -4.174499
  C      -2.542262     -2.303359     -3.323625
  N      -2.431628     -2.100562     -2.008466
  C      -3.173154     -1.091180     -1.482863
  C      -6.007963      0.129276      6.544667
  C      -5.546198     -1.312706      6.816596
  C      -6.447211     -2.358233      6.182613
  O      -6.213963     -2.394905      4.750546
  C      -7.190543     -2.003824      3.912721
  N      -8.321450     -1.491514      4.373209
  C      -9.265854     -1.163401      3.458267
  N      -9.202223     -1.297389      2.146953
  C      -8.024931     -1.798089      1.657314
  C      -7.836162     -1.951737      0.262817
  C      -6.633429     -2.467744     -0.194736
  C      -5.639108     -2.820206      0.735300
  N      -5.768014     -2.681625      2.056205
  C      -6.945547     -2.177420      2.508294
  H      -4.440019      5.418566      3.681004
  H      -5.112039      3.848592      3.199378
  H      -6.083108      5.529176      5.592383
  H      -6.836073      5.484161      3.996668
  H      -8.029292      4.027047      5.648917
  H      -6.543080      3.047598      5.854244
  H     -11.754572      3.363661      4.554355
  H     -11.564449      1.643003      0.238515
  H      -9.614389      0.950969     -1.225109
  H      -7.316452      1.074393     -0.317467
  H      -1.231120     -1.005580      4.724094
  H      -2.973644     -0.978894      4.467885
  H      -0.801866     -0.118695      2.513365
  H      -2.412669      0.633988      2.439421
  H      -3.505360     -1.603950      2.364068
  H      -1.916312     -2.399419      2.447780
  H      -5.223614      1.682716      0.098254
  H      -4.774501      0.113016     -4.252021
  H      -3.400940     -1.776445     -5.240431
  H      -1.942436     -3.121072     -3.734528
  H      -6.398798      0.200053      5.521823
  H      -6.843328      0.380772      7.228465
  H      -4.526159     -1.442053      6.418298
  H      -5.496358     -1.511529      7.899442
  H      -7.510002     -2.164001      6.376523
  H      -6.186121     -3.364823      6.539181
  H     -10.188617     -0.736735      3.867528
  H      -8.645416     -1.667760     -0.410522
  H      -6.443423     -2.599476     -1.261190
  H      -4.690044     -3.234235      0.382417
  N      -4.794939      1.272092      3.823644
  N      -5.474347      0.813287      2.828879
  H      -4.918819      0.337360      2.083297
  H      -6.329477      1.334485      2.496082
99
Coordinates from ORCA-job orca E -6533.133020703170
  N      -3.987713      3.810087      4.955628
  Mo     -3.849703      1.840347      5.218904
  N      -4.926335      1.096435      6.692647
  C      -4.428965      1.256072      8.055502
  C      -3.603548      2.530521      8.161032
  N      -2.662516      2.615162      7.015104
  C      -2.278093      4.009167      6.687154
  C      -3.429598      4.698861      5.975140
  C      -1.472714      1.740703      7.184143
  C      -0.988190      1.298400      5.805717
  N      -2.146407      0.861016      5.031272
  H      -3.056133      5.630478      5.506174
  H      -4.203309      5.011743      6.706732
  H      -1.414027      3.952890      6.007970
  H      -1.967216      4.555891      7.595892
  H      -0.268631      0.471706      5.925859
  H      -0.443222      2.119608      5.301025
  H      -1.792960      0.851513      7.746682
  H      -0.688320      2.260583      7.766212
  H      -5.272324      1.320498      8.764504
  H      -3.829910      0.380932      8.366177
  H      -4.275757      3.396910      8.096521
  H      -3.058940      2.587797      9.120386
  C      -4.923353      4.492227      4.060618
  C      -6.264088      4.877857      4.712277
  C      -7.109479      3.693050      5.152410
  O      -7.424096      2.887889      3.986198
  C      -8.706364      2.788801      3.584426
  N      -9.707800      3.186769      4.355904
  C     -10.957923      3.041095      3.855591
  N     -11.308013      2.574349      2.671338
  C     -10.276094      2.183880      1.858890
  C     -10.529728      1.712475      0.550869
  C      -9.454037      1.336608     -0.237878
  C      -8.151037      1.412694      0.279348
  N      -7.864032      1.852483      1.510746
  C      -8.915774      2.244715      2.282199
  C      -2.042210     -0.401248      4.295295
  C      -1.860263     -0.262262      2.773453
  C      -2.454805     -1.498963      2.108900
  O      -2.312633     -1.554471      0.668734
  C      -3.150911     -0.820828     -0.079396
  N      -3.912075      0.132338      0.465886
  C      -4.670775      0.874079     -0.376033
  N      -4.786002      0.756130     -1.683213
  C      -4.044089     -0.252776     -2.254802
  C      -4.114604     -0.493918     -3.639191
  C      -3.347518     -1.523703     -4.177614
  C      -2.528638     -2.287980     -3.330379
  N      -2.427895     -2.095569     -2.015164
  C      -3.177390     -1.090841     -1.486277
  C      -6.001338      0.123481      6.561154
  C      -5.540285     -1.319695      6.836004
  C      -6.442728     -2.366255      6.204551
  O      -6.211881     -2.404574      4.771808
  C      -7.188312     -2.007671      3.937354
  N      -8.316208     -1.493767      4.402357
  C      -9.262661     -1.160380      3.491078
  N      -9.204373     -1.291591      2.178786
  C      -8.029784     -1.795453      1.685051
  C      -7.847062     -1.948730      0.289787
  C      -6.646578     -2.469014     -0.171448
  C      -5.648767     -2.827854      0.756210
  N      -5.772736     -2.690588      2.077699
  C      -6.948066     -2.180555      2.532794
  H      -4.441737      5.416457      3.681045
  H      -5.115674      3.842907      3.193918
  H      -6.091664      5.518829      5.594062
  H      -6.839706      5.483916      3.993337
  H      -8.040749      4.014209      5.633245
  H      -6.556533      3.032711      5.838807
  H     -11.769161      3.355755      4.520008
  H     -11.562239      1.656865      0.200056
  H      -9.602381      0.973006     -1.256119
  H      -7.307119      1.101671     -0.339550
  H      -1.215636     -0.997528      4.722814
  H      -2.962633     -0.980283      4.477226
  H      -0.799557     -0.142270      2.505317
  H      -2.398731      0.627654      2.431253
  H      -3.522326     -1.599465      2.362894
  H      -1.939426     -2.409005      2.448205
  H      -5.253664      1.668699      0.105795
  H      -4.768582      0.132287     -4.247292
  H      -3.373707     -1.745993     -5.243276
  H      -1.921744     -3.101639     -3.744358
  H      -6.398743      0.194047      5.542434
  H      -6.828468      0.379362      7.248880
  H      -4.521145     -1.451713      6.436917
  H      -5.487970     -1.516082      7.919749
  H      -7.504646     -2.170040      6.400188
  H      -6.181932     -3.372946      6.561512
  H     -10.182847     -0.739483      3.905314
  H      -8.658542     -1.661732     -0.380785
  H      -6.461055     -2.601673     -1.237884
  H      -4.701005     -3.246999      0.400819
  N      -4.797166      1.266760      3.825160
  N      -5.475598      0.810789      2.826462
  H      -4.914836      0.335381      2.081715
  H      -6.334330      1.322347      2.495249
99
Coordinates from ORCA-job orca E -6533.133169114992
  N      -3.982561      3.815445      4.951225
  Mo     -3.850462      1.845503      5.215645
  N      -4.934672      1.107374      6.686781
  C      -4.444514      1.270051      8.053092
  C      -3.611307      2.540811      8.156434
  N      -2.666216      2.617849      7.013125
  C      -2.274358      4.008980      6.681168
  C      -3.421054      4.703514      5.967443
  C      -1.480870      1.739501      7.186906
  C      -0.993808      1.288972      5.812582
  N      -2.150507      0.857353      5.036947
  H      -3.043100      5.631101      5.496349
  H      -4.192609      5.022700      6.696916
  H      -1.411491      3.945514      6.002248
  H      -1.960818      4.556959      7.587753
  H      -0.280301      0.458170      5.937274
  H      -0.443054      2.103432      5.307407
  H      -1.803909      0.855365      7.751245
  H      -0.697753      2.258122      7.767030
  H      -5.293816      1.344013      8.757562
  H      -3.852019      0.390801      8.373526
  H      -4.279014      3.410792      8.087490
  H      -3.069672      2.598085      9.117127
  C      -4.920719      4.496593      4.059300
  C      -6.258400      4.886014      4.713798
  C      -7.098591      3.706634      5.169952
  O      -7.416722      2.888914      4.016664
  C      -8.699632      2.786360      3.616970
  N      -9.696728      3.199160      4.386863
  C     -10.947171      3.055836      3.889347
  N     -11.301551      2.577982      2.708142
  C     -10.273484      2.174361      1.896074
  C     -10.529789      1.700263      0.589432
  C      -9.456268      1.318789     -0.200533
  C      -8.153269      1.389997      0.314788
  N      -7.864223      1.830238      1.544847
  C      -8.913224      2.230149      2.318038
  C      -2.050174     -0.404396      4.299221
  C      -1.864537     -0.262530      2.778619
  C      -2.452431     -1.499765      2.112066
  O      -2.307513     -1.553113      0.672049
  C      -3.141736     -0.818712     -0.077081
  N      -3.899198      0.135594      0.466669
  C      -4.655339      0.877498     -0.378039
  N      -4.772574      0.757615     -1.685836
  C      -4.035772     -0.253645     -2.255977
  C      -4.112016     -0.499062     -3.642118
  C      -3.353150     -1.532762     -4.178458
  C      -2.533961     -2.295688     -3.327785
  N      -2.427571     -2.098888     -2.011699
  C      -3.170671     -1.091037     -1.484620
  C      -6.009814      0.133680      6.548222
  C      -5.550696     -1.308402      6.823442
  C      -6.448794     -2.353344      6.184429
  O      -6.210278     -2.391528      4.752108
  C      -7.188807     -2.007403      3.911741
  N      -8.323939     -1.505936      4.371974
  C      -9.271838     -1.187898      3.456881
  N      -9.208404     -1.323882      2.144837
  C      -8.027293     -1.813845      1.654892
  C      -7.839364     -1.970686      0.259794
  C      -6.632183     -2.475466     -0.197988
  C      -5.633603     -2.817666      0.733247
  N      -5.762179     -2.677002      2.055128
  C      -6.943619     -2.181073      2.506846
  H      -4.441131      5.416938      3.674832
  H      -5.116233      3.845742      3.197888
  H      -6.083574      5.534672      5.587032
  H      -6.838699      5.483382      3.993441
  H      -8.028648      4.031522      5.651539
  H      -6.541385      3.056158      5.858860
  H     -11.754827      3.383813      4.552583
  H     -11.561571      1.650967      0.239688
  H      -9.607101      0.956997     -1.217933
  H      -7.310402      1.077266     -0.303844
  H      -1.228068     -1.005887      4.727046
  H      -2.973873     -0.979813      4.477662
  H      -0.804364     -0.137206      2.513428
  H      -2.407969      0.625980      2.436309
  H      -3.518632     -1.602213      2.362802
  H      -1.936068     -2.408017      2.451864
  H      -5.233528      1.675252      0.100687
  H      -4.765131      0.126463     -4.253383
  H      -3.385379     -1.759286     -5.245325
  H      -1.933344     -3.112458     -3.739976
  H      -6.400650      0.203663      5.525721
  H      -6.843552      0.388583      7.231607
  H      -4.528999     -1.440397      6.430265
  H      -5.506397     -1.505218      7.906425
  H      -7.512014     -2.157445      6.374313
  H      -6.189467     -3.359558      6.541061
  H     -10.197698     -0.775521      3.867298
  H      -8.652140     -1.698997     -0.413235
  H      -6.442188     -2.609481     -1.264769
  H      -4.681288     -3.225855      0.380576
  N      -4.798257      1.271653      3.822834
  N      -5.480143      0.814500      2.828540
  H      -4.925791      0.334451      2.085246
  H      -6.334569      1.333354      2.495210
99
Coordinates from ORCA-job orca E -6533.132893929410
  N      -3.993818      3.809399      4.963025
  Mo     -3.847665      1.841782      5.215002
  N      -4.916270      1.090124      6.688154
  C      -4.426585      1.260219      8.056223
  C      -3.603225      2.536561      8.155618
  N      -2.661916      2.619431      7.008685
  C      -2.283073      4.013943      6.677198
  C      -3.436981      4.698613      5.975658
  C      -1.470030      1.746184      7.178605
  C      -0.982787      1.307488      5.799495
  N      -2.140141      0.867710      5.023886
  H      -3.073829      5.628495      5.506353
  H      -4.202435      5.009384      6.708482
  H      -1.427226      3.959827      5.994789
  H      -1.970080      4.563012      7.581540
  H      -0.259024      0.483166      5.918199
  H      -0.439617      2.132319      5.295529
  H      -1.789493      0.856380      7.741057
  H      -0.686743      2.266220      7.761049
  H      -5.279544      1.332369      8.762562
  H      -3.825530      0.383495      8.381345
  H      -4.277402      3.402284      8.088683
  H      -3.059002      2.597490      9.114464
  C      -4.932208      4.490848      4.071938
  C      -6.271192      4.874534      4.725282
  C      -7.115444      3.689045      5.163994
  O      -7.431726      2.884845      3.999120
  C      -8.709232      2.789186      3.590152
  N      -9.708918      3.195769      4.356584
  C     -10.955459      3.048381      3.852649
  N     -11.305424      2.568578      2.669040
  C     -10.275078      2.168575      1.860074
  C     -10.526009      1.688991      0.552473
  C      -9.450593      1.305664     -0.234368
  C      -8.149656      1.384559      0.283917
  N      -7.865873      1.833435      1.515985
  C      -8.917665      2.231924      2.288005
  C      -2.040749     -0.399783      4.291255
  C      -1.852734     -0.265243      2.773120
  C      -2.453779     -1.501727      2.116326
  O      -2.317776     -1.562544      0.675612
  C      -3.146006     -0.823012     -0.076836
  N      -3.891660      0.138852      0.463819
  C      -4.632632      0.887745     -0.386432
  N      -4.738593      0.771958     -1.696829
  C      -4.009363     -0.244783     -2.262748
  C      -4.069049     -0.482677     -3.651411
  C      -3.314820     -1.519804     -4.184262
  C      -2.516652     -2.294129     -3.327926
  N      -2.425846     -2.104686     -2.009543
  C      -3.164977     -1.092865     -1.485390
  C      -5.991313      0.110973      6.551402
  C      -5.528140     -1.331809      6.821080
  C      -6.435960     -2.376767      6.195592
  O      -6.218396     -2.403339      4.763022
  C      -7.200431     -1.998082      3.940718
  N      -8.320131     -1.472818      4.416846
  C      -9.272120     -1.129348      3.514624
  N      -9.226814     -1.262015      2.203638
  C      -8.061227     -1.778821      1.698733
  C      -7.894053     -1.940944      0.304614
  C      -6.703227     -2.471439     -0.167974
  C      -5.697567     -2.827166      0.745322
  N      -5.806601     -2.684351      2.065361
  C      -6.974003     -2.169686      2.533414
  H      -4.457016      5.412016      3.688927
  H      -5.125112      3.841556      3.210446
  H      -6.098402      5.514219      5.606911
  H      -6.849017      5.481735      4.007796
  H      -8.046718      4.009625      5.646984
  H      -6.559886      3.026790      5.847485
  H     -11.764963      3.368924      4.513055
  H     -11.555072      1.636306      0.199526
  H      -9.598579      0.938660     -1.251841
  H      -7.303617      1.073297     -0.331911
  H      -1.224415     -0.993561      4.726975
  H      -2.962137     -0.980650      4.465099
  H      -0.791353     -0.151089      2.501458
  H      -2.389438      0.634096      2.431745
  H      -3.519779     -1.594993      2.372114
  H      -1.941193     -2.413300      2.457685
  H      -5.201789      1.693199      0.087276
  H      -4.704542      0.152550     -4.266534
  H      -3.332676     -1.739143     -5.253256
  H      -1.919086     -3.113555     -3.737134
  H      -6.387912      0.180642      5.531510
  H      -6.824190      0.363109      7.239140
  H      -4.510228     -1.459561      6.415475
  H      -5.470874     -1.532843      7.903550
  H      -7.497760     -2.186656      6.401847
  H      -6.169343     -3.385159      6.545938
  H     -10.185187     -0.686441      3.935472
  H      -8.711095     -1.652835     -0.355851
  H      -6.531055     -2.611698     -1.234154
  H      -4.756569     -3.248303      0.379337
  N      -4.794463      1.264800      3.825940
  N      -5.465956      0.803464      2.828419
  H      -4.908422      0.331716      2.081647
  H      -6.328832      1.317516      2.499145
99
Coordinates from ORCA-job orca E -6533.133234121276
  N      -3.983241      3.814410      4.949265
  Mo     -3.847855      1.845320      5.209634
  N      -4.929157      1.104354      6.681074
  C      -4.440472      1.269996      8.047998
  C      -3.609502      2.541709      8.150306
  N      -2.664400      2.618665      7.007008
  C      -2.274216      4.010043      6.674742
  C      -3.422030      4.702881      5.963648
  C      -1.478497      1.740004      7.181589
  C      -0.989612      1.291575      5.806692
  N      -2.146241      0.859456      5.029573
  H      -3.046997      5.629972      5.492217
  H      -4.191951      5.021546      6.693493
  H      -1.412992      3.947535      5.995095
  H      -1.960459      4.558416      7.580597
  H      -0.274690      0.461097      5.931320
  H      -0.438342      2.107859      5.302285
  H      -1.802932      0.854636      7.745233
  H      -0.695119      2.257855      7.763666
  H      -5.291279      1.344599      8.751813
  H      -3.846765      0.391431      8.370916
  H      -4.278332      3.410760      8.080739
  H      -3.068012      2.600474      9.110845
  C      -4.923066      4.495347      4.059200
  C      -6.260604      4.882014      4.715403
  C      -7.100254      3.700394      5.170576
  O      -7.418039      2.882101      4.017187
  C      -8.699525      2.781666      3.613932
  N      -9.698444      3.194785      4.380407
  C     -10.947453      3.049816      3.880056
  N     -11.299297      2.570171      2.699405
  C     -10.270007      2.164623      1.890987
  C     -10.524019      1.686502      0.585393
  C      -9.450046      1.298491     -0.201395
  C      -8.148291      1.370234      0.315745
  N      -7.860936      1.817415      1.545667
  C      -8.910986      2.221354      2.316267
  C      -2.048208     -0.404496      4.294156
  C      -1.862470     -0.265841      2.773843
  C      -2.454269     -1.502738      2.110451
  O      -2.309423     -1.558752      0.670416
  C      -3.138041     -0.820490     -0.080363
  N      -3.896746      0.133701      0.461808
  C      -4.643791      0.880360     -0.385827
  N      -4.749677      0.766170     -1.695114
  C      -4.009750     -0.244085     -2.263176
  C      -4.070559     -0.481424     -3.651159
  C      -3.305928     -1.512492     -4.185592
  C      -2.496789     -2.281525     -3.331274
  N      -2.405570     -2.092703     -2.013671
  C      -3.154259     -1.086948     -1.488456
  C      -6.003763      0.129187      6.543958
  C      -5.543623     -1.312532      6.821200
  C      -6.447345     -2.358873      6.192374
  O      -6.223350     -2.392301      4.758677
  C      -7.208456     -2.004765      3.929172
  N      -8.338085     -1.498636      4.399607
  C      -9.292419     -1.175100      3.493027
  N      -9.240520     -1.309773      2.181223
  C      -8.064653     -1.804258      1.681432
  C      -7.888780     -1.959859      0.285612
  C      -6.686609     -2.467327     -0.182535
  C      -5.680057     -2.810307      0.738569
  N      -5.797121     -2.671256      2.060680
  C      -6.974448     -2.175553      2.522881
  H      -4.445437      5.416310      3.674552
  H      -5.118547      3.844964      3.197444
  H      -6.085821      5.530107      5.589764
  H      -6.841922      5.480203      3.995317
  H      -8.030448      4.024328      5.652576
  H      -6.542218      3.049070      5.859526
  H     -11.756413      3.378038      4.539935
  H     -11.554604      1.637594      0.233618
  H      -9.600214      0.931669     -1.217917
  H      -7.304485      1.053154     -0.300262
  H      -1.228150     -1.005569      4.724344
  H      -2.972502     -0.979153      4.471970
  H      -0.801821     -0.143644      2.506513
  H      -2.404394      0.625106      2.431263
  H      -3.520691     -1.601388      2.361459
  H      -1.940103     -2.412089      2.451175
  H      -5.222800      1.678809      0.090892
  H      -4.715692      0.148978     -4.265207
  H      -3.324823     -1.731800     -5.253884
  H      -1.891251     -3.096334     -3.741880
  H      -6.395580      0.197716      5.521854
  H      -6.837159      0.384372      7.227491
  H      -4.524504     -1.444422      6.422096
  H      -5.492250     -1.507849      7.904970
  H      -7.509027     -2.166125      6.392814
  H      -6.183057     -3.365771      6.546833
  H     -10.213638     -0.754233      3.910656
  H      -8.707266     -1.684193     -0.380329
  H      -6.506460     -2.600491     -1.250465
  H      -4.730936     -3.216696      0.377027
  N      -4.794738      1.270203      3.817990
  N      -5.474000      0.810836      2.823576
  H      -4.919188      0.327914      2.081507
  H      -6.329278      1.329846      2.488103
99
Coordinates from ORCA-job orca E -6533.133183559086
  N      -3.996166      3.813187      4.960505
  Mo     -3.851334      1.843337      5.218711
  N      -4.919925      1.093503      6.693698
  C      -4.422037      1.254507      8.057015
  C      -3.597286      2.531016      8.159811
  N      -2.660249      2.619595      7.011070
  C      -2.281500      4.015427      6.684176
  C      -3.436512      4.702556      5.977515
  C      -1.467359      1.749480      7.173568
  C      -0.987254      1.312269      5.792941
  N      -2.145083      0.869838      5.023726
  H      -3.067925      5.635130      5.507577
  H      -4.206738      5.013081      6.711606
  H      -1.420167      3.963898      6.003329
  H      -1.970606      4.561712      7.592428
  H      -0.261694      0.490870      5.906645
  H      -0.452104      2.137417      5.287819
  H      -1.780743      0.858871      7.734610
  H      -0.684185      2.271063      7.752574
  H      -5.266572      1.318951      8.766874
  H      -3.821226      0.378957      8.369405
  H      -4.271128      3.396450      8.098173
  H      -3.049695      2.588244      9.116879
  C      -4.933901      4.493870      4.066808
  C      -6.272209      4.881844      4.720582
  C      -7.113030      3.699090      5.167272
  O      -7.428433      2.888842      4.007234
  C      -8.709803      2.795610      3.599628
  N      -9.709994      3.207500      4.366259
  C     -10.958285      3.068968      3.861757
  N     -11.307785      2.595570      2.677403
  C     -10.276430      2.192289      1.869109
  C     -10.526888      1.717831      0.561334
  C      -9.450179      1.332795     -0.223154
  C      -8.149490      1.403493      0.298186
  N      -7.866092      1.845638      1.529124
  C      -8.918166      2.245997      2.297493
  C      -2.042432     -0.399969      4.300257
  C      -1.860011     -0.275182      2.778156
  C      -2.472985     -1.508325      2.124063
  O      -2.331912     -1.574962      0.684214
  C      -3.154071     -0.830016     -0.069471
  N      -3.901256      0.131060      0.473233
  C      -4.646143      0.883022     -0.372442
  N      -4.758839      0.769373     -1.681391
  C      -4.031399     -0.247035     -2.251837
  C      -4.102912     -0.484333     -3.639864
  C      -3.354216     -1.523046     -4.177310
  C      -2.551121     -2.299789     -3.325174
  N      -2.449147     -2.110980     -2.006917
  C      -3.181248     -1.097374     -1.478871
  C      -5.999230      0.123172      6.559594
  C      -5.543481     -1.320214      6.832215
  C      -6.442297     -2.362237      6.189473
  O      -6.203572     -2.397714      4.757279
  C      -7.180530     -2.006165      3.918368
  N      -8.311673     -1.497221      4.380912
  C      -9.259337     -1.172975      3.467591
  N      -9.200327     -1.311661      2.155746
  C      -8.023742     -1.811532      1.663402
  C      -7.842397     -1.977402      0.268878
  C      -6.639447     -2.493241     -0.190068
  C      -5.638197     -2.834636      0.738014
  N      -5.761613     -2.686916      2.058904
  C      -6.939533     -2.182644      2.512791
  H      -4.454079      5.415184      3.682186
  H      -5.129005      3.842003      3.204827
  H      -6.098223      5.525408      5.598035
  H      -6.850980      5.484135      4.002627
  H      -8.043911      4.020249      5.650007
  H      -6.555855      3.043307      5.852449
  H     -11.769021      3.394552      4.522725
  H     -11.557003      1.669419      0.206887
  H      -9.596068      0.968945     -1.240874
  H      -7.303412      1.088651     -0.315703
  H      -1.217373     -0.990757      4.734093
  H      -2.962047     -0.978867      4.487311
  H      -0.798162     -0.173707      2.507797
  H      -2.385660      0.622295      2.430263
  H      -3.541080     -1.592177      2.377659
  H      -1.970148     -2.423184      2.470530
  H      -5.218794      1.683433      0.106512
  H      -4.744267      0.151655     -4.251017
  H      -3.381758     -1.742813     -5.246071
  H      -1.959262     -3.121098     -3.738004
  H      -6.393650      0.194048      5.538639
  H      -6.829913      0.380980      7.246261
  H      -4.520918     -1.453877      6.440342
  H      -5.501724     -1.518638      7.914313
  H      -7.505862     -2.165970      6.380303
  H      -6.183204     -3.369236      6.542376
  H     -10.181171     -0.753261      3.879679
  H      -8.656797     -1.705110     -0.401677
  H      -6.454616     -2.636037     -1.255843
  H      -4.688247     -3.248703      0.383845
  N      -4.802297      1.266647      3.829541
  N      -5.479023      0.808403      2.832984
  H      -4.921953      0.332207      2.089265
  H      -6.341461      1.318512      2.504112
99
Coordinates from ORCA-job orca E -6533.133288141586
  N      -3.988723      3.816018      4.951867
  Mo     -3.849419      1.846672      5.210124
  N      -4.925585      1.101916      6.682781
  C      -4.434367      1.266968      8.048698
  C      -3.605241      2.540253      8.150475
  N      -2.662605      2.620364      7.005370
  C      -2.275637      4.013103      6.674455
  C      -3.425912      4.704817      5.965898
  C      -1.474753      1.743946      7.175639
  C      -0.989239      1.299605      5.798751
  N      -2.146591      0.864722      5.023974
  H      -3.052855      5.633088      5.493936
  H      -4.194717      5.021955      6.697679
  H      -1.415011      3.953753      5.993855
  H      -1.961938      4.560748      7.580690
  H      -0.270707      0.472021      5.919332
  H      -0.443275      2.119078      5.294352
  H      -1.795583      0.856840      7.738104
  H      -0.691256      2.262442      7.756605
  H      -5.283587      1.338892      8.754137
  H      -3.838495      0.389393      8.369177
  H      -4.275759      3.408217      8.082782
  H      -3.061927      2.598993      9.110029
  C      -4.929898      4.496930      4.062591
  C      -6.265973      4.884627      4.720971
  C      -7.104156      3.702397      5.177328
  O      -7.421825      2.882849      4.024228
  C      -8.702490      2.788736      3.616644
  N      -9.701803      3.208536      4.379653
  C     -10.949755      3.068248      3.875768
  N     -11.300133      2.586054      2.694840
  C     -10.269816      2.174832      1.889842
  C     -10.521312      1.693741      0.584462
  C      -9.445448      1.302748     -0.198252
  C      -8.145081      1.373168      0.322607
  N      -7.860592      1.821132      1.552114
  C      -8.911741      2.228485      2.318960
  C      -2.049040     -0.403601      4.295468
  C      -1.863804     -0.274056      2.774167
  C      -2.466887     -1.509232      2.116178
  O      -2.322011     -1.571505      0.676369
  C      -3.144794     -0.828222     -0.077484
  N      -3.901163      0.127911      0.463815
  C      -4.643265      0.879341     -0.384378
  N      -4.745686      0.768734     -1.694220
  C      -4.008289     -0.243054     -2.262393
  C      -4.065542     -0.475818     -3.651391
  C      -3.305113     -1.508893     -4.186343
  C      -2.504310     -2.284930     -3.331307
  N      -2.415677     -2.100198     -2.012512
  C      -3.159580     -1.091943     -1.486845
  C      -6.001989      0.128289      6.546966
  C      -5.543549     -1.314034      6.823261
  C      -6.445045     -2.358569      6.188506
  O      -6.216635     -2.390004      4.755167
  C      -7.201725     -2.004681      3.923602
  N      -8.333376     -1.502901      4.393129
  C      -9.288768     -1.184893      3.485865
  N      -9.236640     -1.322878      2.174031
  C      -8.059184     -1.813504      1.674729
  C      -7.883954     -1.974760      0.279123
  C      -6.679715     -2.479485     -0.187856
  C      -5.671023     -2.814669      0.734000
  N      -5.787940     -2.670638      2.055851
  C      -6.967191     -2.177358      2.517107
  H      -4.452203      5.417566      3.676271
  H      -5.127576      3.845602      3.201673
  H      -6.089539      5.532995      5.594895
  H      -6.848657      5.482726      4.001807
  H      -8.034254      4.025836      5.660030
  H      -6.544568      3.051652      5.866151
  H     -11.759673      3.401063      4.533169
  H     -11.551289      1.645950      0.229778
  H      -9.592917      0.934689     -1.214287
  H      -7.299724      1.053723     -0.289508
  H      -1.228503     -1.001449      4.729079
  H      -2.972724     -0.977937      4.477509
  H      -0.802255     -0.163567      2.506248
  H      -2.396606      0.619997      2.427442
  H      -3.534579     -1.599346      2.367483
  H      -1.959555     -2.421620      2.460670
  H      -5.221435      1.677968      0.092611
  H      -4.704710      0.159612     -4.265437
  H      -3.321537     -1.724752     -5.255545
  H      -1.902857     -3.101824     -3.742332
  H      -6.394163      0.196999      5.525464
  H      -6.834379      0.384844      7.231081
  H      -4.522548     -1.446728      6.427740
  H      -5.496924     -1.510267      7.906352
  H      -7.507519     -2.165639      6.386811
  H      -6.181421     -3.365839      6.540295
  H     -10.211253     -0.769533      3.903260
  H      -8.704240     -1.707195     -0.386710
  H      -6.499709     -2.617563     -1.255302
  H      -4.720186     -3.219510      0.373552
  N      -4.798313      1.270471      3.820041
  N      -5.477801      0.811565      2.825943
  H      -4.923340      0.327277      2.085338
  H      -6.336127      1.327851      2.491180
99
Coordinates from ORCA-job orca E -6533.133312076216
  N      -3.991231      3.815662      4.948121
  Mo     -3.847052      1.846448      5.204719
  N      -4.921171      1.098717      6.677476
  C      -4.429912      1.263855      8.043284
  C      -3.603816      2.538520      8.146170
  N      -2.661762      2.621630      7.000983
  C      -2.277929      4.015126      6.671489
  C      -3.429799      4.704878      5.962366
  C      -1.472235      1.747366      7.170737
  C      -0.985334      1.304864      5.793245
  N      -2.141708      0.867801      5.018867
  H      -3.058333      5.633279      5.490339
  H      -4.199748      5.020730      6.694158
  H      -1.416364      3.957977      5.991235
  H      -1.966102      4.562645      7.578792
  H      -0.264471      0.479104      5.912996
  H      -0.441576      2.125571      5.288933
  H      -1.792121      0.859427      7.732469
  H      -0.689672      2.266469      7.752759
  H      -5.279029      1.333697      8.748738
  H      -3.832401      0.387502      8.362898
  H      -4.276106      3.404773      8.079502
  H      -3.060313      2.597727      9.105704
  C      -4.933697      4.495131      4.059600
  C      -6.270174      4.880688      4.718477
  C      -7.104498      3.698195      5.177872
  O      -7.419891      2.876388      4.027397
  C      -8.699788      2.783905      3.616264
  N      -9.700703      3.206329      4.375366
  C     -10.947519      3.067011      3.868269
  N     -11.295426      2.584737      2.687664
  C     -10.264008      2.169807      1.886838
  C     -10.513246      1.686266      0.582331
  C      -9.436835      1.288218     -0.196734
  C      -8.137680      1.356870      0.326741
  N      -7.854995      1.809475      1.555915
  C      -8.907036      2.221390      2.319599
  C      -2.043939     -0.401945      4.295797
  C      -1.860954     -0.277230      2.773667
  C      -2.470377     -1.510328      2.119197
  O      -2.324348     -1.576921      0.679731
  C      -3.137827     -0.827862     -0.075158
  N      -3.892713      0.129318      0.464992
  C      -4.628179      0.885238     -0.384625
  N      -4.726096      0.777611     -1.695152
  C      -3.989128     -0.234782     -2.262101
  C      -4.042002     -0.464461     -3.652210
  C      -3.281358     -1.497878     -4.185879
  C      -2.484419     -2.277526     -3.328424
  N      -2.401591     -2.096528     -2.008819
  C      -3.145882     -1.087768     -1.484584
  C      -5.997052      0.124024      6.542476
  C      -5.538010     -1.318364      6.818640
  C      -6.443676     -2.362969      6.190370
  O      -6.226199     -2.391532      4.755507
  C      -7.216985     -2.005762      3.931980
  N      -8.345134     -1.503306      4.409526
  C      -9.305868     -1.182603      3.509084
  N      -9.262105     -1.317782      2.197033
  C      -8.087791     -1.808428      1.689933
  C      -7.921031     -1.965374      0.293206
  C      -6.719462     -2.468544     -0.182094
  C      -5.704713     -2.805341      0.732707
  N      -5.813503     -2.665363      2.055258
  C      -6.990517     -2.174804      2.524520
  H      -4.457573      5.415482      3.672435
  H      -5.130846      3.843643      3.199505
  H      -6.095040      5.530741      5.590521
  H      -6.854716      5.475308      3.999299
  H      -8.034997      4.019579      5.660652
  H      -6.543012      3.051200      5.866574
  H     -11.758440      3.402670      4.521910
  H     -11.542340      1.640341      0.225259
  H      -9.583234      0.916095     -1.212069
  H      -7.291555      1.032088     -0.282182
  H      -1.222402     -0.996873      4.730219
  H      -2.967064     -0.975775      4.481437
  H      -0.798927     -0.171594      2.502319
  H      -2.392108      0.618977      2.426030
  H      -3.538058     -1.593111      2.370065
  H      -1.969242     -2.424178      2.465638
  H      -5.207069      1.684085      0.091348
  H      -4.678802      0.173610     -4.268241
  H      -3.294336     -1.711314     -5.255919
  H      -1.882668     -3.094831     -3.738433
  H      -6.390215      0.192735      5.521256
  H      -6.828853      0.380108      7.227401
  H      -4.519169     -1.451201      6.418731
  H      -5.486282     -1.514368      7.902193
  H      -7.504309     -2.171297      6.396464
  H      -6.177196     -3.370715      6.540315
  H     -10.225476     -0.765188      3.932710
  H      -8.745743     -1.694890     -0.367406
  H      -6.546089     -2.603010     -1.250886
  H      -4.755672     -3.207364      0.365508
  N      -4.793873      1.268819      3.814514
  N      -5.471605      0.809124      2.819676
  H      -4.916292      0.322137      2.080505
  H      -6.330441      1.324351      2.482314
99
Coordinates from ORCA-job orca E -6533.133373886705
  N      -3.993787      3.819497      4.946044
  Mo     -3.845954      1.850928      5.196800
  N      -4.917462      1.099490      6.668932
  C      -4.427538      1.265469      8.035374
  C      -3.600971      2.540334      8.137980
  N      -2.659453      2.624330      6.992832
  C      -2.276324      4.018170      6.664477
  C      -3.429279      4.708176      5.959421
  C      -1.469868      1.750125      7.160869
  C      -0.983661      1.310359      5.782483
  N      -2.140134      0.873744      5.008258
  H      -3.059069      5.636982      5.487138
  H      -4.196705      5.023610      6.693106
  H      -1.416698      3.962352      5.982958
  H      -1.963023      4.564777      7.571480
  H      -0.261701      0.485311      5.900027
  H      -0.441419      2.132596      5.279238
  H      -1.789365      0.860983      7.720960
  H      -0.687316      2.268250      7.743699
  H      -5.278000      1.336128      8.739844
  H      -3.830512      0.388653      8.356852
  H      -4.273236      3.406584      8.071545
  H      -3.057195      2.599423      9.097048
  C      -4.940787      4.500066      4.062698
  C      -6.274459      4.883295      4.728405
  C      -7.104023      3.698166      5.194009
  O      -7.419566      2.868779      4.048598
  C      -8.698440      2.782596      3.631175
  N      -9.700860      3.215577      4.382999
  C     -10.945987      3.079234      3.870788
  N     -11.291017      2.590694      2.691698
  C     -10.258066      2.165412      1.898206
  C     -10.503328      1.675925      0.595691
  C      -9.425047      1.267395     -0.176170
  C      -8.128520      1.332567      0.352442
  N      -7.849600      1.791736      1.580175
  C      -8.902918      2.212920      2.337423
  C      -2.046965     -0.401609      4.291162
  C      -1.863781     -0.286659      2.768148
  C      -2.483033     -1.518834      2.120463
  O      -2.335204     -1.593068      0.681495
  C      -3.138759     -0.837196     -0.078380
  N      -3.895632      0.120791      0.457969
  C      -4.618842      0.883736     -0.395899
  N      -4.701751      0.782898     -1.707896
  C      -3.961973     -0.229714     -2.271314
  C      -3.995523     -0.449631     -3.663378
  C      -3.230809     -1.482111     -4.193634
  C      -2.449524     -2.271378     -3.331108
  N      -2.384529     -2.099492     -2.009809
  C      -3.132224     -1.090783     -1.488884
  C      -5.994879      0.127266      6.533814
  C      -5.538058     -1.314520      6.815234
  C      -6.445241     -2.359325      6.188736
  O      -6.234215     -2.384590      4.752464
  C      -7.232362     -2.004661      3.934202
  N      -8.360800     -1.508189      4.418495
  C      -9.329243     -1.194531      3.523814
  N      -9.293452     -1.332856      2.211905
  C      -8.118996     -1.816324      1.697566
  C      -7.960624     -1.975849      0.300051
  C      -6.757752     -2.468806     -0.182895
  C      -5.733726     -2.792182      0.724862
  N      -5.834724     -2.650921      2.048140
  C      -7.013124     -2.171634      2.525165
  H      -4.466610      5.421990      3.674348
  H      -5.141544      3.849074      3.201720
  H      -6.096403      5.535729      5.599152
  H      -6.863983      5.475899      4.010144
  H      -8.034189      4.018764      5.678130
  H      -6.538223      3.054954      5.884288
  H     -11.758578      3.424097      4.517853
  H     -11.530565      1.633701      0.233948
  H      -9.568789      0.890451     -1.189704
  H      -7.280589      1.000196     -0.249471
  H      -1.227677     -0.997624      4.730109
  H      -2.971844     -0.971947      4.479411
  H      -0.801478     -0.191806      2.496340
  H      -2.387038      0.611843      2.416041
  H      -3.551693     -1.592389      2.370286
  H      -1.988850     -2.435139      2.472001
  H      -5.198291      1.683701      0.077120
  H      -4.620150      0.195670     -4.283220
  H      -3.228403     -1.687362     -5.264891
  H      -1.844923     -3.088421     -3.738491
  H      -6.385219      0.193515      5.509877
  H      -6.828577      0.387240      7.216127
  H      -4.519361     -1.449926      6.416818
  H      -5.487492     -1.507362      7.899690
  H      -7.505241     -2.169185      6.399399
  H      -6.175906     -3.367595      6.536466
  H     -10.248589     -0.779606      3.952577
  H      -8.792506     -1.715523     -0.354935
  H      -6.590451     -2.604462     -1.252774
  H      -4.783403     -3.184258      0.351343
  N      -4.793698      1.272166      3.808321
  N      -5.471188      0.809841      2.815673
  H      -4.917230      0.315334      2.080904
  H      -6.332472      1.324330      2.475229
99
Coordinates from ORCA-job orca E -6533.133427339739
  N      -4.008199      3.823648      4.944528
  Mo     -3.847438      1.855143      5.187010
  N      -4.904742      1.092847      6.661733
  C      -4.410952      1.261045      8.026416
  C      -3.592363      2.541000      8.127229
  N      -2.655108      2.631217      6.978448
  C      -2.279985      4.027915      6.650243
  C      -3.439571      4.714480      5.951679
  C      -1.460902      1.761347      7.139993
  C      -0.978774      1.330384      5.757420
  N      -2.136789      0.887973      4.986529
  H      -3.076438      5.643159      5.475653
  H      -4.203090      5.028813      6.689242
  H      -1.422057      3.977154      5.965226
  H      -1.966292      4.574962      7.556591
  H      -0.248807      0.510479      5.867990
  H      -0.445264      2.160030      5.254060
  H      -1.774805      0.868049      7.697710
  H      -0.678314      2.280259      7.722378
  H      -5.259086      1.326200      8.733698
  H      -3.807745      0.387775      8.344761
  H      -4.270223      3.403579      8.063510
  H      -3.045731      2.602517      9.084703
  C      -4.964218      4.501042      4.069996
  C      -6.292046      4.881831      4.747720
  C      -7.112012      3.692005      5.220558
  O      -7.428564      2.855459      4.078781
  C      -8.703226      2.789238      3.646010
  N      -9.706648      3.245880      4.383714
  C     -10.946654      3.124088      3.859165
  N     -11.286212      2.625818      2.681209
  C     -10.251337      2.177762      1.901951
  C     -10.489432      1.675838      0.601843
  C      -9.407748      1.247676     -0.155698
  C      -8.116217      1.306213      0.384333
  N      -7.844647      1.775483      1.610210
  C      -8.900577      2.213594      2.354728
  C      -2.047802     -0.399176      4.289149
  C      -1.866052     -0.308726      2.764923
  C      -2.511938     -1.537199      2.133813
  O      -2.363183     -1.629547      0.695969
  C      -3.144443     -0.857212     -0.072388
  N      -3.898709      0.105980      0.458581
  C      -4.598969      0.884685     -0.400544
  N      -4.659576      0.795878     -1.714779
  C      -3.921712     -0.220601     -2.274267
  C      -3.929267     -0.424845     -3.669663
  C      -3.168098     -1.461267     -4.196365
  C      -2.416967     -2.271208     -3.327108
  N      -2.375339     -2.113819     -2.002634
  C      -3.118466     -1.100005     -1.485289
  C      -5.983613      0.121375      6.531109
  C      -5.528489     -1.321434      6.807507
  C      -6.438312     -2.362251      6.179907
  O      -6.235803     -2.377672      4.742613
  C      -7.243479     -2.002851      3.932979
  N      -8.371295     -1.517256      4.427988
  C      -9.350774     -1.212459      3.542730
  N      -9.327439     -1.352412      2.230421
  C      -8.154177     -1.825048      1.704811
  C      -8.009927     -1.986462      0.305783
  C      -6.806852     -2.468690     -0.188548
  C      -5.769243     -2.779737      0.709831
  N      -5.857266     -2.636677      2.034079
  C      -7.036135     -2.167815      2.522062
  H      -4.496503      5.421833      3.675941
  H      -5.170830      3.848150      3.213137
  H      -6.108563      5.536605      5.616207
  H      -6.890295      5.471623      4.033733
  H      -8.041291      4.009476      5.709137
  H      -6.537771      3.052639      5.909669
  H     -11.761156      3.487555      4.494349
  H     -11.513617      1.640602      0.230570
  H      -9.545276      0.861149     -1.166552
  H      -7.265188      0.958848     -0.204590
  H      -1.229036     -0.988833      4.737266
  H      -2.972756     -0.966283      4.487784
  H      -0.802796     -0.240979      2.490284
  H      -2.368947      0.595789      2.402542
  H      -3.582902     -1.587504      2.383344
  H      -2.035714     -2.459759      2.496553
  H      -5.177305      1.687165      0.069456
  H      -4.531228      0.235847     -4.294155
  H      -3.146050     -1.654287     -5.269963
  H      -1.816221     -3.092236     -3.731826
  H      -6.377623      0.189627      5.512019
  H      -6.811734      0.380954      7.216807
  H      -4.509896     -1.456987      6.407029
  H      -5.477458     -1.517782      7.890421
  H      -7.497293     -2.174590      6.399236
  H      -6.165590     -3.371866      6.518073
  H     -10.268575     -0.807490      3.980554
  H      -8.852167     -1.737638     -0.340723
  H      -6.649893     -2.606253     -1.259896
  H      -4.818241     -3.163046      0.327627
  N      -4.798341      1.272016      3.802422
  N      -5.475658      0.807780      2.811834
  H      -4.922958      0.304894      2.083031
  H      -6.343779      1.313884      2.470554
99
Coordinates from ORCA-job orca E -6533.133452050278
  N      -4.021142      3.827179      4.952228
  Mo     -3.845050      1.858728      5.185126
  N      -4.891452      1.081453      6.659783
  C      -4.393158      1.244708      8.023911
  C      -3.580047      2.528718      8.128639
  N      -2.649058      2.633669      6.976327
  C      -2.287503      4.035497      6.657539
  C      -3.455047      4.715932      5.966462
  C      -1.446638      1.774928      7.124280
  C      -0.970603      1.357965      5.736403
  N      -2.128026      0.906764      4.971776
  H      -3.099768      5.652257      5.495703
  H      -4.219219      5.017632      6.709547
  H      -1.430935      3.998895      5.971151
  H      -1.976754      4.578298      7.567518
  H      -0.229177      0.548287      5.834568
  H      -0.454314      2.196653      5.234883
  H      -1.746884      0.876729      7.676821
  H      -0.667269      2.297579      7.704364
  H      -5.239606      1.300821      8.734470
  H      -3.783838      0.372841      8.335701
  H      -4.263010      3.387590      8.073034
  H      -3.028955      2.587183      9.083939
  C      -4.979620      4.506321      4.079178
  C      -6.308610      4.881028      4.759134
  C      -7.124060      3.687529      5.230550
  O      -7.435757      2.850581      4.090638
  C      -8.708316      2.793372      3.647064
  N      -9.714905      3.254337      4.378043
  C     -10.953405      3.136452      3.845239
  N     -11.289136      2.637288      2.665451
  C     -10.250231      2.187646      1.892449
  C     -10.483014      1.685300      0.591945
  C      -9.396612      1.257999     -0.158610
  C      -8.107567      1.314577      0.388590
  N      -7.841914      1.782004      1.614944
  C      -8.900651      2.221423      2.353656
  C      -2.037753     -0.388525      4.288960
  C      -1.862954     -0.318351      2.761289
  C      -2.536303     -1.540473      2.145922
  O      -2.389006     -1.653247      0.709437
  C      -3.152576     -0.871565     -0.067508
  N      -3.900717      0.098982      0.456838
  C      -4.586382      0.885347     -0.407025
  N      -4.637612      0.798206     -1.721312
  C      -3.904759     -0.224662     -2.274782
  C      -3.901600     -0.425330     -3.669748
  C      -3.144133     -1.466738     -4.191115
  C      -2.408780     -2.285866     -3.316866
  N      -2.378471     -2.132828     -1.992175
  C      -3.116747     -1.113063     -1.480080
  C      -5.973553      0.111720      6.528844
  C      -5.519343     -1.332596      6.801637
  C      -6.431561     -2.370950      6.172528
  O      -6.235156     -2.378709      4.734621
  C      -7.245663     -1.997580      3.930916
  N      -8.368827     -1.506368      4.433085
  C      -9.352350     -1.198029      3.553516
  N      -9.338051     -1.342970      2.241805
  C      -8.169980     -1.823172      1.708833
  C      -8.036297     -1.995189      0.310470
  C      -6.837559     -2.484294     -0.190757
  C      -5.793680     -2.790599      0.699389
  N      -5.872346     -2.639953      2.022772
  C      -7.047369     -2.165566      2.518309
  H      -4.512293      5.430296      3.687178
  H      -5.187259      3.855702      3.220022
  H      -6.126402      5.534299      5.628011
  H      -6.909837      5.469839      4.047349
  H      -8.054917      3.999378      5.719339
  H      -6.546960      3.050899      5.917713
  H     -11.771404      3.502122      4.475089
  H     -11.506455      1.650729      0.215079
  H      -9.528464      0.872302     -1.168995
  H      -7.253113      0.967040     -0.193703
  H      -1.214435     -0.969668      4.741855
  H      -2.959123     -0.956551      4.499378
  H      -0.799165     -0.277127      2.479943
  H      -2.348551      0.593441      2.390814
  H      -3.607643     -1.566510      2.396490
  H      -2.079353     -2.468091      2.519586
  H      -5.161165      1.692195      0.059284
  H      -4.492695      0.242146     -4.297495
  H      -3.113137     -1.656511     -5.264367
  H      -1.811604     -3.111164     -3.717557
  H      -6.368773      0.181617      5.509215
  H      -6.802032      0.372188      7.216829
  H      -4.500696     -1.468749      6.399550
  H      -5.467527     -1.531350      7.884065
  H      -7.490426     -2.185198      6.398359
  H      -6.155823     -3.382463      6.503459
  H     -10.265516     -0.786639      3.996466
  H      -8.882865     -1.750148     -0.328897
  H      -6.688902     -2.630961     -1.261422
  H      -4.845375     -3.177475      0.311703
  N      -4.795633      1.274511      3.801493
  N      -5.468612      0.811104      2.808710
  H      -4.913357      0.310258      2.081201
  H      -6.347896      1.311098      2.469827
99
Coordinates from ORCA-job orca E -6533.133491879829
  N      -4.023669      3.825454      4.952621
  Mo     -3.845896      1.857662      5.183470
  N      -4.890401      1.079416      6.658350
  C      -4.390592      1.241520      8.021382
  C      -3.579577      2.526508      8.126875
  N      -2.649761      2.633216      6.974219
  C      -2.290128      4.035698      6.655898
  C      -3.459137      4.714410      5.967076
  C      -1.446761      1.774224      7.122763
  C      -0.970145      1.359642      5.733686
  N      -2.127375      0.907056      4.969264
  H      -3.106843      5.651903      5.497583
  H      -4.222661      5.013553      6.711074
  H      -1.434641      4.000567      5.968734
  H      -1.979259      4.578669      7.565600
  H      -0.227831      0.550515      5.831078
  H      -0.454609      2.199894      5.232564
  H      -1.749381      0.873162      7.674558
  H      -0.666066      2.296174      7.705909
  H      -5.235257      1.295583      8.732949
  H      -3.780193      0.370425      8.330516
  H      -4.263168      3.384483      8.072994
  H      -3.027701      2.584730      9.081224
  C      -4.983320      4.503827      4.080981
  C      -6.312639      4.874044      4.762507
  C      -7.123967      3.677590      5.230977
  O      -7.436640      2.844482      4.087231
  C      -8.709637      2.790366      3.644398
  N      -9.715631      3.249386      4.377727
  C     -10.953728      3.136015      3.845268
  N     -11.289134      2.644473      2.664156
  C     -10.251677      2.194541      1.889365
  C     -10.485396      1.696297      0.587978
  C      -9.401451      1.263765     -0.164558
  C      -8.112195      1.316355      0.381663
  N      -7.845009      1.783145      1.608804
  C      -8.902810      2.223046      2.349418
  C      -2.035582     -0.387472      4.287245
  C      -1.860828     -0.317152      2.760387
  C      -2.532758     -1.539703      2.145603
  O      -2.387124     -1.651679      0.709139
  C      -3.149948     -0.869530     -0.066306
  N      -3.896146      0.102012      0.458391
  C      -4.582345      0.887900     -0.405572
  N      -4.635418      0.799340     -1.719961
  C      -3.904470     -0.224521     -2.273559
  C      -3.905562     -0.428271     -3.669001
  C      -3.152323     -1.472199     -4.190215
  C      -2.415837     -2.290162     -3.315400
  N      -2.381619     -2.134145     -1.990548
  C      -3.116485     -1.112495     -1.478650
  C      -5.973569      0.113683      6.528347
  C      -5.521930     -1.329810      6.806591
  C      -6.434600     -2.369245      6.179056
  O      -6.236523     -2.385481      4.740395
  C      -7.244158     -2.002633      3.934206
  N      -8.366153     -1.506726      4.433481
  C      -9.346101     -1.193373      3.551507
  N      -9.329164     -1.335741      2.239542
  C      -8.161865     -1.819908      1.709718
  C      -8.025035     -1.987301      0.311036
  C      -6.827491     -2.479274     -0.187344
  C      -5.787583     -2.792526      0.706077
  N      -5.869076     -2.645815      2.029940
  C      -7.043070     -2.169184      2.522479
  H      -4.518212      5.430337      3.691145
  H      -5.188888      3.854085      3.219308
  H      -6.131735      5.525376      5.633431
  H      -6.915357      5.463270      4.052956
  H      -8.053995      3.986379      5.723360
  H      -6.544077      3.039287      5.914197
  H     -11.770455      3.501897      4.476372
  H     -11.508110      1.666247      0.212042
  H      -9.535205      0.877486     -1.175918
  H      -7.258983      0.966576     -0.202870
  H      -1.212331     -0.966399      4.739647
  H      -2.956172     -0.956866      4.497725
  H      -0.797721     -0.274209      2.478025
  H      -2.348227      0.594505      2.390691
  H      -3.603536     -1.566582      2.397369
  H      -2.075043     -2.466716      2.518673
  H      -5.157439      1.695186      0.060297
  H      -4.497441      0.238431     -4.297506
  H      -3.125418     -1.664938     -5.263855
  H      -1.821955     -3.117340     -3.715850
  H      -6.368135      0.182369      5.506026
  H      -6.802271      0.378159      7.214859
  H      -4.504525     -1.469269      6.406380
  H      -5.470683     -1.524304      7.890428
  H      -7.492419     -2.179553      6.401000
  H      -6.161891     -3.379415      6.516380
  H     -10.258431     -0.777915      3.992037
  H      -8.868448     -1.734730     -0.331486
  H      -6.676636     -2.622428     -1.258416
  H      -4.840460     -3.182029      0.320654
  N      -4.796773      1.273828      3.799740
  N      -5.468970      0.809385      2.806860
  H      -4.913065      0.308878      2.078228
  H      -6.348127      1.306975      2.471000
99
Coordinates from ORCA-job orca E -6533.133514479430
  N      -4.021975      3.828311      4.950085
  Mo     -3.845767      1.860004      5.182719
  N      -4.894413      1.083322      6.656243
  C      -4.396348      1.244677      8.019850
  C      -3.584945      2.528828      8.127341
  N      -2.652694      2.634094      6.976377
  C      -2.290366      4.035882      6.656889
  C      -3.457642      4.716797      5.964113
  C      -1.450816      1.774088      7.127703
  C      -0.971486      1.356612      5.740092
  N      -2.127864      0.906187      4.973152
  H      -3.102786      5.652712      5.493906
  H      -4.223108      5.018201      6.706302
  H      -1.432516      3.997702      5.970565
  H      -1.980035      4.579442      7.566937
  H      -0.231388      0.545719      5.839871
  H      -0.452458      2.194845      5.239374
  H      -1.754628      0.874753      7.680142
  H      -0.671239      2.296093      7.710871
  H      -5.241457      1.298954      8.730202
  H      -3.787221      0.373491      8.329010
  H      -4.267817      3.387172      8.072142
  H      -3.034994      2.586849      9.082941
  C      -4.983825      4.505522      4.080718
  C      -6.312671      4.874204      4.763683
  C      -7.121087      3.677527      5.235549
  O      -7.434384      2.842117      4.093910
  C      -8.707342      2.788565      3.651232
  N      -9.712646      3.249516      4.383933
  C     -10.950924      3.136398      3.851991
  N     -11.287029      2.643795      2.671687
  C     -10.250315      2.192246      1.897272
  C     -10.484984      1.693917      0.596217
  C      -9.402079      1.259612     -0.156710
  C      -8.112710      1.310940      0.388883
  N      -7.844233      1.778223      1.616085
  C      -8.901358      2.219824      2.357031
  C      -2.036381     -0.386771      4.287880
  C      -1.859855     -0.312864      2.761218
  C      -2.523955     -1.538868      2.143714
  O      -2.378074     -1.648246      0.706918
  C      -3.145221     -0.869351     -0.068652
  N      -3.892429      0.101682      0.455299
  C      -4.580609      0.884909     -0.409802
  N      -4.634811      0.793961     -1.724193
  C      -3.903025     -0.229802     -2.276761
  C      -3.904733     -0.436326     -3.671903
  C      -3.150190     -1.480170     -4.191759
  C      -2.411308     -2.295042     -3.315996
  N      -2.376156     -2.136073     -1.991475
  C      -3.112812     -1.114890     -1.480885
  C      -5.975121      0.113814      6.524481
  C      -5.520160     -1.329622      6.798873
  C      -6.432791     -2.369723      6.172997
  O      -6.236438     -2.384061      4.734807
  C      -7.245054     -2.000586      3.930698
  N      -8.366447     -1.505314      4.431848
  C      -9.348059     -1.192208      3.551564
  N      -9.332861     -1.333517      2.239479
  C      -8.165972     -1.816528      1.707854
  C      -8.030649     -1.982071      0.308851
  C      -6.833917     -2.474436     -0.191401
  C      -5.792880     -2.789350      0.700624
  N      -5.872638     -2.643515      2.024592
  C      -7.045917     -2.166633      2.518820
  H      -4.521067      5.431473      3.690597
  H      -5.189478      3.856417      3.220445
  H      -6.131672      5.527135      5.633044
  H      -6.917641      5.461032      4.054281
  H      -8.050747      3.985709      5.728813
  H      -6.539305      3.041445      5.918682
  H     -11.766909      3.504117      4.482451
  H     -11.507672      1.664972      0.220655
  H      -9.536982      0.872961     -1.167892
  H      -7.260342      0.959989     -0.196425
  H      -1.214172     -0.968077      4.739260
  H      -2.957927     -0.955923      4.495902
  H      -0.796999     -0.263100      2.480244
  H      -2.351898      0.596203      2.392844
  H      -3.595322     -1.572792      2.395701
  H      -2.060394     -2.464158      2.515331
  H      -5.155108      1.693025      0.054986
  H      -4.497718      0.228322     -4.301406
  H      -3.123681     -1.675127     -5.265022
  H      -1.815998     -3.121923     -3.715369
  H      -6.370338      0.183877      5.504067
  H      -6.803805      0.373867      7.211765
  H      -4.503002     -1.466057      6.395526
  H      -5.465850     -1.526415      7.881844
  H      -7.490865     -2.181707      6.396729
  H      -6.158649     -3.379950      6.509059
  H     -10.260061     -0.777547      3.993697
  H      -8.874766     -1.727928     -0.332711
  H      -6.684706     -2.616459     -1.262748
  H      -4.846406     -3.179531      0.313921
  N      -4.794403      1.277547      3.796492
  N      -5.467735      0.814128      2.803476
  H      -4.912909      0.312222      2.074581
  H      -6.345645      1.313075      2.467001
99
Coordinates from ORCA-job orca E -6533.133540563895
  N      -4.025371      3.830902      4.952955
  Mo     -3.844102      1.862813      5.181481
  N      -4.890190      1.080850      6.654015
  C      -4.392267      1.241542      8.018435
  C      -3.583304      2.527055      8.127246
  N      -2.651272      2.635747      6.975771
  C      -2.292838      4.039150      6.657894
  C      -3.462821      4.718314      5.968850
  C      -1.447112      1.778275      7.124893
  C      -0.967748      1.364740      5.736060
  N      -2.124010      0.912916      4.968832
  H      -3.112060      5.656705      5.501109
  H      -4.227961      5.014832      6.713007
  H      -1.436312      4.004360      5.970136
  H      -1.982488      4.582135      7.568147
  H      -0.224881      0.555400      5.833755
  H      -0.450992      2.205859      5.236279
  H      -1.748240      0.877318      7.675903
  H      -0.668560      2.301016      7.708361
  H      -5.238430      1.294019      8.729474
  H      -3.780979      0.370335      8.327252
  H      -4.268095      3.384619      8.073047
  H      -3.033458      2.584696      9.083237
  C      -4.990960      4.507512      4.087131
  C      -6.319930      4.869967      4.773464
  C      -7.124392      3.669097      5.243692
  O      -7.437620      2.834701      4.101238
  C      -8.709168      2.787744      3.654459
  N      -9.714020      3.253016      4.384835
  C     -10.951492      3.144241      3.850242
  N     -11.287348      2.650791      2.669414
  C     -10.250509      2.196461      1.896778
  C     -10.484391      1.698918      0.595119
  C      -9.400785      1.265188     -0.156339
  C      -8.112233      1.314604      0.391309
  N      -7.844816      1.779025      1.619332
  C      -8.902173      2.221261      2.359105
  C      -2.031717     -0.380887      4.287581
  C      -1.859204     -0.312678      2.759992
  C      -2.528122     -1.538342      2.147841
  O      -2.383031     -1.653659      0.711469
  C      -3.145940     -0.874193     -0.066547
  N      -3.892605      0.098946      0.454544
  C      -4.577997      0.881849     -0.412890
  N      -4.630593      0.788415     -1.727097
  C      -3.899484     -0.237627     -2.276856
  C      -3.900202     -0.447242     -3.671489
  C      -3.145438     -1.493035     -4.188224
  C      -2.407316     -2.306503     -3.309858
  N      -2.373998     -2.144994     -1.985679
  C      -3.110995     -1.122118     -1.478173
  C      -5.970930      0.111340      6.521757
  C      -5.516005     -1.332625      6.791931
  C      -6.430619     -2.371323      6.167763
  O      -6.236816     -2.385931      4.729305
  C      -7.245677     -1.999494      3.926684
  N      -8.365342     -1.502529      4.429709
  C      -9.347711     -1.187830      3.550873
  N      -9.334364     -1.328690      2.238483
  C      -8.169269     -1.813131      1.704862
  C      -8.035852     -1.977672      0.305244
  C      -6.840882     -2.472134     -0.197113
  C      -5.799649     -2.790755      0.693848
  N      -5.877635     -2.645710      2.018393
  C      -7.049051     -2.165970      2.514355
  H      -4.531615      5.436275      3.699478
  H      -5.195967      3.860547      3.225012
  H      -6.139219      5.521316      5.644439
  H      -6.928131      5.457149      4.066332
  H      -8.054116      3.973344      5.739143
  H      -6.539413      3.032652      5.924339
  H     -11.767395      3.515150      4.479021
  H     -11.506821      1.671522      0.218058
  H      -9.534292      0.880443     -1.167677
  H      -7.259571      0.964318     -0.193143
  H      -1.206747     -0.959612      4.738441
  H      -2.951894     -0.950184      4.500067
  H      -0.796239     -0.266665      2.476200
  H      -2.350063      0.596130      2.388845
  H      -3.598781     -1.567517      2.400928
  H      -2.068106     -2.463576      2.522742
  H      -5.152015      1.691599      0.049840
  H      -4.492855      0.216445     -4.303138
  H      -3.117986     -1.690451     -5.260975
  H      -1.811540     -3.134679     -3.706718
  H      -6.368128      0.184401      5.503688
  H      -6.797550      0.369150      7.211044
  H      -4.500140     -1.468595      6.384861
  H      -5.458427     -1.531489      7.874210
  H      -7.487945     -2.182440      6.393685
  H      -6.156784     -3.381642      6.503116
  H     -10.258330     -0.772668      3.994632
  H      -8.879931     -1.720884     -0.335263
  H      -6.693438     -2.613477     -1.269207
  H      -4.854587     -3.182955      0.305685
  N      -4.791723      1.281159      3.793840
  N      -5.464260      0.818368      2.800085
  H      -4.908645      0.317789      2.070830
  H      -6.345759      1.313833      2.466751
99
Coordinates from ORCA-job orca E -6533.133593868536
  N      -4.039543      3.838590      4.960758
  Mo     -3.842635      1.870977      5.176584
  N      -4.880566      1.073697      6.646643
  C      -4.379476      1.228257      8.010763
  C      -3.578221      2.517872      8.126352
  N      -2.649833      2.640148      6.973172
  C      -2.303743      4.048533      6.662661
  C      -3.481788      4.722373      5.983398
  C      -1.438604      1.791409      7.113554
  C      -0.961079      1.390638      5.720565
  N      -2.116249      0.933038      4.954952
  H      -3.141828      5.668618      5.523230
  H      -4.246923      5.004101      6.733155
  H      -1.450257      4.025515      5.971477
  H      -1.994164      4.588489      7.574872
  H      -0.209303      0.588409      5.809023
  H      -0.455491      2.240259      5.224023
  H      -1.730758      0.884731      7.659669
  H      -0.662834      2.316696      7.697984
  H      -5.223507      1.270409      8.724907
  H      -3.761769      0.358838      8.311222
  H      -4.268242      3.371599      8.079330
  H      -3.026512      2.572484      9.081451
  C      -5.015892      4.514151      4.105232
  C      -6.344386      4.858857      4.801788
  C      -7.132753      3.647093      5.270630
  O      -7.446740      2.814697      4.127030
  C      -8.714717      2.788646      3.668176
  N      -9.718499      3.265753      4.392639
  C     -10.953317      3.173133      3.849979
  N     -11.287658      2.683168      2.666842
  C     -10.250944      2.219676      1.899075
  C     -10.483114      1.724997      0.595549
  C      -9.399039      1.285752     -0.151987
  C      -8.112659      1.325803      0.401505
  N      -7.847657      1.783475      1.632149
  C      -8.905022      2.231001      2.368902
  C      -2.023297     -0.366116      4.283429
  C      -1.857648     -0.313634      2.754127
  C      -2.539947     -1.539132      2.156563
  O      -2.397388     -1.670978      0.721723
  C      -3.150175     -0.889782     -0.064280
  N      -3.896225      0.089686      0.447325
  C      -4.571849      0.872383     -0.428194
  N      -4.615304      0.773428     -1.741923
  C      -3.885286     -0.259060     -2.282105
  C      -3.877619     -0.475051     -3.675280
  C      -3.125456     -1.527792     -4.182285
  C      -2.397863     -2.341205     -3.295806
  N      -2.372174     -2.173569     -1.972366
  C      -3.106899     -1.144239     -1.474383
  C      -5.961795      0.104486      6.511947
  C      -5.506213     -1.340284      6.776993
  C      -6.423972     -2.377804      6.155621
  O      -6.235020     -2.392488      4.716960
  C      -7.242253     -1.995783      3.917338
  N      -8.356273     -1.489335      4.423256
  C      -9.338674     -1.167933      3.546756
  N      -9.330191     -1.310985      2.234568
  C      -8.170553     -1.804966      1.698070
  C      -8.042268     -1.973433      0.298558
  C      -6.853004     -2.478899     -0.206435
  C      -5.811796     -2.804606      0.682026
  N      -5.884984     -2.656048      2.006321
  C      -7.050951     -2.165218      2.504663
  H      -4.566354      5.450448      3.724019
  H      -5.220141      3.873357      3.238413
  H      -6.164954      5.507367      5.674680
  H      -6.963624      5.443110      4.102258
  H      -8.061552      3.939199      5.775143
  H      -6.535570      3.012582      5.941746
  H     -11.768825      3.553198      4.474054
  H     -11.504658      1.705168      0.214155
  H      -9.530625      0.902930     -1.164280
  H      -7.259739      0.972045     -0.180335
  H      -1.194954     -0.939084      4.736219
  H      -2.940609     -0.937058      4.504135
  H      -0.795813     -0.280628      2.464692
  H      -2.341485      0.596058      2.376083
  H      -3.610058     -1.555926      2.412236
  H      -2.088633     -2.464715      2.540556
  H      -5.145421      1.687151      0.027245
  H      -4.462543      0.188861     -4.313525
  H      -3.092196     -1.730728     -5.253669
  H      -1.804235     -3.174598     -3.685042
  H      -6.361134      0.181404      5.494523
  H      -6.788059      0.359982      7.203623
  H      -4.492490     -1.476469      6.364523
  H      -5.443044     -1.540585      7.858666
  H      -7.480502     -2.188069      6.385847
  H      -6.149585     -3.388420      6.488921
  H     -10.244543     -0.745854      3.992697
  H      -8.885648     -1.711107     -0.339701
  H      -6.710660     -2.624484     -1.278510
  H      -4.871196     -3.205857      0.292110
  N      -4.787614      1.291392      3.786276
  N      -5.458294      0.831263      2.790785
  H      -4.902055      0.333665      2.060209
  H      -6.350576      1.317233      2.466621
99
Coordinates from ORCA-job orca E -6533.133633032637
  N      -4.055490      3.848336      4.970670
  Mo     -3.839037      1.881277      5.171096
  N      -4.867883      1.065233      6.637371
  C      -4.363376      1.210536      8.001469
  C      -3.571125      2.505031      8.126679
  N      -2.647407      2.645114      6.971879
  C      -2.316424      4.059551      6.670858
  C      -3.504469      4.727154      6.001335
  C      -1.427551      1.807403      7.101748
  C      -0.952172      1.423278      5.703150
  N      -2.105129      0.958052      4.939810
  H      -3.177365      5.682547      5.550478
  H      -4.270948      4.990966      6.756605
  H      -1.464738      4.050799      5.976046
  H      -2.008900      4.595609      7.586294
  H      -0.189410      0.630845      5.779514
  H      -0.461521      2.283389      5.211273
  H      -1.709047      0.893080      7.641488
  H      -0.655035      2.335921      7.688123
  H      -5.205399      1.239544      8.719036
  H      -3.738093      0.342673      8.291401
  H      -4.267138      3.354055      8.089457
  H      -3.016981      2.554789      9.080425
  C      -5.046251      4.521963      4.129430
  C      -6.374733      4.840827      4.838448
  C      -7.142438      3.612930      5.301750
  O      -7.456900      2.785724      4.154598
  C      -8.720406      2.785784      3.680875
  N      -9.723836      3.274900      4.397834
  C     -10.955409      3.200292      3.844590
  N     -11.286504      2.717391      2.657919
  C     -10.249494      2.244314      1.896590
  C     -10.477134      1.757246      0.590390
  C      -9.392684      1.308666     -0.151361
  C      -8.110172      1.334162      0.410439
  N      -7.849547      1.784432      1.644752
  C      -8.907128      2.239100      2.376555
  C      -2.010875     -0.346303      4.279965
  C      -1.855384     -0.309951      2.748364
  C      -2.551023     -1.535971      2.167314
  O      -2.412012     -1.686781      0.734380
  C      -3.154997     -0.905635     -0.061661
  N      -3.896897      0.082774      0.438032
  C      -4.562388      0.862981     -0.448064
  N      -4.598776      0.754080     -1.761402
  C      -3.872386     -0.287214     -2.289469
  C      -3.857000     -0.513973     -3.680919
  C      -3.108312     -1.575417     -4.175101
  C      -2.391356     -2.386116     -3.277877
  N      -2.373213     -2.208359     -1.955534
  C      -3.105102     -1.171101     -1.470024
  C      -5.950028      0.098443      6.499482
  C      -5.494772     -1.346857      6.759251
  C      -6.417344     -2.384163      6.143698
  O      -6.235922     -2.403158      4.704046
  C      -7.241412     -1.993847      3.908356
  N      -8.347612     -1.474503      4.418644
  C      -9.330108     -1.142977      3.545702
  N      -9.328042     -1.286532      2.233461
  C      -8.175681     -1.792368      1.692445
  C      -8.053596     -1.960975      0.292114
  C      -6.871228     -2.477099     -0.217503
  C      -5.830245     -2.812597      0.667111
  N      -5.898036     -2.665491      1.992161
  C      -7.057108     -2.164266      2.494813
  H      -4.610549      5.469316      3.758409
  H      -5.247865      3.890166      3.254848
  H      -6.198162      5.483930      5.716353
  H      -7.007631      5.422981      4.148690
  H      -8.069649      3.887644      5.818741
  H      -6.529350      2.979151      5.959093
  H     -11.770632      3.591291      4.462192
  H     -11.495547      1.750103      0.202288
  H      -9.521325      0.930165     -1.165212
  H      -7.256625      0.974898     -0.167130
  H      -1.177903     -0.911203      4.733286
  H      -2.923904     -0.920104      4.511354
  H      -0.795880     -0.289627      2.450631
  H      -2.333641      0.600465      2.364280
  H      -3.620824     -1.540458      2.425872
  H      -2.107606     -2.460999      2.561617
  H      -5.133354      1.684992     -0.002661
  H      -4.433018      0.148582     -4.327980
  H      -3.069174     -1.786997     -5.244570
  H      -1.799915     -3.225831     -3.656888
  H      -6.351748      0.180775      5.482687
  H      -6.774917      0.351863      7.193630
  H      -4.484412     -1.484219      6.339495
  H      -5.423260     -1.547405      7.840478
  H      -7.472666     -2.192686      6.378787
  H      -6.142165     -3.394643      6.477833
  H     -10.229499     -0.709464      3.994953
  H      -8.895840     -1.689346     -0.343531
  H      -6.734699     -2.623214     -1.290562
  H      -4.894975     -3.222051      0.273601
  N      -4.779971      1.305240      3.776307
  N      -5.445601      0.845664      2.777922
  H      -4.887497      0.349939      2.045096
  H      -6.350251      1.317905      2.465112
99
Coordinates from ORCA-job orca E -6533.133655811224
  N      -4.058773      3.851200      4.973849
  Mo     -3.838028      1.884438      5.169372
  N      -4.866307      1.064913      6.634155
  C      -4.361405      1.207752      7.998160
  C      -3.571884      2.503312      8.126509
  N      -2.648487      2.646852      6.972007
  C      -2.320279      4.062340      6.672958
  C      -3.510224      4.728438      6.007042
  C      -1.427248      1.810843      7.101346
  C      -0.950872      1.428008      5.702664
  N      -2.103261      0.962460      4.938350
  H      -3.186469      5.686372      5.559502
  H      -4.276431      4.987687      6.763543
  H      -1.470626      4.056392      5.976606
  H      -2.012121      4.597578      7.588462
  H      -0.186985      0.636021      5.778770
  H      -0.460524      2.289369      5.211439
  H      -1.707408      0.896021      7.640887
  H      -0.655481      2.340215      7.687754
  H      -5.202268      1.232840      8.716309
  H      -3.734211      0.340894      8.284620
  H      -4.269339      3.351084      8.091160
  H      -3.017949      2.552150      9.080331
  C      -5.054490      4.523537      4.136760
  C      -6.383748      4.833933      4.848428
  C      -7.143856      3.601787      5.311594
  O      -7.458842      2.775388      4.164509
  C      -8.720547      2.784188      3.686254
  N      -9.723217      3.278652      4.400654
  C     -10.953368      3.212735      3.844071
  N     -11.283461      2.734063      2.656204
  C     -10.247196      2.255844      1.897141
  C     -10.474201      1.771097      0.589738
  C      -9.390696      1.316547     -0.150342
  C      -8.109203      1.335233      0.414263
  N      -7.849232      1.782571      1.650413
  C      -8.906265      2.241823      2.380348
  C      -2.009800     -0.342593      4.278102
  C      -1.857263     -0.305547      2.746229
  C      -2.550035     -1.534087      2.166362
  O      -2.410264     -1.686432      0.733687
  C      -3.154334     -0.908349     -0.063695
  N      -3.897006      0.080799      0.433477
  C      -4.563184      0.857596     -0.454947
  N      -4.599907      0.744643     -1.767897
  C      -3.872476     -0.297405     -2.293184
  C      -3.857736     -0.528982     -3.683923
  C      -3.107656     -1.591048     -4.174956
  C      -2.388572     -2.397358     -3.275299
  N      -2.370365     -2.215183     -1.953561
  C      -3.103919     -1.177650     -1.471191
  C      -5.947566      0.097515      6.494417
  C      -5.491817     -1.347739      6.754799
  C      -6.415536     -2.385238      6.141441
  O      -6.235338     -2.406729      4.701715
  C      -7.239670     -1.994259      3.906542
  N      -8.344464     -1.472954      4.417136
  C      -9.326708     -1.139646      3.544512
  N      -9.325355     -1.282670      2.232114
  C      -8.173896     -1.789858      1.690846
  C      -8.052256     -1.958138      0.290434
  C      -6.870797     -2.476575     -0.219053
  C      -5.830336     -2.814505      0.665566
  N      -5.897750     -2.667530      1.990528
  C      -7.055796     -2.164182      2.493042
  H      -4.623808      5.474686      3.769450
  H      -5.254212      3.894640      3.259700
  H      -6.209372      5.476716      5.726630
  H      -7.021045      5.413184      4.160895
  H      -8.070331      3.870700      5.832873
  H      -6.525001      2.970052      5.964177
  H     -11.767797      3.608169      4.459662
  H     -11.491847      1.769428      0.199325
  H      -9.519626      0.938814     -1.165276
  H      -7.256286      0.971556     -0.162138
  H      -1.175599     -0.907627      4.729547
  H      -2.921983     -0.917563      4.510889
  H      -0.798464     -0.281845      2.446656
  H      -2.338513      0.603620      2.363195
  H      -3.620087     -1.540578      2.424327
  H      -2.104289     -2.457636      2.561789
  H      -5.134495      1.680513     -0.012071
  H      -4.435562      0.130337     -4.333253
  H      -3.069157     -1.806626     -5.243778
  H      -1.795961     -3.237401     -3.651749
  H      -6.348611      0.180014      5.476364
  H      -6.774143      0.350660      7.187866
  H      -4.482274     -1.486309      6.333772
  H      -5.418421     -1.546558      7.836346
  H      -7.470260     -2.192450      6.377113
  H      -6.141230     -3.395286      6.476729
  H     -10.225208     -0.705448      3.994241
  H      -8.894003     -1.684901     -0.345634
  H      -6.734732     -2.622793     -1.291979
  H      -4.896011     -3.226394      0.272009
  N      -4.776997      1.309612      3.772645
  N      -5.442604      0.851928      2.773517
  H      -4.885939      0.357824      2.039078
  H      -6.349617      1.322839      2.463822
99
Coordinates from ORCA-job orca E -6533.133689486214
  N      -4.059507      3.852204      4.976452
  Mo     -3.835484      1.885336      5.169543
  N      -4.864086      1.064234      6.633043
  C      -4.359060      1.204992      7.997068
  C      -3.572378      2.501736      8.128124
  N      -2.649110      2.648105      6.974133
  C      -2.322638      4.064105      6.676773
  C      -3.513596      4.729018      6.010806
  C      -1.426920      1.813614      7.103791
  C      -0.949653      1.431355      5.704838
  N      -2.100578      0.964383      4.940224
  H      -3.190659      5.688193      5.564757
  H      -4.281365      4.986944      6.766703
  H      -1.473034      4.059969      5.979921
  H      -2.015032      4.598652      7.593033
  H      -0.185102      0.640762      5.780943
  H      -0.460569      2.293030      5.214086
  H      -1.706612      0.898477      7.643811
  H      -0.655341      2.344270      7.690446
  H      -5.199041      1.226043      8.715603
  H      -3.729598      0.339460      8.280480
  H      -4.271284      3.348014      8.094129
  H      -3.018772      2.550136      9.082101
  C      -5.059342      4.522113      4.142218
  C      -6.389825      4.825064      4.854924
  C      -7.143604      3.588589      5.315942
  O      -7.460344      2.764996      4.166872
  C      -8.720656      2.782951      3.684696
  N      -9.722254      3.283713      4.396442
  C     -10.951046      3.226494      3.836080
  N     -11.280592      2.750846      2.646648
  C     -10.245246      2.266454      1.890080
  C     -10.470415      1.785037      0.580930
  C      -9.387157      1.325146     -0.156584
  C      -8.107267      1.335335      0.412014
  N      -7.849274      1.778670      1.650373
  C      -8.905832      2.243418      2.377126
  C      -2.007021     -0.340257      4.278165
  C      -1.858281     -0.297949      2.746720
  C      -2.545177     -1.528839      2.165133
  O      -2.403953     -1.679111      0.732207
  C      -3.153704     -0.906414     -0.065165
  N      -3.898390      0.082220      0.431041
  C      -4.570556      0.853254     -0.458154
  N      -4.610916      0.735703     -1.770577
  C      -3.880897     -0.305258     -2.294710
  C      -3.869632     -0.541550     -3.684705
  C      -3.117818     -1.602590     -4.174702
  C      -2.393421     -2.403128     -3.274614
  N      -2.371400     -2.216284     -1.953337
  C      -3.106781     -1.179899     -1.472036
  C      -5.944508      0.096119      6.491557
  C      -5.489320     -1.349142      6.753108
  C      -6.414787     -2.386815      6.142822
  O      -6.235912     -2.411631      4.703110
  C      -7.239030     -1.997469      3.907698
  N      -8.343469     -1.474929      4.417407
  C      -9.324705     -1.139892      3.544163
  N      -9.322705     -1.281839      2.231738
  C      -8.170995     -1.790076      1.691516
  C      -8.048310     -1.957392      0.291279
  C      -6.865925     -2.474740     -0.217075
  C      -5.826316     -2.813637      0.668278
  N      -5.895204     -2.668890      1.993155
  C      -7.053716     -2.166067      2.494491
  H      -4.634036      5.476276      3.777976
  H      -5.255917      3.895132      3.263549
  H      -6.218280      5.467166      5.734128
  H      -7.030088      5.402356      4.168939
  H      -8.068792      3.852023      5.842670
  H      -6.518706      2.956753      5.962579
  H     -11.764617      3.626643      4.449768
  H     -11.486522      1.790520      0.186859
  H      -9.515332      0.951170     -1.173134
  H      -7.254580      0.967501     -0.162043
  H      -1.170960     -0.904858      4.725749
  H      -2.917665     -0.917408      4.512769
  H      -0.800357     -0.266617      2.445488
  H      -2.345104      0.609468      2.367344
  H      -3.615266     -1.539802      2.421331
  H      -2.095110     -2.450400      2.560201
  H      -5.143819      1.675505     -0.016546
  H      -4.451364      0.113454     -4.334613
  H      -3.082297     -1.821989     -5.242966
  H      -1.799432     -3.242225     -3.650223
  H      -6.344251      0.178608      5.472548
  H      -6.772582      0.349214      7.183873
  H      -4.480558     -1.489708      6.331152
  H      -5.414322     -1.545638      7.835041
  H      -7.468913     -2.192694      6.379166
  H      -6.141490     -3.396443      6.479931
  H     -10.223166     -0.704755      3.993361
  H      -8.889530     -1.683948     -0.346103
  H      -6.728249     -2.618834     -1.289863
  H      -4.891416     -3.223779      0.274931
  N      -4.773029      1.310504      3.771922
  N      -5.438172      0.853944      2.771988
  H      -4.882881      0.360430      2.035572
  H      -6.346260      1.323431      2.465396
99
Coordinates from ORCA-job orca E -6533.133725174968
  N      -4.063812      3.853631      4.983442
  Mo     -3.831326      1.886362      5.169835
  N      -4.856179      1.059782      6.632013
  C      -4.350258      1.198308      7.995995
  C      -3.568990      2.498304      8.129651
  N      -2.647478      2.650913      6.975239
  C      -2.326497      4.068607      6.681060
  C      -3.520901      4.730512      6.017913
  C      -1.421979      1.820824      7.102503
  C      -0.945454      1.440571      5.702986
  N      -2.095414      0.970368      4.939047
  H      -3.201845      5.691608      5.573513
  H      -4.288923      4.985534      6.774135
  H      -1.478006      4.069310      5.982510
  H      -2.019437      4.601805      7.598117
  H      -0.177805      0.652483      5.778580
  H      -0.459681      2.304439      5.212081
  H      -1.696867      0.905487      7.643282
  H      -0.651380      2.354475      7.686681
  H      -5.189560      1.212763      8.715777
  H      -3.715754      0.334699      8.275624
  H      -4.271495      3.341890      8.098321
  H      -3.014582      2.546514      9.083066
  C      -5.070341      4.519588      4.153740
  C      -6.402971      4.811251      4.867858
  C      -7.149251      3.568187      5.324775
  O      -7.466459      2.747988      4.174281
  C      -8.722931      2.781977      3.681911
  N      -9.724929      3.292761      4.386126
  C     -10.950190      3.249852      3.816014
  N     -11.275454      2.780649      2.623514
  C     -10.239813      2.285700      1.874830
  C     -10.459665      1.808162      0.563152
  C      -9.375890      1.335859     -0.166371
  C      -8.100244      1.331505      0.412059
  N      -7.847312      1.771327      1.653532
  C      -8.904107      2.247174      2.371950
  C      -2.001869     -0.335655      4.278816
  C      -1.861836     -0.289730      2.747421
  C      -2.545928     -1.522891      2.166397
  O      -2.401741     -1.674190      0.733675
  C      -3.154970     -0.907229     -0.065506
  N      -3.899461      0.082568      0.428102
  C      -4.576038      0.847346     -0.462675
  N      -4.620920      0.723187     -1.774374
  C      -3.889596     -0.317742     -2.296029
  C      -3.881055     -0.559773     -3.685198
  C      -3.126023     -1.619424     -4.172669
  C      -2.396494     -2.413325     -3.270722
  N      -2.372509     -2.221429     -1.950047
  C      -3.110613     -1.186093     -1.471353
  C      -5.936052      0.091756      6.489587
  C      -5.481986     -1.353759      6.750468
  C      -6.410217     -2.390860      6.142698
  O      -6.234900     -2.415943      4.702730
  C      -7.239354     -2.000766      3.909281
  N      -8.343622     -1.480445      4.421423
  C      -9.326173     -1.144449      3.550230
  N      -9.326001     -1.283822      2.237456
  C      -8.174259     -1.789901      1.694657
  C      -8.053615     -1.954779      0.293929
  C      -6.869619     -2.466780     -0.216947
  C      -5.827662     -2.803938      0.665945
  N      -5.895520     -2.663354      1.991331
  C      -7.055048     -2.165192      2.495248
  H      -4.652725      5.478992      3.793920
  H      -5.262281      3.895041      3.272156
  H      -6.235448      5.451811      5.748968
  H      -7.046987      5.386880      4.183614
  H      -8.073487      3.823277      5.857145
  H      -6.516913      2.936599      5.964101
  H     -11.764112      3.658454      4.423478
  H     -11.472419      1.825696      0.160355
  H      -9.500881      0.964972     -1.185192
  H      -7.247082      0.953936     -0.155047
  H      -1.161256     -0.896626      4.721150
  H      -2.908831     -0.915905      4.519930
  H      -0.805389     -0.252788      2.441846
  H      -2.353541      0.617141      2.372609
  H      -3.617208     -1.535989      2.419522
  H      -2.093107     -2.442787      2.563461
  H      -5.149147      1.670089     -0.023197
  H      -4.466247      0.090414     -4.336604
  H      -3.091904     -1.842819     -5.240176
  H      -1.799506     -3.251098     -3.644237
  H      -6.334961      0.175216      5.471025
  H      -6.763850      0.344406      7.181465
  H      -4.473702     -1.496156      6.326872
  H      -5.405079     -1.549224      7.832246
  H      -7.464183     -2.196737      6.382131
  H      -6.136247     -3.400969      6.479027
  H     -10.224388     -0.710559      4.001567
  H      -8.896911     -1.684251     -0.342044
  H      -6.731981     -2.607585     -1.290156
  H      -4.891622     -3.209505      0.269933
  N      -4.768212      1.310762      3.772197
  N      -5.431741      0.856203      2.770848
  H      -4.877501      0.363997      2.032690
  H      -6.343077      1.320907      2.467599
99
Coordinates from ORCA-job orca E -6533.133745713685
  N      -4.068675      3.853398      4.988159
  Mo     -3.828078      1.886579      5.170027
  N      -4.849436      1.054612      6.630892
  C      -4.343193      1.192736      7.995064
  C      -3.567382      2.495711      8.130582
  N      -2.646456      2.653625      6.976144
  C      -2.330772      4.072799      6.684779
  C      -3.527840      4.731361      6.023059
  C      -1.417699      1.827969      7.101618
  C      -0.941046      1.451288      5.700774
  N      -2.089495      0.977053      4.937389
  H      -3.211751      5.693821      5.579447
  H      -4.296425      4.983628      6.780000
  H      -1.482595      4.077967      5.985781
  H      -2.025178      4.605175      7.602916
  H      -0.170259      0.666701      5.774869
  H      -0.459614      2.317419      5.210510
  H      -1.689060      0.910965      7.641874
  H      -0.648242      2.364032      7.685938
  H      -5.182007      1.201918      8.715493
  H      -3.704360      0.331666      8.272439
  H      -4.273364      3.336435      8.100285
  H      -3.012890      2.544755      9.084167
  C      -5.079116      4.516224      4.160918
  C      -6.412325      4.800739      4.876941
  C      -7.152932      3.553259      5.331475
  O      -7.470391      2.734714      4.179574
  C      -8.723556      2.780793      3.679765
  N      -9.724342      3.301386      4.378786
  C     -10.946855      3.269202      3.801887
  N     -11.270754      2.800632      2.607494
  C     -10.235646      2.296125      1.864197
  C     -10.452188      1.821266      0.550951
  C      -9.367697      1.342442     -0.173068
  C      -8.095194      1.328427      0.411980
  N      -7.845566      1.764860      1.655008
  C      -8.902452      2.247628      2.368395
  C      -1.993192     -0.329863      4.279263
  C      -1.860234     -0.284280      2.747090
  C      -2.545273     -1.517768      2.168887
  O      -2.400935     -1.672246      0.736354
  C      -3.155293     -0.908442     -0.064675
  N      -3.899171      0.082640      0.426952
  C      -4.578357      0.843795     -0.464705
  N      -4.626430      0.714976     -1.775936
  C      -3.894563     -0.326414     -2.295720
  C      -3.887588     -0.572055     -3.684261
  C      -3.130378     -1.631147     -4.169937
  C      -2.398213     -2.421476     -3.266931
  N      -2.373412     -2.226629     -1.946735
  C      -3.112846     -1.191246     -1.469825
  C      -5.929446      0.086154      6.487323
  C      -5.476558     -1.359632      6.747112
  C      -6.407626     -2.394126      6.140693
  O      -6.235468     -2.417812      4.700416
  C      -7.241374     -2.001431      3.909416
  N      -8.345342     -1.483222      4.424200
  C      -9.329204     -1.146011      3.555139
  N      -9.331008     -1.283067      2.242135
  C      -8.179944     -1.787940      1.696710
  C      -8.061956     -1.951159      0.295711
  C      -6.878070     -2.461222     -0.217863
  C      -5.833831     -2.798327      0.662550
  N      -5.899487     -2.659674      1.988166
  C      -7.058980     -2.163400      2.494825
  H      -4.666765      5.478047      3.802500
  H      -5.268551      3.892322      3.278589
  H      -6.246678      5.440327      5.759387
  H      -7.059094      5.375370      4.194309
  H      -8.076400      3.803234      5.867527
  H      -6.515928      2.921740      5.966639
  H     -11.760430      3.685323      4.405137
  H     -11.462234      1.848221      0.142185
  H      -9.489226      0.975951     -1.192939
  H      -7.241517      0.946635     -0.150899
  H      -1.147761     -0.887037      4.717993
  H      -2.896825     -0.912430      4.526625
  H      -0.804513     -0.246109      2.437898
  H      -2.354173      0.621697      2.373537
  H      -3.616311     -1.529687      2.421577
  H      -2.093299     -2.436738      2.568415
  H      -5.151546      1.667197     -0.026270
  H      -4.475269      0.075249     -4.336627
  H      -3.096841     -1.856796     -5.236903
  H      -1.799671     -3.258844     -3.639148
  H      -6.327439      0.170183      5.468563
  H      -6.757951      0.338247      7.178953
  H      -4.469229     -1.503289      6.321922
  H      -5.398766     -1.555769      7.828640
  H      -7.460085     -2.198471      6.383032
  H      -6.134953     -3.404553      6.475502
  H     -10.226896     -0.713657      4.008476
  H      -8.907128     -1.681091     -0.338165
  H      -6.741867     -2.600506     -1.291345
  H      -4.897700     -3.202067      0.264389
  N      -4.764593      1.309532      3.772626
  N      -5.426712      0.855675      2.770245
  H      -4.871523      0.364196      2.032121
  H      -6.341294      1.315964      2.468465
99
Coordinates from ORCA-job orca E -6533.133766567877
  N      -4.073188      3.852315      4.991735
  Mo     -3.826821      1.885239      5.171376
  N      -4.846472      1.050158      6.631203
  C      -4.340633      1.188684      7.995635
  C      -3.568153      2.493838      8.131481
  N      -2.646722      2.654667      6.977510
  C      -2.334218      4.074907      6.687437
  C      -3.532471      4.731758      6.025893
  C      -1.415488      1.832208      7.102265
  C      -0.938485      1.457146      5.701226
  N      -2.086032      0.980496      4.937745
  H      -3.217414      5.694440      5.581600
  H      -4.301063      4.983315      6.783142
  H      -1.485617      4.082442      5.988723
  H      -2.029854      4.607059      7.606085
  H      -0.166112      0.674122      5.775415
  H      -0.458995      2.324470      5.211228
  H      -1.683661      0.914386      7.642548
  H      -0.647384      2.370501      7.685978
  H      -5.180099      1.195241      8.716146
  H      -3.699137      0.328777      8.273013
  H      -4.276402      3.332976      8.100467
  H      -3.014103      2.544050      9.085337
  C      -5.085620      4.513303      4.165326
  C      -6.418957      4.794008      4.882603
  C      -7.156843      3.544308      5.336247
  O      -7.475019      2.725716      4.184447
  C      -8.725976      2.781105      3.679279
  N      -9.725674      3.308358      4.375100
  C     -10.945893      3.285920      3.792851
  N     -11.268621      2.820391      2.596548
  C     -10.234233      2.308827      1.857147
  C     -10.449609      1.836400      0.542513
  C      -9.365280      1.352275     -0.177764
  C      -8.095109      1.329882      0.412181
  N      -7.846974      1.762404      1.656309
  C      -8.903351      2.250617      2.366778
  C      -1.986283     -0.326151      4.279422
  C      -1.857533     -0.279194      2.747075
  C      -2.539739     -1.513931      2.168928
  O      -2.394920     -1.668376      0.736503
  C      -3.152251     -0.907953     -0.064455
  N      -3.896371      0.083445      0.426526
  C      -4.580699      0.840435     -0.464589
  N      -4.633966      0.706883     -1.775000
  C      -3.901757     -0.334450     -2.294037
  C      -3.900428     -0.584620     -3.681767
  C      -3.143599     -1.643758     -4.167135
  C      -2.406201     -2.429818     -3.264760
  N      -2.375790     -2.230769     -1.945260
  C      -3.114547     -1.194912     -1.468681
  C      -5.926486      0.081792      6.487518
  C      -5.473662     -1.363981      6.746742
  C      -6.404878     -2.397821      6.138505
  O      -6.232109     -2.418632      4.698482
  C      -7.238294     -2.002373      3.907535
  N      -8.343282     -1.485715      4.422392
  C      -9.326407     -1.146960      3.552999
  N      -9.327233     -1.282517      2.239909
  C      -8.175930     -1.787550      1.694606
  C      -8.057649     -1.950414      0.293711
  C      -6.873459     -2.459433     -0.220046
  C      -5.828975     -2.796153      0.660192
  N      -5.894876     -2.657988      1.985866
  C      -7.055045     -2.162846      2.492799
  H      -4.675971      5.476574      3.807086
  H      -5.273973      3.889203      3.282807
  H      -6.253687      5.432994      5.765673
  H      -7.067217      5.368653      4.201009
  H      -8.079821      3.792339      5.874137
  H      -6.517672      2.912828      5.969610
  H     -11.759114      3.707435      4.392972
  H     -11.458088      1.871017      0.129336
  H      -9.484836      0.988223     -1.198701
  H      -7.241718      0.945181     -0.148666
  H      -1.137603     -0.879617      4.715600
  H      -2.887114     -0.911794      4.529538
  H      -0.802201     -0.236953      2.435483
  H      -2.355685      0.625658      2.375732
  H      -3.610455     -1.527955      2.421889
  H      -2.086765     -2.431874      2.568774
  H      -5.153063      1.664714     -0.026124
  H      -4.492376      0.059194     -4.333713
  H      -3.114494     -1.872574     -5.233616
  H      -1.808239     -3.267327     -3.636949
  H      -6.323807      0.166062      5.469591
  H      -6.754364      0.333222      7.178751
  H      -4.465828     -1.506924      6.322002
  H      -5.396939     -1.561634      7.827986
  H      -7.457823     -2.202532      6.381087
  H      -6.131909     -3.408987      6.471596
  H     -10.224487     -0.714707      4.005884
  H      -8.903114     -1.680246     -0.339416
  H      -6.736760     -2.598004     -1.293624
  H      -4.892455     -3.198888      0.262294
  N      -4.764095      1.307903      3.774616
  N      -5.425929      0.855596      2.771569
  H      -4.869474      0.364494      2.034132
  H      -6.343059      1.312131      2.470741
99
Coordinates from ORCA-job orca E -6533.133787301098
  N      -4.081150      3.850170      4.997121
  Mo     -3.825476      1.883834      5.173206
  N      -4.841301      1.043293      6.631595
  C      -4.335679      1.182818      7.996132
  C      -3.568608      2.491254      8.132505
  N      -2.647245      2.656699      6.979040
  C      -2.340110      4.078403      6.690288
  C      -3.540239      4.732087      6.029379
  C      -1.412408      1.839519      7.102759
  C      -0.934309      1.467440      5.701276
  N      -2.080505      0.987199      4.937093
  H      -3.227703      5.694325      5.583267
  H      -4.308174      4.982685      6.787421
  H      -1.491215      4.089381      5.992159
  H      -2.037782      4.610857      7.609415
  H      -0.159314      0.686925      5.775316
  H      -0.457578      2.336870      5.211882
  H      -1.675834      0.920218      7.642551
  H      -0.646727      2.380986      7.686403
  H      -5.175286      1.185675      8.716754
  H      -3.690640      0.325236      8.273151
  H      -4.280224      3.327281      8.100991
  H      -3.014985      2.543599      9.086440
  C      -5.095717      4.508777      4.171459
  C      -6.428780      4.785447      4.890622
  C      -7.162780      3.533789      5.344437
  O      -7.480714      2.714206      4.193390
  C      -8.728044      2.780991      3.680560
  N      -9.727072      3.315370      4.371970
  C     -10.944182      3.304418      3.782742
  N     -11.264359      2.843454      2.584065
  C     -10.230538      2.323304      1.850113
  C     -10.444265      1.853753      0.534197
  C      -9.360683      1.361237     -0.181243
  C      -8.093566      1.328865      0.414631
  N      -7.847056      1.758273      1.659796
  C      -8.902853      2.253473      2.366972
  C      -1.975051     -0.318934      4.278807
  C      -1.851879     -0.272564      2.745842
  C      -2.531817     -1.509465      2.170216
  O      -2.388573     -1.666082      0.738006
  C      -3.149043     -0.909231     -0.063636
  N      -3.891349      0.083941      0.425955
  C      -4.579574      0.836861     -0.465313
  N      -4.638844      0.696792     -1.774877
  C      -3.908250     -0.346293     -2.292238
  C      -3.912306     -0.602562     -3.678912
  C      -3.156240     -1.663049     -4.162741
  C      -2.414360     -2.444725     -3.260194
  N      -2.378863     -2.240043     -1.941805
  C      -3.116561     -1.202368     -1.466716
  C      -5.921564      0.074840      6.487288
  C      -5.469365     -1.371002      6.744899
  C      -6.401156     -2.402050      6.133049
  O      -6.228363     -2.417837      4.692867
  C      -7.236143     -2.001836      3.903421
  N      -8.341992     -1.488918      4.420469
  C      -9.325445     -1.148059      3.552453
  N      -9.326273     -1.279319      2.238849
  C      -8.175485     -1.782692      1.691419
  C      -8.058337     -1.942594      0.289941
  C      -6.874921     -2.450694     -0.226213
  C      -5.829321     -2.788713      0.652507
  N      -5.893767     -2.652299      1.978625
  C      -7.053843     -2.158860      2.488021
  H      -4.689077      5.472969      3.811991
  H      -5.283559      3.883638      3.289466
  H      -6.263666      5.424072      5.773853
  H      -7.079203      5.359359      4.210625
  H      -8.085415      3.780033      5.883649
  H      -6.521741      2.903415      5.976675
  H     -11.757193      3.732807      4.378303
  H     -11.450272      1.898270      0.115622
  H      -9.477914      0.998611     -1.203016
  H      -7.240719      0.939613     -0.143857
  H      -1.121711     -0.867485      4.712683
  H      -2.872068     -0.908863      4.531913
  H      -0.797808     -0.227155      2.431261
  H      -2.354570      0.630067      2.375808
  H      -3.602200     -1.525853      2.425212
  H      -2.077064     -2.426313      2.571317
  H      -5.149761      1.663492     -0.027756
  H      -4.507299      0.037843     -4.330973
  H      -3.130684     -1.895716     -5.228340
  H      -1.816898     -3.283380     -3.631329
  H      -6.317483      0.159251      5.469106
  H      -6.750214      0.325664      7.177810
  H      -4.461288     -1.512962      6.320797
  H      -5.394829     -1.571919      7.825615
  H      -7.453628     -2.206063      6.376085
  H      -6.129305     -3.414239      6.463240
  H     -10.223605     -0.717815      4.006745
  H      -8.904677     -1.670565     -0.340803
  H      -6.739294     -2.587535     -1.300373
  H      -4.893071     -3.191165      0.253589
  N      -4.763794      1.306054      3.777052
  N      -5.424504      0.854371      2.773347
  H      -4.866634      0.363366      2.037424
  H      -6.345249      1.306134      2.473229
99
Coordinates from ORCA-job orca E -6533.133798877633
  N      -4.086311      3.848174      4.998230
  Mo     -3.826389      1.882032      5.173605
  N      -4.841902      1.040340      6.631632
  C      -4.336875      1.180878      7.995987
  C      -3.571814      2.490611      8.131966
  N      -2.649456      2.656635      6.979272
  C      -2.343459      4.078782      6.689777
  C      -3.543645      4.731707      6.028593
  C      -1.413408      1.841016      7.103958
  C      -0.933897      1.469147      5.702996
  N      -2.079171      0.988043      4.938071
  H      -3.231201      5.693131      5.580263
  H      -4.310649      4.983302      6.787050
  H      -1.493994      4.089970      5.992387
  H      -2.041950      4.612016      7.608674
  H      -0.158664      0.688712      5.777711
  H      -0.457337      2.338833      5.213899
  H      -1.675500      0.921074      7.644090
  H      -0.648873      2.383985      7.687803
  H      -5.176441      1.182980      8.716250
  H      -3.691123      0.324242      8.273365
  H      -4.284678      3.325693      8.098660
  H      -3.019267      2.544721      9.086347
  C      -5.102030      4.505858      4.172923
  C      -6.433889      4.782008      4.894123
  C      -7.165569      3.529686      5.350112
  O      -7.483961      2.707543      4.200706
  C      -8.729184      2.781868      3.683206
  N      -9.726826      3.322901      4.371583
  C     -10.941908      3.320446      3.778221
  N     -11.261254      2.861421      2.578376
  C     -10.228631      2.333553      1.848067
  C     -10.441713      1.865673      0.531760
  C      -9.359331      1.366090     -0.180629
  C      -8.094091      1.326390      0.418696
  N      -7.848248      1.754083      1.664403
  C      -8.903170      2.255036      2.369437
  C      -1.970261     -0.316977      4.277315
  C      -1.848735     -0.268300      2.743950
  C      -2.522936     -1.508042      2.167439
  O      -2.380908     -1.662791      0.735066
  C      -3.144582     -0.907752     -0.064845
  N      -3.886366      0.085182      0.425688
  C      -4.578023      0.835903     -0.464480
  N      -4.642176      0.692859     -1.773359
  C      -3.912603     -0.350474     -2.291231
  C      -3.922908     -0.610553     -3.677248
  C      -3.167949     -1.671546     -4.161583
  C      -2.420750     -2.449986     -3.260293
  N      -2.379600     -2.241756     -1.942777
  C      -3.116369     -1.203605     -1.467201
  C      -5.921721      0.071991      6.487546
  C      -5.469043     -1.373716      6.746787
  C      -6.399258     -2.405130      6.131564
  O      -6.224627     -2.417076      4.691670
  C      -7.232343     -2.002056      3.901932
  N      -8.339392     -1.490897      4.418332
  C      -9.321965     -1.149283      3.549489
  N      -9.321122     -1.278897      2.235832
  C      -8.169766     -1.781955      1.689437
  C      -8.051385     -1.941700      0.288110
  C      -6.868005     -2.450411     -0.226994
  C      -5.822868     -2.788082      0.652640
  N      -5.887924     -2.650840      1.978473
  C      -7.048612     -2.157901      2.486886
  H      -4.696224      5.469832      3.811451
  H      -5.291384      3.879490      3.291909
  H      -6.267335      5.421079      5.776953
  H      -7.086298      5.355440      4.215332
  H      -8.087775      3.776010      5.889995
  H      -6.523543      2.900606      5.982604
  H     -11.753923      3.754726      4.370759
  H     -11.445821      1.917792      0.110011
  H      -9.475562      1.004008     -1.202527
  H      -7.242271      0.932851     -0.138601
  H      -1.115111     -0.863397      4.710157
  H      -2.865356     -0.910822      4.529066
  H      -0.795606     -0.216912      2.427449
  H      -2.357260      0.632202      2.376409
  H      -3.593170     -1.529754      2.424325
  H      -2.064004     -2.423723      2.566728
  H      -5.146903      1.663263     -0.026740
  H      -4.522569      0.027028     -4.328545
  H      -3.147398     -1.907082     -5.226819
  H      -1.824496     -3.289290     -3.631884
  H      -6.316292      0.155269      5.468375
  H      -6.751214      0.323528      7.176608
  H      -4.459928     -1.514797      6.325064
  H      -5.397034     -1.575186      7.827793
  H      -7.452610     -2.210123      6.373426
  H      -6.126869     -3.418136      6.459914
  H     -10.220888     -0.719833      4.003033
  H      -8.897338     -1.668760     -0.342757
  H      -6.732020     -2.587865     -1.300792
  H      -4.886529     -3.191590      0.255107
  N      -4.765181      1.305207      3.777238
  N      -5.425952      0.854443      2.773239
  H      -4.868243      0.361829      2.038769
  H      -6.348074      1.304235      2.473051
99
Coordinates from ORCA-job orca E -6533.133806339340
  N      -4.089784      3.845905      5.000245
  Mo     -3.825822      1.880959      5.175508
  N      -4.840653      1.037525      6.633122
  C      -4.336305      1.178960      7.997811
  C      -3.573290      2.489790      8.133931
  N      -2.650824      2.657017      6.981620
  C      -2.346803      4.079468      6.691900
  C      -3.547457      4.730614      6.030096
  C      -1.413647      1.843667      7.107066
  C      -0.932297      1.472752      5.706223
  N      -2.076310      0.990252      4.939957
  H      -3.235882      5.691873      5.580633
  H      -4.314589      4.981991      6.788802
  H      -1.496800      4.091696      5.995434
  H      -2.046752      4.613320      7.611025
  H      -0.156144      0.693383      5.781216
  H      -0.456336      2.343166      5.217671
  H      -1.674327      0.923333      7.647182
  H      -0.650505      2.388113      7.691539
  H      -5.176152      1.180458      8.717812
  H      -3.689725      0.323237      8.275739
  H      -4.287487      3.323460      8.099894
  H      -3.021552      2.545341      9.088731
  C      -5.105729      4.502056      4.174212
  C      -6.437532      4.777616      4.895695
  C      -7.167538      3.525020      5.352354
  O      -7.485671      2.702428      4.203201
  C      -8.729231      2.781348      3.682683
  N      -9.726574      3.324836      4.369410
  C     -10.940134      3.328132      3.773665
  N     -11.258026      2.872535      2.572900
  C     -10.225893      2.341256      1.844496
  C     -10.438808      1.874029      0.527876
  C      -9.357418      1.370448     -0.183234
  C      -8.092887      1.327414      0.417739
  N      -7.847531      1.753690      1.664173
  C      -8.901995      2.257101      2.368234
  C      -1.963839     -0.313190      4.276710
  C      -1.843981     -0.262598      2.743199
  C      -2.514205     -1.504740      2.167201
  O      -2.374763     -1.659355      0.734540
  C      -3.142953     -0.906890     -0.064569
  N      -3.884718      0.086146      0.426503
  C      -4.580151      0.834313     -0.463375
  N      -4.647728      0.688591     -1.771807
  C      -3.919125     -0.355585     -2.289887
  C      -3.934105     -0.619280     -3.675134
  C      -3.181269     -1.681698     -4.159707
  C      -2.431008     -2.457627     -3.259305
  N      -2.384469     -2.245402     -1.942507
  C      -3.119624     -1.206242     -1.466600
  C      -5.920274      0.069114      6.488592
  C      -5.467984     -1.376868      6.746828
  C      -6.397977     -2.406939      6.129499
  O      -6.222405     -2.417354      4.689393
  C      -7.229867     -2.002091      3.899448
  N      -8.337033     -1.490966      4.415896
  C      -9.319153     -1.148174      3.546937
  N      -9.317537     -1.275927      2.233051
  C      -8.166388     -1.779461      1.686657
  C      -8.047346     -1.937971      0.284987
  C      -6.864371     -2.447025     -0.230264
  C      -5.820087     -2.786179      0.649733
  N      -5.885530     -2.650268      1.975921
  C      -7.045874     -2.157084      2.484292
  H      -4.700444      5.465452      3.811171
  H      -5.295184      3.874522      3.294148
  H      -6.271210      5.416715      5.778319
  H      -7.090947      5.350041      4.217712
  H      -8.089647      3.770820      5.892581
  H      -6.525005      2.896761      5.984394
  H     -11.751532      3.765229      4.364690
  H     -11.442282      1.929272      0.104797
  H      -9.473936      1.007309     -1.205374
  H      -7.241892      0.931336     -0.139120
  H      -1.106699     -0.857623      4.708276
  H      -2.856782     -0.910904      4.527509
  H      -0.791907     -0.206467      2.424974
  H      -2.357086      0.635704      2.377158
  H      -3.583685     -1.530090      2.425847
  H      -2.051460     -2.418912      2.565574
  H      -5.148367      1.662277     -0.026023
  H      -4.535730      0.016526     -4.325622
  H      -3.164623     -1.920227     -5.224390
  H      -1.836431     -3.298026     -3.630990
  H      -6.314563      0.152875      5.469212
  H      -6.750247      0.320476      7.177393
  H      -4.458720     -1.517458      6.325618
  H      -5.397037     -1.579822      7.827723
  H      -7.451014     -2.211232      6.370393
  H      -6.126920     -3.420429      6.457197
  H     -10.218252     -0.718913      4.000819
  H      -8.892571     -1.662980     -0.346164
  H      -6.728137     -2.583122     -1.304458
  H      -4.884079     -3.189694      0.251939
  N      -4.763900      1.304283      3.778484
  N      -5.424481      0.854280      2.774142
  H      -4.867902      0.361093      2.039614
  H      -6.347337      1.303841      2.475476
99
Coordinates from ORCA-job orca E -6533.133812597074
  N      -4.090958      3.845111      5.001263
  Mo     -3.826420      1.880584      5.176607
  N      -4.840652      1.036923      6.634710
  C      -4.335878      1.178410      7.998926
  C      -3.573007      2.489385      8.134836
  N      -2.651272      2.656482      6.982233
  C      -2.347215      4.078928      6.691636
  C      -3.548051      4.730006      6.029884
  C      -1.414228      1.842993      7.107648
  C      -0.932864      1.472648      5.706876
  N      -2.076685      0.990259      4.940353
  H      -3.236968      5.690726      5.579383
  H      -4.314533      4.982293      6.788622
  H      -1.497138      4.090821      5.995246
  H      -2.047202      4.613208      7.610410
  H      -0.156412      0.693455      5.781435
  H      -0.457090      2.343608      5.218714
  H      -1.674915      0.922433      7.647707
  H      -0.650913      2.387335      7.692212
  H      -5.174854      1.179712      8.719108
  H      -3.689423      0.323019      8.276110
  H      -4.287321      3.322737      8.101174
  H      -3.021063      2.545248      9.089255
  C      -5.106983      4.500982      4.175209
  C      -6.438287      4.777704      4.896983
  C      -7.168686      3.525084      5.353320
  O      -7.487156      2.702866      4.203811
  C      -8.730119      2.783777      3.681868
  N      -9.727656      3.328320      4.367277
  C     -10.941083      3.332106      3.770608
  N     -11.258586      2.876193      2.569786
  C     -10.226224      2.344058      1.842472
  C     -10.438366      1.876204      0.526023
  C      -9.356787      1.371689     -0.184098
  C      -8.092656      1.327877      0.417681
  N      -7.848199      1.754476      1.664344
  C      -8.902595      2.259242      2.367202
  C      -1.963469     -0.312289      4.275928
  C      -1.845364     -0.260947      2.742533
  C      -2.514231     -1.504462      2.167330
  O      -2.376359     -1.659159      0.734461
  C      -3.145050     -0.906845     -0.063937
  N      -3.886308      0.086169      0.427690
  C      -4.582032      0.834189     -0.462141
  N      -4.650659      0.688261     -1.770452
  C      -3.922733     -0.356312     -2.288888
  C      -3.939543     -0.621061     -3.673769
  C      -3.187216     -1.683936     -4.158484
  C      -2.435316     -2.458898     -3.258331
  N      -2.387273     -2.245604     -1.941885
  C      -3.122430     -1.206509     -1.465819
  C      -5.919939      0.068040      6.490034
  C      -5.467513     -1.378179      6.747597
  C      -6.396735     -2.408078      6.128920
  O      -6.219926     -2.417732      4.688955
  C      -7.226465     -2.002043      3.898291
  N      -8.333501     -1.489935      4.413790
  C      -9.314755     -1.146615      3.544028
  N      -9.312287     -1.274181      2.230141
  C      -8.161114     -1.778670      1.684780
  C      -8.041121     -1.937676      0.283242
  C      -6.858114     -2.448114     -0.230738
  C      -5.814958     -2.788233      0.650309
  N      -5.881341     -2.651926      1.976303
  C      -7.041553     -2.157349      2.483356
  H      -4.701215      5.463720      3.811078
  H      -5.297416      3.872789      3.295863
  H      -6.271409      5.416361      5.779732
  H      -7.091970      5.350532      4.219538
  H      -8.090758      3.771007      5.893715
  H      -6.526022      2.896243      5.984848
  H     -11.752432      3.770086      4.360857
  H     -11.441515      1.931666      0.102371
  H      -9.473118      1.008213     -1.205981
  H      -7.241662      0.930666     -0.138155
  H      -1.105007     -0.855908      4.706381
  H      -2.855205     -0.911563      4.526767
  H      -0.793931     -0.202352      2.422828
  H      -2.360870      0.636164      2.377258
  H      -3.583558     -1.531509      2.426889
  H      -2.048822     -2.417808      2.565016
  H      -5.150240      1.662011     -0.024961
  H      -4.542014      0.014280     -4.323944
  H      -3.171950     -1.923524     -5.222821
  H      -1.840673     -3.299416     -3.629922
  H      -6.314442      0.151928      5.470421
  H      -6.750443      0.319285      7.178919
  H      -4.457855     -1.518439      6.327105
  H      -5.397240     -1.581523      7.828411
  H      -7.450064     -2.212860      6.368937
  H      -6.125865     -3.421800      6.455958
  H     -10.213884     -0.716799      3.997397
  H      -8.885444     -1.662416     -0.349054
  H      -6.721284     -2.584749     -1.304666
  H      -4.879093     -3.192792      0.253147
  N      -4.764350      1.304400      3.779438
  N      -5.425129      0.855245      2.775027
  H      -4.870040      0.360844      2.040024
  H      -6.347514      1.305561      2.477325
99
Coordinates from ORCA-job orca E -6533.133712903358
  N      -4.096362      3.834860      5.001044
  Mo     -3.826398      1.871789      5.182013
  N      -4.835510      1.030241      6.645155
  C      -4.328716      1.177821      8.007796
  C      -3.568466      2.490983      8.137361
  N      -2.649254      2.655733      6.982441
  C      -2.348607      4.077947      6.686237
  C      -3.551967      4.724756      6.024563
  C      -1.410380      1.844775      7.108037
  C      -0.930439      1.471963      5.707631
  N      -2.074490      0.985766      4.943991
  H      -3.243174      5.683863      5.568902
  H      -4.316790      4.979484      6.784098
  H      -1.499564      4.089093      5.988590
  H      -2.048106      4.615994      7.602600
  H      -0.152109      0.694511      5.782551
  H      -0.457356      2.342939      5.216926
  H      -1.668344      0.925081      7.650905
  H      -0.647200      2.392022      7.689922
  H      -5.166383      1.180152      8.729450
  H      -3.680096      0.324742      8.287005
  H      -4.284883      3.322644      8.101689
  H      -3.014965      2.551845      9.090593
  C      -5.111251      4.486779      4.170272
  C      -6.444931      4.764850      4.887018
  C      -7.178584      3.512013      5.338207
  O      -7.488424      2.690167      4.185832
  C      -8.724117      2.779847      3.647549
  N      -9.727658      3.327770      4.321539
  C     -10.933255      3.340238      3.708830
  N     -11.237678      2.889368      2.502429
  C     -10.198486      2.354642      1.786640
  C     -10.395621      1.893531      0.465632
  C      -9.306940      1.388262     -0.233053
  C      -8.050612      1.337379      0.384227
  N      -7.820510      1.757004      1.635965
  C      -8.881904      2.262021      2.328073
  C      -1.958075     -0.314657      4.276092
  C      -1.851460     -0.258291      2.741985
  C      -2.520099     -1.502192      2.167330
  O      -2.393876     -1.650280      0.732741
  C      -3.161914     -0.886641     -0.055154
  N      -3.886893      0.112561      0.447842
  C      -4.579122      0.874749     -0.432495
  N      -4.659561      0.737327     -1.741018
  C      -3.949614     -0.313940     -2.270780
  C      -3.981233     -0.571127     -3.656738
  C      -3.246544     -1.641165     -4.152955
  C      -2.496826     -2.430223     -3.262951
  N      -2.435280     -2.224389     -1.946028
  C      -3.153695     -1.178793     -1.458618
  C      -5.913653      0.059507      6.506269
  C      -5.458672     -1.385287      6.768150
  C      -6.387604     -2.418302      6.153817
  O      -6.212656     -2.431637      4.713677
  C      -7.220371     -2.018596      3.923289
  N      -8.325894     -1.503191      4.438668
  C      -9.307924     -1.161583      3.569143
  N      -9.307562     -1.293665      2.255718
  C      -8.158114     -1.802081      1.710504
  C      -8.040403     -1.966467      0.309442
  C      -6.859346     -2.481791     -0.204239
  C      -5.815850     -2.821382      0.676565
  N      -5.879795     -2.679219      2.001967
  C      -7.038083     -2.179823      2.508748
  H      -4.704816      5.448293      3.802897
  H      -5.299381      3.854875      3.292757
  H      -6.281429      5.402766      5.771060
  H      -7.095388      5.338675      4.207017
  H      -8.104544      3.757950      5.871916
  H      -6.540441      2.882522      5.973836
  H     -11.750079      3.780301      4.290085
  H     -11.392937      1.955205      0.029576
  H      -9.411567      1.030178     -1.257761
  H      -7.194071      0.940206     -0.163084
  H      -1.093658     -0.854368      4.699530
  H      -2.844736     -0.919788      4.530841
  H      -0.803204     -0.193456      2.413720
  H      -2.374122      0.637676      2.384108
  H      -3.587310     -1.533724      2.435626
  H      -2.048194     -2.415491      2.557064
  H      -5.132501      1.707906      0.013502
  H      -4.581159      0.075382     -4.298785
  H      -3.243388     -1.875678     -5.218475
  H      -1.915875     -3.276330     -3.643585
  H      -6.310683      0.139098      5.487131
  H      -6.742958      0.312353      7.195993
  H      -4.449350     -1.525472      6.346821
  H      -5.386667     -1.585101      7.849577
  H      -7.441040     -2.223442      6.394541
  H      -6.115250     -3.431062      6.483204
  H     -10.205671     -0.728890      4.022306
  H      -8.884967     -1.691875     -0.322667
  H      -6.724654     -2.623295     -1.277676
  H      -4.881886     -3.230774      0.279658
  N      -4.766000      1.289717      3.788426
  N      -5.427634      0.837037      2.786304
  H      -4.874363      0.335039      2.055412
  H      -6.348616      1.287624      2.485313
99
Coordinates from ORCA-job orca E -6533.133755831591
  N      -4.094746      3.833464      4.995301
  Mo     -3.825550      1.870782      5.178533
  N      -4.835900      1.029920      6.641593
  C      -4.330235      1.177586      8.004979
  C      -3.569585      2.490575      8.134903
  N      -2.650180      2.655495      6.979923
  C      -2.349821      4.077533      6.683700
  C      -3.553327      4.723225      6.020775
  C      -1.411375      1.844841      7.106160
  C      -0.930644      1.472216      5.705998
  N      -2.073957      0.984545      4.942719
  H      -3.244959      5.683691      5.566943
  H      -4.319936      4.976447      6.779556
  H      -1.500707      4.089031      5.986051
  H      -2.049894      4.615800      7.600240
  H      -0.151295      0.695956      5.781192
  H      -0.458608      2.343312      5.215121
  H      -1.670068      0.925518      7.648524
  H      -0.648574      2.391721      7.688645
  H      -5.169158      1.180493      8.726134
  H      -3.681732      0.324055      8.285384
  H      -4.286139      3.322511      8.099669
  H      -3.016125      2.550967      9.088546
  C      -5.110737      4.483722      4.164588
  C      -6.442739      4.768290      4.882662
  C      -7.179442      3.520058      5.342367
  O      -7.492886      2.692498      4.195241
  C      -8.731194      2.775079      3.661832
  N      -9.733393      3.326884      4.334815
  C     -10.941430      3.330879      3.726919
  N     -11.249750      2.867424      2.526213
  C     -10.211895      2.329514      1.810566
  C     -10.412205      1.855345      0.494448
  C      -9.324237      1.347802     -0.203987
  C      -8.065221      1.306927      0.408672
  N      -7.832224      1.738454      1.655971
  C      -8.892632      2.246383      2.346780
  C      -1.957432     -0.317600      4.278161
  C      -1.851436     -0.265032      2.743895
  C      -2.514877     -1.513486      2.173147
  O      -2.387749     -1.665758      0.738870
  C      -3.157737     -0.906388     -0.051544
  N      -3.889710      0.088878      0.449593
  C      -4.580839      0.850042     -0.432746
  N      -4.653326      0.715788     -1.742135
  C      -3.936889     -0.332084     -2.270383
  C      -3.959812     -0.585853     -3.657068
  C      -3.219129     -1.652485     -4.151711
  C      -2.472235     -2.441292     -3.259390
  N      -2.418294     -2.238297     -1.941523
  C      -3.142696     -1.196326     -1.455569
  C      -5.914697      0.060234      6.501615
  C      -5.459755     -1.385893      6.755497
  C      -6.390281     -2.415447      6.138531
  O      -6.217758     -2.421637      4.697955
  C      -7.224393     -1.998096      3.911614
  N      -8.327316     -1.482344      4.432007
  C      -9.308583     -1.129653      3.566108
  N      -9.309298     -1.249939      2.251481
  C      -8.161378     -1.756500      1.701028
  C      -8.043885     -1.906363      0.298370
  C      -6.863643     -2.418747     -0.220590
  C      -5.821743     -2.771387      0.656499
  N      -5.886234     -2.644459      1.983490
  C      -7.042916     -2.146587      2.495367
  H      -4.703004      5.443094      3.792805
  H      -5.301515      3.848911      3.289619
  H      -6.276524      5.411004      5.762820
  H      -7.092825      5.339572      4.200142
  H      -8.104199      3.771006      5.875760
  H      -6.541768      2.892898      5.980908
  H     -11.757207      3.773411      4.308184
  H     -11.411760      1.908386      0.062326
  H      -9.431750      0.980801     -1.225213
  H      -7.208744      0.908271     -0.137763
  H      -1.092288     -0.855301      4.702050
  H      -2.843104     -0.922818      4.536161
  H      -0.803422     -0.197068      2.415255
  H      -2.377011      0.628169      2.383095
  H      -3.581576     -1.548922      2.441324
  H      -2.038229     -2.422478      2.565621
  H      -5.140380      1.679597      0.012456
  H      -4.557815      0.060723     -4.300966
  H      -3.209603     -1.884925     -5.217652
  H      -1.886578     -3.284502     -3.638776
  H      -6.315410      0.144906      5.484636
  H      -6.741196      0.310290      7.195237
  H      -4.451499     -1.524763      6.330926
  H      -5.384723     -1.590405      7.835811
  H      -7.443158     -2.221569      6.382170
  H      -6.117762     -3.429962      6.462431
  H     -10.204724     -0.698442      4.023740
  H      -8.887514     -1.623903     -0.331604
  H      -6.728676     -2.548581     -1.295556
  H      -4.888828     -3.178636      0.254779
  N      -4.761062      1.285826      3.783548
  N      -5.419932      0.831134      2.780355
  H      -4.863579      0.329957      2.051110
  H      -6.334277      1.288443      2.471832
99
Coordinates from ORCA-job orca E -6533.133256102240
  N      -4.097344      3.851039      4.999724
  Mo     -3.841728      1.887012      5.170024
  N      -4.855712      1.042809      6.628228
  C      -4.350341      1.182000      7.993382
  C      -3.580166      2.488631      8.129777
  N      -2.660185      2.652682      6.975323
  C      -2.348877      4.073376      6.687128
  C      -3.547939      4.731244      6.029004
  C      -1.428025      1.832959      7.096071
  C      -0.949926      1.466661      5.692863
  N      -2.095897      0.990933      4.924739
  H      -3.233527      5.691546      5.580006
  H      -4.311782      4.985856      6.790602
  H      -1.500388      4.082365      5.989062
  H      -2.044366      4.603946      7.606842
  H      -0.175551      0.685497      5.763361
  H      -0.471379      2.337753      5.207667
  H      -1.693227      0.912679      7.632456
  H      -0.661407      2.370620      7.682178
  H      -5.190157      1.187807      8.714097
  H      -3.707624      0.322982      8.271200
  H      -4.290591      3.325135      8.098854
  H      -3.026294      2.540575      9.083743
  C      -5.116214      4.510435      4.181346
  C      -6.434014      4.807861      4.920053
  C      -7.171326      3.567894      5.398447
  O      -7.517011      2.741493      4.260727
  C      -8.764542      2.838660      3.753497
  N      -9.746483      3.399632      4.447875
  C     -10.966920      3.417268      3.866404
  N     -11.304713      2.960407      2.672554
  C     -10.288202      2.412522      1.934902
  C     -10.522608      1.939086      0.623630
  C      -9.455747      1.420317     -0.098441
  C      -8.183690      1.367539      0.486532
  N      -7.919165      1.795913      1.728846
  C      -8.959039      2.314209      2.442218
  C      -1.983602     -0.310783      4.259014
  C      -1.860853     -0.261517      2.726079
  C      -2.512088     -1.515130      2.152362
  O      -2.362600     -1.679716      0.720949
  C      -3.133668     -0.940784     -0.089820
  N      -3.897081      0.040540      0.392264
  C      -4.590115      0.781590     -0.506366
  N      -4.635834      0.638472     -1.816290
  C      -3.888473     -0.397862     -2.325764
  C      -3.882634     -0.661254     -3.710594
  C      -3.114099     -1.717098     -4.185940
  C      -2.368059     -2.485334     -3.276381
  N      -2.339017     -2.271834     -1.959058
  C      -3.090982     -1.240714     -1.491853
  C      -5.936881      0.075589      6.481036
  C      -5.490694     -1.371480      6.742527
  C      -6.416170     -2.399979      6.118508
  O      -6.212200     -2.431232      4.681501
  C      -7.197862     -2.017368      3.863340
  N      -8.307827     -1.481232      4.347004
  C      -9.266720     -1.141551      3.451365
  N      -9.239358     -1.292795      2.139851
  C      -8.084873     -1.822943      1.626734
  C      -7.938341     -2.008783      0.230482
  C      -6.751466     -2.542494     -0.250534
  C      -5.732511     -2.882219      0.657674
  N      -5.825523     -2.723767      1.980306
  C      -6.987691     -2.202861      2.454784
  H      -4.704453      5.465088      3.803489
  H      -5.324471      3.876372      3.309597
  H      -6.247748      5.451685      5.794656
  H      -7.091303      5.381211      4.247738
  H      -8.082213      3.828147      5.950886
  H      -6.525749      2.936931      6.024073
  H     -11.764779      3.869430      4.464507
  H     -11.531471      2.001090      0.213596
  H      -9.590125      1.053223     -1.117731
  H      -7.343050      0.962830     -0.079286
  H      -1.124318     -0.852876      4.689935
  H      -2.873930     -0.911556      4.510457
  H      -0.809154     -0.192099      2.410732
  H      -2.383493      0.628477      2.355262
  H      -3.581721     -1.552799      2.404137
  H      -2.037681     -2.419036      2.559301
  H      -5.179998      1.597734     -0.075471
  H      -4.480241     -0.030427     -4.367786
  H      -3.082048     -1.956656     -5.249599
  H      -1.760145     -3.319625     -3.640402
  H      -6.329207      0.159624      5.461242
  H      -6.768456      0.329556      7.167817
  H      -4.477549     -1.515373      6.331829
  H      -5.430905     -1.572707      7.824145
  H      -7.471130     -2.195136      6.337152
  H      -6.159424     -3.411103      6.462578
  H     -10.169036     -0.692478      3.879272
  H      -8.764946     -1.734365     -0.425029
  H      -6.593606     -2.698024     -1.319824
  H      -4.794549     -3.305124      0.285500
  N      -4.788584      1.322852      3.774175
  N      -5.456537      0.885075      2.770196
  H      -4.904399      0.409055      2.020935
  H      -6.372431      1.352552      2.479637
99
Coordinates from ORCA-job orca E -6533.133256390852
  N      -4.111738      3.843192      5.010408
  Mo     -3.841064      1.880202      5.183346
  N      -4.838897      1.032854      6.652301
  C      -4.320739      1.172810      8.010984
  C      -3.559842      2.485413      8.140882
  N      -2.651308      2.656605      6.978508
  C      -2.354882      4.080745      6.686351
  C      -3.564318      4.728138      6.036432
  C      -1.411026      1.846069      7.090556
  C      -0.941810      1.478950      5.685222
  N      -2.090584      0.994148      4.928774
  H      -3.261038      5.691624      5.584903
  H      -4.325253      4.975826      6.802252
  H      -1.510993      4.096739      5.982432
  H      -2.048691      4.615112      7.602987
  H      -0.162255      0.701880      5.751080
  H      -0.473199      2.351759      5.193915
  H      -1.664749      0.923632      7.631816
  H      -0.643162      2.391079      7.668953
  H      -5.151807      1.171389      8.739531
  H      -3.670203      0.318406      8.279839
  H      -4.277270      3.316957      8.116223
  H      -2.998198      2.541695      9.089621
  C      -5.134370      4.495535      4.189884
  C      -6.463790      4.760777      4.918143
  C      -7.184315      3.497676      5.363034
  O      -7.497659      2.685762      4.204255
  C      -8.741359      2.766357      3.683325
  N      -9.743225      3.289031      4.379412
  C     -10.957767      3.290816      3.785101
  N     -11.272964      2.851266      2.577277
  C     -10.235989      2.344034      1.838202
  C     -10.444820      1.897618      0.514169
  C      -9.358401      1.421555     -0.208376
  C      -8.091562      1.385498      0.388319
  N      -7.850115      1.790739      1.643044
  C      -8.909799      2.266216      2.357888
  C      -1.976441     -0.308003      4.262473
  C      -1.859949     -0.258643      2.728763
  C      -2.513466     -1.513637      2.159476
  O      -2.368190     -1.683287      0.728602
  C      -3.126718     -0.935581     -0.083285
  N      -3.864889      0.067883      0.391611
  C      -4.543327      0.814331     -0.512789
  N      -4.599790      0.657107     -1.820127
  C      -3.880351     -0.402292     -2.320614
  C      -3.892072     -0.684672     -3.701794
  C      -3.151103     -1.763902     -4.167674
  C      -2.414063     -2.535867     -3.252519
  N      -2.370991     -2.305489     -1.938799
  C      -3.096605     -1.251994     -1.480959
  C      -5.915019      0.060480      6.516283
  C      -5.451033     -1.386084      6.756512
  C      -6.377324     -2.417444      6.133773
  O      -6.210481     -2.408637      4.692575
  C      -7.223814     -1.989314      3.913549
  N      -8.333022     -1.495473      4.441551
  C      -9.319595     -1.143309      3.581007
  N      -9.318628     -1.241846      2.264782
  C      -8.163958     -1.724895      1.707160
  C      -8.042791     -1.848025      0.302255
  C      -6.855492     -2.335819     -0.223754
  C      -5.810256     -2.690726      0.648606
  N      -5.877919     -2.588749      1.977219
  C      -7.041104     -2.114706      2.495703
  H      -4.734727      5.461053      3.825712
  H      -5.325802      3.867936      3.309870
  H      -6.297821      5.391611      5.807010
  H      -7.123539      5.335853      4.247941
  H      -8.107736      3.730606      5.907045
  H      -6.535615      2.866376      5.986412
  H     -11.772082      3.710227      4.384607
  H     -11.449805      1.946668      0.095139
  H      -9.473088      1.075870     -1.236191
  H      -7.236749      1.011555     -0.177625
  H      -1.114897     -0.847589      4.690989
  H      -2.864328     -0.912997      4.515086
  H      -0.810002     -0.187466      2.406455
  H      -2.386760      0.631217      2.361474
  H      -3.583532     -1.548540      2.415194
  H      -2.039542     -2.418176      2.566062
  H      -5.107357      1.651848     -0.090294
  H      -4.483641     -0.050415     -4.364457
  H      -3.134364     -2.019487     -5.228439
  H      -1.828668     -3.388986     -3.608969
  H      -6.325521      0.150390      5.502706
  H      -6.736571      0.303323      7.218746
  H      -4.443862     -1.515677      6.326407
  H      -5.369135     -1.598551      7.835094
  H      -7.431285     -2.233440      6.382981
  H      -6.096058     -3.433570      6.446433
  H     -10.221364     -0.730706      4.045323
  H      -8.888560     -1.563338     -0.324393
  H      -6.717528     -2.443562     -1.300356
  H      -4.871625     -3.078095      0.241042
  N      -4.794677      1.305851      3.796303
  N      -5.469938      0.858496      2.800425
  H      -4.923499      0.384601      2.045841
  H      -6.400956      1.303959      2.525670
99
Coordinates from ORCA-job orca E -6533.133104675096
  N      -4.088177      3.841546      5.003510
  Mo     -3.817706      1.875938      5.178614
  N      -4.837235      1.030474      6.632377
  C      -4.341052      1.177260      7.998751
  C      -3.580847      2.489948      8.135953
  N      -2.652048      2.655439      6.988833
  C      -2.347709      4.077969      6.697722
  C      -3.547857      4.727336      6.032831
  C      -1.414638      1.842020      7.122158
  C      -0.924987      1.472878      5.724580
  N      -2.065374      0.991224      4.952876
  H      -3.237411      5.688512      5.583109
  H      -4.315803      4.978572      6.789599
  H      -1.495638      4.090035      6.003609
  H      -2.050920      4.613359      7.616619
  H      -0.148161      0.693921      5.802709
  H      -0.447695      2.344971      5.239890
  H      -1.678217      0.920612      7.660055
  H      -0.655157      2.386325      7.711452
  H      -5.184422      1.178668      8.713304
  H      -3.695019      0.323822      8.282509
  H      -4.295781      3.322793      8.095871
  H      -3.034329      2.548352      9.093129
  C      -5.106756      4.498614      4.180421
  C      -6.441274      4.767189      4.898554
  C      -7.170439      3.508198      5.341703
  O      -7.472017      2.687169      4.185971
  C      -8.705909      2.770599      3.642074
  N      -9.713464      3.318797      4.310007
  C     -10.917634      3.320581      3.693569
  N     -11.217891      2.857858      2.489606
  C     -10.174691      2.322160      1.780327
  C     -10.367014      1.848288      0.463375
  C      -9.275088      1.337991     -0.226510
  C      -8.020868      1.296181      0.394658
  N      -7.794161      1.730876      1.641567
  C      -8.858603      2.240398      2.326027
  C      -1.955604     -0.307222      4.281313
  C      -1.861984     -0.241885      2.747204
  C      -2.554782     -1.471851      2.172024
  O      -2.431771     -1.621284      0.737696
  C      -3.190577     -0.856005     -0.056548
  N      -3.912332      0.152649      0.432154
  C      -4.598403      0.904462     -0.461358
  N      -4.674578      0.752456     -1.768615
  C      -3.966688     -0.306553     -2.282318
  C      -3.990704     -0.578155     -3.666097
  C      -3.255462     -1.655010     -4.145983
  C      -2.514644     -2.437928     -3.242462
  N      -2.461551     -2.218653     -1.927525
  C      -3.178214     -1.164379     -1.456332
  C      -5.911836      0.056650      6.488174
  C      -5.452841     -1.385986      6.755778
  C      -6.380451     -2.423248      6.146240
  O      -6.210135     -2.437396      4.706476
  C      -7.219747     -2.015497      3.924080
  N      -8.318044     -1.494774      4.449215
  C      -9.303072     -1.141351      3.587989
  N      -9.311212     -1.265077      2.274179
  C      -8.169044     -1.779103      1.719000
  C      -8.061319     -1.934735      0.316739
  C      -6.891016     -2.464307     -0.206517
  C      -5.846223     -2.822794      0.665741
  N      -5.898073     -2.682756      1.991453
  C      -7.047688     -2.172244      2.507989
  H      -4.703667      5.464455      3.819728
  H      -5.295568      3.874843      3.299998
  H      -6.281168      5.401467      5.785998
  H      -7.092985      5.342431      4.220055
  H      -8.099216      3.747332      5.873603
  H      -6.530931      2.879562      5.977519
  H     -11.737964      3.762221      4.268769
  H     -11.363319      1.902496      0.024338
  H      -9.376074      0.967191     -1.246296
  H      -7.163416      0.887735     -0.142899
  H      -1.092921     -0.855316      4.697761
  H      -2.845887     -0.905822      4.538099
  H      -0.815217     -0.189537      2.410775
  H      -2.375451      0.663636      2.399520
  H      -3.623292     -1.487061      2.442564
  H      -2.097129     -2.393784      2.559607
  H      -5.142885      1.750470     -0.028676
  H      -4.584701      0.063800     -4.319101
  H      -3.245035     -1.899570     -5.209380
  H      -1.933911     -3.290116     -3.610099
  H      -6.305123      0.133344      5.467461
  H      -6.744156      0.307699      7.174654
  H      -4.443283     -1.525228      6.334756
  H      -5.379998     -1.582000      7.837826
  H      -7.434302     -2.229741      6.389121
  H      -6.105131     -3.435000      6.476792
  H     -10.194100     -0.702935      4.048307
  H      -8.906004     -1.645205     -0.308259
  H      -6.765083     -2.602981     -1.280844
  H      -4.920938     -3.244859      0.261741
  N      -4.731796      1.287179      3.770535
  N      -5.372331      0.828414      2.754959
  H      -4.804837      0.317300      2.043395
  H      -6.290386      1.269037      2.432388
99
Coordinates from ORCA-job orca E -6533.133720259734
  N      -4.096928      3.847753      5.007944
  Mo     -3.830382      1.883007      5.175878
  N      -4.840431      1.033418      6.633905
  C      -4.334733      1.173697      7.998324
  C      -3.571625      2.484439      8.135611
  N      -2.652232      2.654656      6.981412
  C      -2.349308      4.077891      6.694881
  C      -3.552318      4.730072      6.038178
  C      -1.414751      1.841395      7.101442
  C      -0.935735      1.477225      5.698411
  N      -2.080400      0.995733      4.932552
  H      -3.242929      5.692610      5.590321
  H      -4.317269      4.979578      6.799707
  H      -1.501101      4.092537      5.996276
  H      -2.047275      4.609230      7.614775
  H      -0.157642      0.699351      5.768805
  H      -0.462223      2.350480      5.212501
  H      -1.674578      0.919092      7.637707
  H      -0.650828      2.383128      7.687075
  H      -5.174129      1.174020      8.719314
  H      -3.687471      0.317642      8.274789
  H      -4.286388      3.317783      8.105420
  H      -3.017582      2.538063      9.089284
  C      -5.114396      4.505460      4.184790
  C      -6.444840      4.784140      4.908021
  C      -7.180056      3.532387      5.360590
  O      -7.499080      2.712119      4.209814
  C      -8.738049      2.805043      3.679835
  N      -9.734161      3.360519      4.358836
  C     -10.944731      3.372996      3.756248
  N     -11.261246      2.914080      2.556081
  C     -10.229928      2.371806      1.834626
  C     -10.440268      1.900063      0.519084
  C      -9.359348      1.385145     -0.184717
  C      -8.097949      1.335508      0.422030
  N      -7.855013      1.765783      1.667644
  C      -8.908448      2.280179      2.364443
  C      -1.966466     -0.306929      4.268639
  C      -1.859533     -0.256645      2.734744
  C      -2.514243     -1.510521      2.166524
  O      -2.379230     -1.668135      0.733904
  C      -3.150049     -0.915134     -0.061306
  N      -3.889462      0.076206      0.435864
  C      -4.586747      0.827913     -0.449465
  N      -4.657156      0.688371     -1.758659
  C      -3.930758     -0.354550     -2.282876
  C      -3.948404     -0.611924     -3.669142
  C      -3.197649     -1.673404     -4.159533
  C      -2.447200     -2.454619     -3.263632
  N      -2.398065     -2.248154     -1.946101
  C      -3.131012     -1.209983     -1.464450
  C      -5.918277      0.062526      6.490254
  C      -5.463312     -1.382556      6.749174
  C      -6.391211     -2.415581      6.134496
  O      -6.210572     -2.436309      4.694928
  C      -7.210733     -2.016418      3.898194
  N      -8.312937     -1.486888      4.406303
  C      -9.286999     -1.138040      3.530787
  N      -9.281528     -1.274998      2.217808
  C      -8.135392     -1.798426      1.679733
  C      -8.012647     -1.968459      0.279759
  C      -6.836046     -2.501447     -0.226352
  C      -5.802063     -2.853109      0.660639
  N      -5.870684     -2.705132      1.985408
  C      -7.024306     -2.187337      2.484842
  H      -4.707364      5.467355      3.819066
  H      -5.307861      3.877518      3.305842
  H      -6.276755      5.420300      5.792341
  H      -7.096397      5.360414      4.231367
  H      -8.102423      3.779651      5.899758
  H      -6.539994      2.900601      5.991816
  H     -11.755230      3.819846      4.341584
  H     -11.441762      1.960164      0.091822
  H      -9.474440      1.018176     -1.205328
  H      -7.247325      0.929153     -0.127765
  H      -1.101735     -0.845467      4.692693
  H      -2.852861     -0.910218      4.527952
  H      -0.811216     -0.183912      2.408019
  H      -2.389028      0.632942      2.371010
  H      -3.582257     -1.550970      2.429694
  H      -2.034874     -2.415527      2.565554
  H      -5.155116      1.653083     -0.006837
  H      -4.549563      0.028322     -4.315648
  H      -3.182826     -1.907518     -5.224975
  H      -1.854050     -3.294266     -3.639680
  H      -6.315939      0.145458      5.472421
  H      -6.747011      0.312352      7.181307
  H      -4.453571     -1.522151      6.328588
  H      -5.392052     -1.583353      7.830254
  H      -7.444900     -2.218559      6.370501
  H      -6.121868     -3.427120      6.468941
  H     -10.182240     -0.694200      3.977865
  H      -8.849787     -1.684688     -0.357936
  H      -6.697326     -2.647864     -1.298929
  H      -4.872231     -3.277288      0.269491
  N      -4.768792      1.312948      3.776389
  N      -5.429217      0.870678      2.768107
  H      -4.872325      0.395445      2.023380
  H      -6.349402      1.326707      2.474835
99
Coordinates from ORCA-job orca E -6533.133421326392
  N      -4.108035      3.827560      4.992705
  Mo     -3.843425      1.866105      5.181744
  N      -4.844757      1.033602      6.656354
  C      -4.330622      1.186815      8.015981
  C      -3.564935      2.497603      8.133993
  N      -2.653120      2.652238      6.971916
  C      -2.347944      4.071238      6.666349
  C      -3.553652      4.719424      6.009575
  C      -1.418793      1.835011      7.094179
  C      -0.946570      1.457233      5.692261
  N      -2.095012      0.975204      4.932616
  H      -3.244456      5.676125      5.548171
  H      -4.312871      4.980159      6.773568
  H      -1.503857      4.075356      5.962710
  H      -2.038875      4.612422      7.578253
  H      -0.170805      0.677378      5.764426
  H      -0.471815      2.325332      5.198586
  H      -1.680341      0.918468      7.640017
  H      -0.650054      2.378926      7.672097
  H      -5.165049      1.197005      8.742040
  H      -3.683730      0.332732      8.297264
  H      -4.278799      3.331509      8.098869
  H      -3.005200      2.561491      9.083723
  C      -5.129625      4.477067      4.169113
  C      -6.453245      4.764745      4.900903
  C      -7.184773      3.516363      5.367022
  O      -7.510021      2.691768      4.221305
  C      -8.751498      2.783047      3.697125
  N      -9.748556      3.326902      4.383861
  C     -10.960947      3.338641      3.785724
  N     -11.277788      2.890450      2.582335
  C     -10.245153      2.362345      1.852121
  C     -10.455423      1.903973      0.531832
  C      -9.372256      1.408661     -0.182875
  C      -8.107404      1.365206      0.418088
  N      -7.865591      1.779941      1.669612
  C      -8.921869      2.273506      2.376381
  C      -1.981883     -0.322478      4.258185
  C      -1.865239     -0.260387      2.724845
  C      -2.526097     -1.505346      2.142953
  O      -2.377610     -1.665052      0.710863
  C      -3.130764     -0.907955     -0.099240
  N      -3.866236      0.095836      0.380327
  C      -4.539357      0.852255     -0.520649
  N      -4.591760      0.705181     -1.829535
  C      -3.873490     -0.352758     -2.336037
  C      -3.879521     -0.623104     -3.719596
  C      -3.141587     -1.701824     -4.191662
  C      -2.413078     -2.485089     -3.280195
  N      -2.374472     -2.266025     -1.964151
  C      -3.097157     -1.213107     -1.500093
  C      -5.925577      0.064863      6.526255
  C      -5.471523     -1.381569      6.781177
  C      -6.400227     -2.412026      6.163059
  O      -6.220645     -2.424321      4.722709
  C      -7.221963     -2.004633      3.927490
  N      -8.330581     -1.490562      4.437377
  C      -9.304672     -1.140237      3.562115
  N      -9.292429     -1.259341      2.247358
  C      -8.138692     -1.764479      1.707794
  C      -8.006258     -1.911751      0.305824
  C      -6.818824     -2.418276     -0.202046
  C      -5.785894     -2.770832      0.685480
  N      -5.865786     -2.649826      2.012364
  C      -7.027908     -2.154489      2.512909
  H      -4.723399      5.433603      3.789687
  H      -5.330903      3.839022      3.298144
  H      -6.277230      5.406116      5.779864
  H      -7.110316      5.336508      4.226292
  H      -8.103799      3.766109      5.910815
  H      -6.539952      2.887994      5.996421
  H     -11.771627      3.775264      4.378044
  H     -11.458894      1.960025      0.109051
  H      -9.487992      1.054454     -1.208479
  H      -7.253732      0.979852     -0.142241
  H      -1.120498     -0.866086      4.682063
  H      -2.870321     -0.927879      4.507186
  H      -0.814938     -0.192185      2.404103
  H      -2.385896      0.635663      2.365106
  H      -3.596367     -1.534305      2.394317
  H      -2.060174     -2.415839      2.544680
  H      -5.106717      1.685266     -0.092535
  H      -4.463649      0.019918     -4.378733
  H      -3.120596     -1.948324     -5.254265
  H      -1.830089     -3.337830     -3.641513
  H      -6.332219      0.147353      5.511197
  H      -6.748273      0.318317      7.223661
  H      -4.462826     -1.520739      6.357857
  H      -5.397472     -1.585182      7.861802
  H      -7.453732     -2.216701      6.400883
  H      -6.130183     -3.425591      6.491464
  H     -10.206572     -0.711911      4.011831
  H      -8.843210     -1.628860     -0.333188
  H      -6.671405     -2.542761     -1.276323
  H      -4.847636     -3.173392      0.292058
  N      -4.796445      1.280985      3.798797
  N      -5.470397      0.827265      2.805517
  H      -4.935095      0.287177      2.087575
  H      -6.369538      1.308830      2.488858
99
Coordinates from ORCA-job orca E -6533.133786932038
  N      -4.098931      3.837584      4.996495
  Mo     -3.828488      1.874747      5.177557
  N      -4.838189      1.033101      6.640406
  C      -4.332350      1.180339      8.003457
  C      -3.572165      2.493530      8.133437
  N      -2.652579      2.658892      6.978687
  C      -2.352145      4.081215      6.682861
  C      -3.555350      4.727570      6.020664
  C      -1.413684      1.848242      7.104731
  C      -0.932721      1.475969      5.704631
  N      -2.075981      0.989364      4.940150
  H      -3.246721      5.687167      5.565663
  H      -4.320856      4.981435      6.779862
  H      -1.502934      4.092777      5.985395
  H      -2.052103      4.619189      7.599444
  H      -0.154231      0.698804      5.780228
  H      -0.459405      2.346865      5.214183
  H      -1.672332      0.928220      7.646863
  H      -0.651008      2.395110      7.687703
  H      -5.170840      1.182967      8.724219
  H      -3.684229      0.327082      8.283572
  H      -4.288760      3.325093      8.097642
  H      -3.018844      2.554210      9.086844
  C      -5.119046      4.487681      4.171198
  C      -6.447653      4.763056      4.897713
  C      -7.172843      3.507581      5.355249
  O      -7.489590      2.684198      4.206058
  C      -8.728685      2.775354      3.675780
  N      -9.727782      3.320348      4.358871
  C     -10.938286      3.330563      3.756420
  N     -11.251888      2.879026      2.552614
  C     -10.217358      2.347972      1.827343
  C     -10.425065      1.885203      0.508516
  C      -9.340848      1.384468     -0.200381
  C      -8.078165      1.341098      0.404362
  N      -7.837867      1.762159      1.653735
  C      -8.895438      2.260507      2.356418
  C      -1.958126     -0.313381      4.276238
  C      -1.851073     -0.261851      2.742174
  C      -2.512376     -1.511873      2.172120
  O      -2.381467     -1.670600      0.738826
  C      -3.151815     -0.918265     -0.057977
  N      -3.890367      0.075666      0.435515
  C      -4.581616      0.829261     -0.452906
  N      -4.649204      0.687591     -1.761738
  C      -3.926874     -0.360123     -2.281811
  C      -3.944163     -0.621501     -3.667316
  C      -3.197177     -1.687339     -4.153804
  C      -2.450024     -2.468466     -3.254810
  N      -2.401404     -2.258225     -1.937970
  C      -3.131441     -1.216406     -1.460090
  C      -5.916210      0.062641      6.500054
  C      -5.459013     -1.383412      6.751482
  C      -6.386527     -2.413981      6.130392
  O      -6.213563     -2.416177      4.689768
  C      -7.223070     -1.998606      3.903972
  N      -8.331389     -1.495135      4.424987
  C      -9.315087     -1.148460      3.559223
  N      -9.313696     -1.265010      2.244333
  C      -8.161756     -1.761678      1.693559
  C      -8.042990     -1.909203      0.290728
  C      -6.858200     -2.409866     -0.228778
  C      -5.812626     -2.753023      0.648041
  N      -5.878694     -2.629274      1.975245
  C      -7.040036     -2.143076      2.487620
  H      -4.716343      5.449280      3.800203
  H      -5.312292      3.854386      3.295535
  H      -6.279185      5.401680      5.780367
  H      -7.104960      5.334554      4.222299
  H      -8.095112      3.749911      5.896934
  H      -6.526578      2.880596      5.985179
  H     -11.750902      3.769591      4.344303
  H     -11.426816      1.942379      0.082163
  H      -9.453562      1.025737     -1.224061
  H      -7.224660      0.949597     -0.151652
  H      -1.092712     -0.850211      4.700930
  H      -2.843588     -0.919394      4.533640
  H      -0.802845     -0.192636      2.414226
  H      -2.377528      0.630300      2.380877
  H      -3.580038     -1.546805      2.437725
  H      -2.037415     -2.420198      2.569495
  H      -5.145287      1.659208     -0.013922
  H      -4.542946      0.018938     -4.316584
  H      -3.182470     -1.924710     -5.218725
  H      -1.859948     -3.311538     -3.627779
  H      -6.317179      0.147917      5.482912
  H      -6.743013      0.310983      7.194193
  H      -4.449994     -1.518906      6.327842
  H      -5.384962     -1.590777      7.831402
  H      -7.440271     -2.223531      6.373799
  H      -6.111297     -3.428600      6.451654
  H     -10.215457     -0.726346      4.017178
  H      -8.889152     -1.632691     -0.338442
  H      -6.721904     -2.536613     -1.303794
  H      -4.875540     -3.150569      0.246449
  N      -4.768165      1.292721      3.783863
  N      -5.430417      0.841023      2.781344
  H      -4.878069      0.340633      2.049703
  H      -6.352237      1.291535      2.480893
99
Coordinates from ORCA-job orca E -6533.133627717671
  N      -4.095059      3.841584      5.007290
  Mo     -3.829028      1.876945      5.179445
  N      -4.836254      1.030523      6.641428
  C      -4.327907      1.172556      8.004460
  C      -3.564032      2.483203      8.138174
  N      -2.647572      2.651838      6.981408
  C      -2.346225      4.074898      6.692172
  C      -3.551139      4.725262      6.036482
  C      -1.409718      1.838386      7.100011
  C      -0.933826      1.471549      5.696746
  N      -2.080281      0.989264      4.934398
  H      -3.243218      5.688078      5.587939
  H      -4.315824      4.974499      6.798226
  H      -1.499617      4.089171      5.991477
  H      -2.042590      4.607792      7.610567
  H      -0.155452      0.693850      5.766525
  H      -0.461618      2.344083      5.208431
  H      -1.668919      0.916898      7.638247
  H      -0.644251      2.380662      7.683182
  H      -5.165835      1.174200      8.726887
  H      -3.680553      0.316661      8.280895
  H      -4.278690      3.316862      8.109022
  H      -3.007409      2.537669      9.090265
  C      -5.111402      4.497648      4.180984
  C      -6.444996      4.776887      4.898250
  C      -7.182989      3.525501      5.348358
  O      -7.497024      2.703590      4.197105
  C      -8.734144      2.793194      3.661870
  N      -9.732653      3.353732      4.333233
  C     -10.941157      3.361384      3.726251
  N     -11.253812      2.892476      2.528529
  C     -10.219965      2.344900      1.814670
  C     -10.425528      1.861766      0.502521
  C      -9.342107      1.340965     -0.193073
  C      -8.082766      1.296289      0.418123
  N      -7.844331      1.737225      1.661059
  C      -8.900033      2.258216      2.349479
  C      -1.969650     -0.311894      4.267004
  C      -1.865334     -0.254827      2.733218
  C      -2.529975     -1.500758      2.158674
  O      -2.393560     -1.652859      0.725328
  C      -3.155411     -0.891865     -0.070928
  N      -3.895131      0.100183      0.424598
  C      -4.581744      0.858694     -0.463176
  N      -4.641732      0.726029     -1.773548
  C      -3.916038     -0.317793     -2.296251
  C      -3.923334     -0.568635     -3.683828
  C      -3.173166     -1.631134     -4.172721
  C      -2.433762     -2.419902     -3.274041
  N      -2.394808     -2.219722     -1.955204
  C      -3.126849     -1.180366     -1.475059
  C      -5.916010      0.061362      6.501896
  C      -5.463493     -1.384652      6.760796
  C      -6.398157     -2.415700      6.153113
  O      -6.222871     -2.441978      4.713312
  C      -7.218096     -2.004311      3.920237
  N      -8.303969     -1.445667      4.431930
  C      -9.274637     -1.077982      3.560413
  N      -9.280520     -1.221971      2.248234
  C      -8.150450     -1.775762      1.706354
  C      -8.041376     -1.958242      0.307017
  C      -6.882222     -2.525334     -0.202591
  C      -5.851445     -2.896706      0.679936
  N      -5.906516     -2.735863      2.003706
  C      -7.043767     -2.186284      2.506848
  H      -4.703829      5.459571      3.815761
  H      -5.301302      3.869246      3.302237
  H      -6.280967      5.414045      5.782708
  H      -7.093246      5.352719      4.217702
  H      -8.107834      3.773349      5.883057
  H      -6.545773      2.894391      5.983529
  H     -11.753704      3.812580      4.305426
  H     -11.425697      1.917262      0.071831
  H      -9.453840      0.965384     -1.210616
  H      -7.230254      0.884300     -0.124479
  H      -1.105739     -0.854139      4.687735
  H      -2.857386     -0.913400      4.525816
  H      -0.816744     -0.187500      2.405449
  H      -2.388801      0.640605      2.374757
  H      -3.598901     -1.534779      2.420371
  H      -2.057279     -2.410946      2.553699
  H      -5.147694      1.686050     -0.021810
  H      -4.516487      0.077338     -4.332544
  H      -3.150571     -1.860491     -5.239114
  H      -1.841200     -3.260426     -3.648873
  H      -6.317807      0.144651      5.485570
  H      -6.741287      0.313456      7.196145
  H      -4.456205     -1.528520      6.335546
  H      -5.387280     -1.583364      7.841939
  H      -7.450333     -2.213062      6.392413
  H      -6.132328     -3.427635      6.489680
  H     -10.155805     -0.609646      4.010319
  H      -8.875966     -1.659677     -0.327393
  H      -6.754823     -2.684056     -1.274595
  H      -4.935652     -3.347749      0.285816
  N      -4.767813      1.300055      3.783187
  N      -5.428854      0.852167      2.777913
  H      -4.871007      0.378692      2.032409
  H      -6.353834      1.299620      2.487917
99
Coordinates from ORCA-job orca E -6533.133762111883
  N      -4.093448      3.845093      5.000872
  Mo     -3.828875      1.880735      5.174213
  N      -4.841127      1.035193      6.633415
  C      -4.336691      1.178261      7.997748
  C      -3.572770      2.488785      8.132871
  N      -2.652254      2.655180      6.979232
  C      -2.347338      4.077336      6.688956
  C      -3.549214      4.729056      6.029503
  C      -1.416109      1.840308      7.102926
  C      -0.935392      1.472854      5.701457
  N      -2.079462      0.991665      4.934737
  H      -3.238857      5.690480      5.579764
  H      -4.314661      4.980878      6.789607
  H      -1.498619      4.089158      5.990931
  H      -2.045488      4.610843      7.607577
  H      -0.158205      0.694215      5.774125
  H      -0.460243      2.344899      5.214751
  H      -1.678226      0.919176      7.640723
  H      -0.652142      2.382121      7.688751
  H      -5.176346      1.180710      8.717626
  H      -3.690672      0.322643      8.276512
  H      -4.286768      3.322583      8.100156
  H      -3.019651      2.544217      9.086793
  C      -5.111312      4.501047      4.176866
  C      -6.440511      4.783517      4.900754
  C      -7.175624      3.533770      5.359053
  O      -7.496500      2.709537      4.211560
  C      -8.736065      2.800473      3.682535
  N      -9.731826      3.357949      4.360281
  C     -10.942706      3.368728      3.758247
  N     -11.259443      2.907561      2.559017
  C     -10.228208      2.364276      1.838331
  C     -10.438194      1.890962      0.523396
  C      -9.357351      1.374852     -0.179610
  C      -8.096091      1.324649      0.427436
  N      -7.853652      1.755914      1.673124
  C      -8.906908      2.272549      2.368424
  C      -1.966712     -0.310463      4.269481
  C      -1.858725     -0.257979      2.735750
  C      -2.520505     -1.507190      2.164808
  O      -2.382717     -1.665718      0.732274
  C      -3.146276     -0.910762     -0.068380
  N      -3.889741      0.081304      0.421838
  C      -4.576288      0.834883     -0.470508
  N      -4.633374      0.696485     -1.780346
  C      -3.904470     -0.348156     -2.297448
  C      -3.909154     -0.605380     -3.683778
  C      -3.156123     -1.668555     -4.166952
  C      -2.415955     -2.451306     -3.263763
  N      -2.379085     -2.244777     -1.945894
  C      -3.114651     -1.205326     -1.471260
  C      -5.917393      0.062517      6.490909
  C      -5.458272     -1.381881      6.747612
  C      -6.385910     -2.417633      6.137004
  O      -6.216292     -2.433247      4.696230
  C      -7.227460     -2.020736      3.909940
  N      -8.332230     -1.508897      4.430228
  C      -9.318620     -1.168980      3.564995
  N      -9.322302     -1.298182      2.251283
  C      -8.172963     -1.801290      1.700705
  C      -8.058874     -1.959832      0.298721
  C      -6.877938     -2.470523     -0.220202
  C      -5.831282     -2.811187      0.656099
  N      -5.891803     -2.674126      1.982334
  C      -7.049634     -2.178914      2.494224
  H      -4.703735      5.461340      3.807711
  H      -5.306348      3.870703      3.300339
  H      -6.270826      5.422678      5.782536
  H      -7.092796      5.357603      4.222966
  H      -8.097152      3.783336      5.898685
  H      -6.534717      2.904110      5.991608
  H     -11.752755      3.817266      4.342609
  H     -11.439610      1.950443      0.096165
  H      -9.472742      1.006445     -1.199699
  H      -7.245800      0.916371     -0.121369
  H      -1.103391     -0.851197      4.693735
  H      -2.854443     -0.912702      4.526797
  H      -0.809909     -0.190177      2.409641
  H      -2.383038      0.635156      2.373327
  H      -3.589377     -1.541035      2.425383
  H      -2.047168     -2.415342      2.564173
  H      -5.146210      1.661895     -0.033917
  H      -4.502691      0.036232     -4.336075
  H      -3.131483     -1.902797     -5.232215
  H      -1.820980     -3.292232     -3.633957
  H      -6.317607      0.145528      5.473637
  H      -6.745320      0.310407      7.184061
  H      -4.450154     -1.518952      6.322321
  H      -5.380970     -1.582591      7.828403
  H      -7.438938     -2.226454      6.381124
  H      -6.109248     -3.428953      6.466524
  H     -10.215683     -0.738844      4.022099
  H      -8.905421     -1.685320     -0.330760
  H      -6.745728     -2.607650     -1.294682
  H      -4.897471     -3.216185      0.254395
  N      -4.763686      1.306196      3.774266
  N      -5.421740      0.860823      2.765970
  H      -4.864284      0.370850      2.030341
  H      -6.335067      1.323085      2.461115
99
Coordinates from ORCA-job orca E -6533.133570696315
  N      -4.093920      3.823358      4.972621
  Mo     -3.831052      1.862139      5.174327
  N      -4.843622      1.039590      6.645931
  C      -4.337130      1.197682      8.007509
  C      -3.571977      2.509119      8.124062
  N      -2.651899      2.659050      6.967530
  C      -2.345632      4.077086      6.656833
  C      -3.545996      4.721684      5.987613
  C      -1.416790      1.844136      7.101993
  C      -0.936437      1.456933      5.705564
  N      -2.080871      0.969125      4.943433
  H      -3.233121      5.675154      5.522383
  H      -4.310404      4.986586      6.744382
  H      -1.496214      4.077865      5.959605
  H      -2.043482      4.623342      7.567895
  H      -0.161381      0.677138      5.788183
  H      -0.458953      2.321569      5.208190
  H      -1.679729      0.930303      7.652700
  H      -0.652135      2.393289      7.680384
  H      -5.175590      1.211215      8.728181
  H      -3.692647      0.344593      8.296119
  H      -4.285413      3.342942      8.079564
  H      -3.018446      2.577563      9.076853
  C      -5.113746      4.467548      4.143248
  C      -6.437760      4.751231      4.874140
  C      -7.158691      3.499553      5.346751
  O      -7.481362      2.668737      4.205157
  C      -8.724009      2.756129      3.683098
  N      -9.721741      3.292268      4.375135
  C     -10.935874      3.298314      3.780785
  N     -11.253937      2.851128      2.576943
  C     -10.220798      2.330041      1.842556
  C     -10.433898      1.873747      0.522338
  C      -9.350630      1.386295     -0.197285
  C      -8.083203      1.350331      0.398335
  N      -7.837950      1.764627      1.649055
  C      -8.895322      2.248009      2.362606
  C      -1.963569     -0.333828      4.279278
  C      -1.850764     -0.280156      2.745404
  C      -2.518883     -1.523563      2.169042
  O      -2.388682     -1.676979      0.734948
  C      -3.155509     -0.916904     -0.058585
  N      -3.895181      0.073538      0.441044
  C      -4.580738      0.838220     -0.442640
  N      -4.642846      0.708817     -1.752871
  C      -3.920413     -0.335762     -2.279979
  C      -3.932055     -0.583512     -3.668000
  C      -3.185511     -1.646225     -4.161919
  C      -2.444149     -2.437766     -3.267573
  N      -2.400580     -2.240565     -1.948489
  C      -3.130498     -1.202038     -1.463320
  C      -5.927852      0.075322      6.512868
  C      -5.479861     -1.372236      6.771419
  C      -6.409714     -2.399582      6.148082
  O      -6.228733     -2.405356      4.708048
  C      -7.232177     -1.989009      3.913504
  N      -8.346306     -1.487448      4.424135
  C      -9.322651     -1.142653      3.549096
  N      -9.309378     -1.260521      2.234302
  C      -8.151580     -1.755471      1.694430
  C      -8.019565     -1.903926      0.292745
  C      -6.826708     -2.396191     -0.216027
  C      -5.786897     -2.731778      0.670451
  N      -5.867495     -2.612240      1.997295
  C      -7.035987     -2.132877      2.498920
  H      -4.710428      5.424581      3.761658
  H      -5.311245      3.825249      3.274011
  H      -6.263788      5.397097      5.750449
  H      -7.098902      5.316767      4.197789
  H      -8.077661      3.745332      5.892444
  H      -6.507890      2.877624      5.976722
  H     -11.747187      3.729893      4.375747
  H     -11.438691      1.926862      0.102664
  H      -9.467145      1.034259     -1.223251
  H      -7.229762      0.973834     -0.168129
  H      -1.100383     -0.872277      4.706155
  H      -2.850868     -0.939194      4.532873
  H      -0.801306     -0.217094      2.420599
  H      -2.369819      0.616561      2.385141
  H      -3.586239     -1.551323      2.433920
  H      -2.050902     -2.436935      2.562976
  H      -5.148185      1.662475      0.002197
  H      -4.526493      0.064576     -4.313439
  H      -3.166568     -1.873045     -5.229182
  H      -1.854843     -3.278613     -3.646441
  H      -6.327691      0.157277      5.494843
  H      -6.753542      0.333031      7.204889
  H      -4.469897     -1.514356      6.352370
  H      -5.411434     -1.576738      7.852396
  H      -7.463653     -2.203479      6.385651
  H      -6.140820     -3.414825      6.472903
  H     -10.228454     -0.722896      3.998789
  H      -8.861248     -1.631314     -0.344147
  H      -6.679867     -2.521517     -1.289923
  H      -4.842651     -3.120858      0.277424
  N      -4.778388      1.269199      3.790427
  N      -5.447838      0.808980      2.796833
  H      -4.901757      0.297173      2.066516
  H      -6.376598      1.251318      2.501619
99
Coordinates from ORCA-job orca E -6533.133822698327
  N      -4.094901      3.837182      4.998235
  Mo     -3.828742      1.874005      5.179340
  N      -4.838992      1.033780      6.642744
  C      -4.332836      1.180763      8.005986
  C      -3.569451      2.492151      8.135530
  N      -2.650518      2.655618      6.979981
  C      -2.347730      4.077282      6.684531
  C      -3.550516      4.725734      6.023235
  C      -1.413368      1.842237      7.104684
  C      -0.933977      1.469688      5.703953
  N      -2.078560      0.985650      4.939716
  H      -3.240608      5.685435      5.569279
  H      -4.315750      4.980090      6.782807
  H      -1.499270      4.087618      5.986163
  H      -2.045936      4.614338      7.601150
  H      -0.156659      0.691387      5.778633
  H      -0.459408      2.339996      5.213755
  H      -1.673866      0.922832      7.646268
  H      -0.649150      2.386869      7.687528
  H      -5.171718      1.185537      8.726971
  H      -3.686255      0.326031      8.286745
  H      -4.284219      3.325378      8.100779
  H      -3.015084      2.551278      9.088597
  C      -5.111747      4.488920      4.169770
  C      -6.442548      4.769915      4.890950
  C      -7.174893      3.518723      5.349410
  O      -7.492290      2.693229      4.201927
  C      -8.730624      2.784586      3.669921
  N      -9.728981      3.336787      4.348308
  C     -10.938701      3.346979      3.744299
  N     -11.252213      2.888986      2.543011
  C     -10.218395      2.350804      1.822080
  C     -10.425427      1.881092      0.505397
  C      -9.341772      1.372299     -0.198680
  C      -8.080535      1.326721      0.408872
  N      -7.841025      1.754077      1.656335
  C      -8.897500      2.261980      2.353466
  C      -1.963980     -0.316067      4.273554
  C      -1.859101     -0.261955      2.739397
  C      -2.525610     -1.508279      2.167682
  O      -2.395091     -1.664161      0.734034
  C      -3.159680     -0.904259     -0.061249
  N      -3.895594      0.090473      0.435047
  C      -4.583372      0.849942     -0.451288
  N      -4.649470      0.713778     -1.760849
  C      -3.929870     -0.334348     -2.284127
  C      -3.946378     -0.590359     -3.670587
  C      -3.203369     -1.657570     -4.160212
  C      -2.460755     -2.445172     -3.263343
  N      -2.412752     -2.240067     -1.945597
  C      -3.138813     -1.196864     -1.464621
  C      -5.918395      0.064449      6.503101
  C      -5.464292     -1.381487      6.759656
  C      -6.393191     -2.412876      6.143053
  O      -6.215247     -2.427243      4.703060
  C      -7.218519     -2.007963      3.910075
  N      -8.323352     -1.488351      4.422588
  C      -9.300843     -1.140618      3.550307
  N      -9.296489     -1.270314      2.236602
  C      -8.147518     -1.783022      1.694224
  C      -8.025632     -1.944923      0.293231
  C      -6.844415     -2.463039     -0.217553
  C      -5.805505     -2.808787      0.665948
  N      -5.874346     -2.670945      1.991703
  C      -7.032214     -2.167742      2.495602
  H      -4.705269      5.448910      3.798605
  H      -5.303641      3.855183      3.294337
  H      -6.275411      5.410382      5.772405
  H      -7.095137      5.341826      4.211549
  H      -8.097615      3.766358      5.887859
  H      -6.533178      2.890893      5.982942
  H     -11.750936      3.791297      4.328926
  H     -11.426511      1.938723      0.077199
  H      -9.454280      1.007930     -1.220535
  H      -7.227337      0.927717     -0.142366
  H      -1.098756     -0.855075      4.695759
  H      -2.850007     -0.920617      4.532002
  H      -0.810959     -0.196056      2.410578
  H      -2.382298      0.633047      2.380048
  H      -3.593205     -1.539680      2.433217
  H      -2.053472     -2.418711      2.563006
  H      -5.146623      1.678865     -0.009516
  H      -4.541525      0.054968     -4.317943
  H      -3.188619     -1.891323     -5.225811
  H      -1.873834     -3.289347     -3.638768
  H      -6.318641      0.147994      5.485901
  H      -6.745112      0.315677      7.196153
  H      -4.455127     -1.520937      6.337601
  H      -5.391618     -1.584313      7.840429
  H      -7.446794     -2.217396      6.381765
  H      -6.122430     -3.425810      6.472808
  H     -10.198168     -0.704576      4.001129
  H      -8.866711     -1.666140     -0.341709
  H      -6.706087     -2.602133     -1.291036
  H      -4.871292     -3.219506      0.270994
  N      -4.769189      1.293985      3.785487
  N      -5.431969      0.844461      2.782592
  H      -4.877922      0.350993      2.046218
  H      -6.350554      1.300557      2.482879
99
Coordinates from ORCA-job orca E -6533.133817080140
  N      -4.099002      3.839395      4.998219
  Mo     -3.828559      1.876537      5.176087
  N      -4.838837      1.032080      6.637286
  C      -4.334026      1.177711      8.001001
  C      -3.573312      2.490408      8.133506
  N      -2.653744      2.657392      6.979147
  C      -2.352951      4.079931      6.685654
  C      -3.556438      4.727115      6.024570
  C      -1.415260      1.846288      7.104195
  C      -0.933479      1.477374      5.703554
  N      -2.076124      0.992030      4.937507
  H      -3.248415      5.688120      5.572115
  H      -4.322325      4.978916      6.784208
  H      -1.503903      4.092633      5.988004
  H      -2.052882      4.616310      7.603179
  H      -0.154545      0.700595      5.777762
  H      -0.460279      2.349598      5.215316
  H      -1.674602      0.925306      7.643991
  H      -0.652746      2.391518      7.688894
  H      -5.173138      1.179684      8.721204
  H      -3.686324      0.323871      8.280597
  H      -4.289664      3.322228      8.099481
  H      -3.020071      2.549158      9.087125
  C      -5.119628      4.490836      4.174353
  C      -6.447267      4.771032      4.901558
  C      -7.176607      3.519081      5.362638
  O      -7.496544      2.693716      4.215742
  C      -8.735958      2.784186      3.685940
  N      -9.734609      3.333089      4.366463
  C     -10.945152      3.342096      3.763799
  N     -11.259100      2.886085      2.561814
  C     -10.224863      2.351832      1.838532
  C     -10.431888      1.884793      0.520976
  C      -9.347526      1.381017     -0.185664
  C      -8.085312      1.337722      0.420128
  N      -7.845975      1.761999      1.668779
  C      -8.903188      2.264794      2.368252
  C      -1.958440     -0.309559      4.271712
  C      -1.853152     -0.256835      2.737611
  C      -2.515015     -1.506927      2.168220
  O      -2.381315     -1.667565      0.735369
  C      -3.146598     -0.913930     -0.065024
  N      -3.886112      0.081591      0.424320
  C      -4.572667      0.834989     -0.468167
  N      -4.634336      0.692516     -1.777235
  C      -3.911169     -0.356779     -2.293169
  C      -3.923348     -0.620055     -3.678242
  C      -3.176670     -1.688249     -4.160263
  C      -2.434636     -2.469356     -3.257165
  N      -2.390682     -2.257085     -1.940425
  C      -3.120728     -1.213322     -1.466861
  C      -5.916489      0.061233      6.495442
  C      -5.459666     -1.384834      6.747378
  C      -6.388823     -2.415800      6.130460
  O      -6.216489     -2.424181      4.689827
  C      -7.223450     -2.002089      3.903320
  N      -8.325531     -1.484268      4.423323
  C      -9.307553     -1.133494      3.557365
  N      -9.309940     -1.258121      2.243212
  C      -8.163604     -1.768617      1.693189
  C      -8.048876     -1.925493      0.291038
  C      -6.870488     -2.442362     -0.227438
  C      -5.827277     -2.791705      0.649578
  N      -5.889044     -2.658010      1.976041
  C      -7.044181     -2.156344      2.487428
  H      -4.715136      5.451200      3.802095
  H      -5.315089      3.857754      3.299555
  H      -6.276649      5.411163      5.782593
  H      -7.103451      5.342717      4.225382
  H      -8.097824      3.765541      5.904260
  H      -6.531841      2.891734      5.993675
  H     -11.757521      3.783503      4.350304
  H     -11.433571      1.940564      0.094143
  H      -9.460310      1.018946     -1.208220
  H      -7.231687      0.942643     -0.133141
  H      -1.092088     -0.846239      4.694692
  H      -2.842961     -0.916430      4.529894
  H      -0.805191     -0.187579      2.408953
  H      -2.379539      0.635626      2.376660
  H      -3.583164     -1.541158      2.431778
  H      -2.040265     -2.414585      2.566973
  H      -5.138432      1.665276     -0.032612
  H      -4.518135      0.020649     -4.330646
  H      -3.158550     -1.927725     -5.224544
  H      -1.844587     -3.314062     -3.626452
  H      -6.317938      0.147040      5.478609
  H      -6.743221      0.309255      7.189970
  H      -4.451341     -1.521899      6.322476
  H      -5.383932     -1.590211      7.827484
  H      -7.441978     -2.222967      6.373576
  H      -6.115296     -3.429635      6.455362
  H     -10.202647     -0.699411      4.014547
  H      -8.893141     -1.644640     -0.338888
  H      -6.737767     -2.577793     -1.301955
  H      -4.895562     -3.201855      0.248285
  N      -4.764102      1.296064      3.779164
  N      -5.423416      0.846362      2.773789
  H      -4.866346      0.357852      2.036339
  H      -6.344988      1.296829      2.474961
99
Coordinates from ORCA-job orca E -6533.133826955850
  N      -4.097433      3.839474      5.000138
  Mo     -3.828259      1.876473      5.178357
  N      -4.838453      1.032785      6.639835
  C      -4.333253      1.178369      8.003514
  C      -3.571925      2.490727      8.135561
  N      -2.652494      2.657229      6.980913
  C      -2.351490      4.079717      6.687592
  C      -3.554873      4.727261      6.026627
  C      -1.414230      1.845617      7.105407
  C      -0.933271      1.475936      5.704534
  N      -2.076494      0.990979      4.938868
  H      -3.246379      5.688120      5.574253
  H      -4.320803      4.979224      6.786209
  H      -1.502586      4.092283      5.989771
  H      -2.051089      4.615921      7.605139
  H      -0.154768      0.698765      5.778819
  H      -0.459704      2.347678      5.215847
  H      -1.673682      0.924970      7.645512
  H      -0.651258      2.390635      7.689588
  H      -5.172406      1.180777      8.723986
  H      -3.685652      0.324224      8.283222
  H      -4.287893      3.322898      8.101539
  H      -3.018310      2.549301      9.089036
  C      -5.116403      4.490866      4.174155
  C      -6.446330      4.768434      4.898059
  C      -7.175265      3.515058      5.355965
  O      -7.493219      2.690816      4.207721
  C      -8.731999      2.782491      3.676801
  N      -9.730181      3.332694      4.357012
  C     -10.940289      3.343818      3.753701
  N     -11.254275      2.888749      2.551406
  C     -10.220624      2.352720      1.828643
  C     -10.428134      1.886247      0.510925
  C      -9.344564      1.380161     -0.195159
  C      -8.082895      1.333831      0.411458
  N      -7.842981      1.757677      1.660061
  C      -8.899375      2.263103      2.359114
  C      -1.959723     -0.310912      4.273467
  C      -1.855478     -0.258347      2.739244
  C      -2.520554     -1.506659      2.170025
  O      -2.389530     -1.666440      0.736870
  C      -3.155263     -0.910701     -0.061147
  N      -3.892057      0.085348      0.431165
  C      -4.580039      0.840812     -0.458373
  N      -4.645708      0.699614     -1.767410
  C      -3.925417     -0.350123     -2.286446
  C      -3.941654     -0.611727     -3.671829
  C      -3.197705     -1.680316     -4.157126
  C      -2.454425     -2.463604     -3.257029
  N      -2.406661     -2.253079     -1.940109
  C      -3.133800     -1.208689     -1.463365
  C      -5.916403      0.062135      6.498164
  C      -5.460066     -1.383735      6.751397
  C      -6.388474     -2.414989      6.133847
  O      -6.213160     -2.425296      4.693544
  C      -7.218440     -2.004677      3.903913
  N      -8.322231     -1.486841      4.420353
  C      -9.301954     -1.137335      3.551306
  N      -9.300584     -1.263362      2.237246
  C      -8.152582     -1.773978      1.690855
  C      -8.033711     -1.931733      0.289123
  C      -6.853543     -2.448183     -0.225712
  C      -5.812637     -2.796368      0.654513
  N      -5.878452     -2.661958      1.980760
  C      -7.035293     -2.160481      2.488610
  H      -4.712068      5.452103      3.803930
  H      -5.308678      3.858297      3.298154
  H      -6.278751      5.407825      5.780203
  H      -7.101319      5.340128      4.220764
  H      -8.097432      3.760015      5.896629
  H      -6.531014      2.887419      5.987170
  H     -11.752286      3.786645      4.339728
  H     -11.429502      1.944326      0.083495
  H      -9.457464      1.018449     -1.217873
  H      -7.229835      0.937096     -0.141510
  H      -1.093314     -0.847909      4.695857
  H      -2.844441     -0.917048      4.532673
  H      -0.807526     -0.191532      2.409994
  H      -2.379992      0.635422      2.378830
  H      -3.588248     -1.538800      2.435282
  H      -2.047364     -2.415611      2.567663
  H      -5.143594      1.671290     -0.020057
  H      -4.537242      0.030553     -4.321824
  H      -3.182714     -1.918387     -5.221765
  H      -1.866581     -3.308685     -3.629000
  H      -6.317055      0.147285      5.481172
  H      -6.743395      0.310672      7.191985
  H      -4.451229     -1.521037      6.327847
  H      -5.385837     -1.588645      7.831668
  H      -7.441960     -2.221537      6.374800
  H      -6.115817     -3.428402      6.460562
  H     -10.198416     -0.703006      4.005461
  H      -8.876279     -1.651452     -0.343206
  H      -6.717482     -2.584029     -1.299848
  H      -4.879398     -3.206135      0.256312
  N      -4.766509      1.297266      3.782704
  N      -5.427813      0.848589      2.778298
  H      -4.872441      0.356366      2.041896
  H      -6.346405      1.304418      2.477838
99
Coordinates from ORCA-job orca E -6533.133826562648
  N      -4.098140      3.837207      4.999169
  Mo     -3.829084      1.874300      5.178706
  N      -4.838701      1.031509      6.641153
  C      -4.333244      1.178175      8.004646
  C      -3.571966      2.490644      8.135519
  N      -2.652831      2.656216      6.980481
  C      -2.351680      4.078441      6.686082
  C      -3.555078      4.725703      6.024866
  C      -1.414667      1.844495      7.105214
  C      -0.933981      1.474163      5.704407
  N      -2.077283      0.988861      4.939076
  H      -3.246397      5.686173      5.571669
  H      -4.320790      4.978500      6.784457
  H      -1.502950      4.090362      5.988040
  H      -2.050949      4.615265      7.603178
  H      -0.155377      0.697123      5.778822
  H      -0.460613      2.345731      5.215297
  H      -1.674186      0.924161      7.645788
  H      -0.651538      2.389693      7.689021
  H      -5.172293      1.181074      8.725325
  H      -3.685476      0.324277      8.284895
  H      -4.287974      3.322796      8.101041
  H      -3.018097      2.549935      9.088836
  C      -5.116248      4.488557      4.171967
  C      -6.445987      4.769894      4.894929
  C      -7.177890      3.518932      5.354547
  O      -7.496399      2.693399      4.207434
  C      -8.733912      2.787719      3.674043
  N      -9.731885      3.341954      4.351302
  C     -10.940760      3.355246      3.745643
  N     -11.253694      2.898479      2.543730
  C     -10.220122      2.358181      1.824006
  C     -10.426395      1.889116      0.507007
  C      -9.342843      1.378481     -0.195864
  C      -8.082338      1.330562      0.413099
  N      -7.843639      1.756850      1.661104
  C      -8.900096      2.266374      2.357036
  C      -1.960294     -0.312772      4.273114
  C      -1.856564     -0.259176      2.738841
  C      -2.522111     -1.506864      2.168850
  O      -2.391865     -1.665291      0.735489
  C      -3.157359     -0.907863     -0.061171
  N      -3.893019      0.088180      0.432953
  C      -4.580908      0.845490     -0.455095
  N      -4.647472      0.706163     -1.764286
  C      -3.928463     -0.343553     -2.285233
  C      -3.945987     -0.603353     -3.670932
  C      -3.203585     -1.672148     -4.158155
  C      -2.460519     -2.457365     -3.259623
  N      -2.411544     -2.248585     -1.942438
  C      -3.137192     -1.204040     -1.463808
  C      -5.916272      0.060335      6.500416
  C      -5.459314     -1.385146      6.754833
  C      -6.387062     -2.417428      6.137945
  O      -6.210937     -2.429324      4.697739
  C      -7.215536     -2.009292      3.906911
  N      -8.319715     -1.490857      4.421909
  C      -9.298546     -1.141769      3.551667
  N      -9.295774     -1.268388      2.237653
  C      -8.147276     -1.779496      1.692738
  C      -8.026743     -1.937568      0.291172
  C      -6.846156     -2.454576     -0.222110
  C      -5.806525     -2.803141      0.659449
  N      -5.873929     -2.668421      1.985591
  C      -7.031074     -2.166191      2.491899
  H      -4.710318      5.448517      3.800194
  H      -5.309243      3.854813      3.296906
  H      -6.277584      5.410485      5.776051
  H      -7.099469      5.341749      4.216342
  H      -8.100036      3.766761      5.893913
  H      -6.535524      2.891126      5.987425
  H     -11.752699      3.801291      4.329318
  H     -11.426865      1.948600      0.077673
  H      -9.454829      1.014524     -1.217921
  H      -7.229250      0.930351     -0.137366
  H      -1.093504     -0.849579      4.694849
  H      -2.844644     -0.919491      4.532371
  H      -0.808726     -0.192371      2.409256
  H      -2.380894      0.635058      2.379260
  H      -3.589641     -1.538944      2.434516
  H      -2.048952     -2.416234      2.565446
  H      -5.143694      1.675680     -0.015234
  H      -4.541398      0.040374     -4.319667
  H      -3.189744     -1.908957     -5.223108
  H      -1.873947     -3.302625     -3.633111
  H      -6.317143      0.144554      5.483454
  H      -6.743211      0.309079      7.194160
  H      -4.450351     -1.522344      6.331563
  H      -5.385100     -1.589100      7.835307
  H      -7.440745     -2.224129      6.378167
  H      -6.114168     -3.430394      6.465898
  H     -10.195452     -0.707145      4.004695
  H      -8.868358     -1.656952     -0.342292
  H      -6.708775     -2.590581     -1.296075
  H      -4.873081     -3.213581      0.262468
  N      -4.768005      1.293931      3.783991
  N      -5.430093      0.844373      2.780467
  H      -4.875109      0.353419      2.042881
  H      -6.350388      1.297985      2.482030
99
Coordinates from ORCA-job orca E -6533.133827212027
  N      -4.097934      3.838226      4.999540
  Mo     -3.828444      1.875323      5.178470
  N      -4.838422      1.031949      6.640316
  C      -4.333322      1.178160      8.003951
  C      -3.572342      2.490748      8.135510
  N      -2.652909      2.656927      6.980817
  C      -2.352006      4.079338      6.686946
  C      -3.555392      4.726511      6.025630
  C      -1.414582      1.845455      7.105652
  C      -0.933414      1.475703      5.704887
  N      -2.076365      0.990317      4.939068
  H      -3.246927      5.687197      5.572828
  H      -4.321337      4.978810      6.785092
  H      -1.503061      4.091706      5.989173
  H      -2.051697      4.615941      7.604292
  H      -0.154627      0.698828      5.779329
  H      -0.460115      2.347563      5.216174
  H      -1.674014      0.924855      7.645867
  H      -0.651745      2.390663      7.689844
  H      -5.172495      1.180622      8.724392
  H      -3.685510      0.324298      8.283999
  H      -4.288495      3.322748      8.101094
  H      -3.018769      2.549834      9.088978
  C      -5.116652      4.489374      4.172994
  C      -6.446457      4.768393      4.896594
  C      -7.176236      3.515848      5.355343
  O      -7.494357      2.690988      4.207607
  C      -8.732424      2.784208      3.675284
  N      -9.730697      3.335779      4.354256
  C     -10.940206      3.347833      3.749764
  N     -11.253547      2.892209      2.547504
  C     -10.219755      2.354658      1.826064
  C     -10.426534      1.887189      0.508590
  C      -9.342762      1.379682     -0.196164
  C      -8.081537      1.333233      0.411400
  N      -7.842353      1.757924      1.659846
  C      -8.899022      2.264385      2.357693
  C      -1.958878     -0.311366      4.273279
  C      -1.855296     -0.258160      2.738976
  C      -2.520571     -1.506237      2.169444
  O      -2.389921     -1.665566      0.736212
  C      -3.155483     -0.909118     -0.061250
  N      -3.891502      0.087168      0.431799
  C      -4.579305      0.843511     -0.457110
  N      -4.645525      0.702989     -1.766185
  C      -3.926163     -0.347035     -2.285997
  C      -3.943354     -0.608158     -3.671439
  C      -3.200526     -1.677213     -4.157494
  C      -2.457372     -2.461355     -3.258063
  N      -2.408750     -2.251316     -1.941078
  C      -3.134838     -1.206538     -1.463594
  C      -5.916116      0.060965      6.498994
  C      -5.459395     -1.384730      6.752647
  C      -6.387719     -2.416501      6.135736
  O      -6.212694     -2.427515      4.695407
  C      -7.217856     -2.006708      3.905733
  N      -8.321443     -1.488357      4.422062
  C      -9.300973     -1.138470      3.552932
  N      -9.299450     -1.264272      2.238846
  C      -8.151656     -1.775501      1.692584
  C      -8.032566     -1.933015      0.290833
  C      -6.852680     -2.450241     -0.223820
  C      -5.812293     -2.799598      0.656573
  N      -5.878323     -2.665368      1.982824
  C      -7.034793     -2.162929      2.490474
  H      -4.711799      5.450096      3.801989
  H      -5.309193      3.856161      3.297464
  H      -6.278563      5.408381      5.778247
  H      -7.101021      5.339967      4.218788
  H      -8.098358      3.761753      5.895647
  H      -6.532464      2.888280      5.987077
  H     -11.752320      3.791764      4.334786
  H     -11.427517      1.945605      0.080323
  H      -9.455098      1.017146     -1.218656
  H      -7.228283      0.935592     -0.140631
  H      -1.091776     -0.847681      4.695063
  H      -2.842907     -0.918443      4.532717
  H      -0.807481     -0.191247      2.409353
  H      -2.379828      0.635834      2.379144
  H      -3.588206     -1.538423      2.434869
  H      -2.047340     -2.415341      2.566674
  H      -5.142331      1.674005     -0.018145
  H      -4.538829      0.034786     -4.320907
  H      -3.186389     -1.915006     -5.222211
  H      -1.870422     -3.306791     -3.630618
  H      -6.316939      0.145738      5.482031
  H      -6.743090      0.309471      7.192843
  H      -4.450646     -1.522000      6.328893
  H      -5.384787     -1.589172      7.832996
  H      -7.441213     -2.223166      6.376817
  H      -6.114778     -3.429719      6.462856
  H     -10.197345     -0.703910      4.007057
  H      -8.874724     -1.651863     -0.341658
  H      -6.716394     -2.585837     -1.297959
  H      -4.879438     -3.210352      0.258524
  N      -4.766886      1.295435      3.783246
  N      -5.428621      0.846360      2.779286
  H      -4.873359      0.354914      2.042237
  H      -6.347934      1.301226      2.479722
99
Coordinates from ORCA-job orca E -6533.133827020926
  N      -4.098209      3.839137      5.000360
  Mo     -3.828550      1.876150      5.178415
  N      -4.838749      1.032027      6.639661
  C      -4.334003      1.177746      8.003503
  C      -3.573162      2.490352      8.135791
  N      -2.653485      2.657119      6.981359
  C      -2.352645      4.079674      6.688223
  C      -3.556002      4.726984      6.027019
  C      -1.415097      1.845718      7.106031
  C      -0.933621      1.476726      5.705163
  N      -2.076348      0.991454      4.938911
  H      -3.247626      5.687981      5.574815
  H      -4.322130      4.978739      6.786490
  H      -1.503603      4.092469      5.990579
  H      -2.052539      4.615865      7.605879
  H      -0.154687      0.699988      5.779418
  H      -0.460405      2.348894      5.216926
  H      -1.674555      0.924833      7.645712
  H      -0.652430      2.390696      7.690648
  H      -5.173381      1.179804      8.723747
  H      -3.686136      0.323839      8.283379
  H      -4.289372      3.322312      8.101580
  H      -3.019782      2.549059      9.089404
  C      -5.117272      4.490505      4.174415
  C      -6.446950      4.768834      4.898527
  C      -7.176144      3.515896      5.357161
  O      -7.494601      2.691322      4.209318
  C      -8.732846      2.784681      3.677461
  N      -9.730871      3.336021      4.356987
  C     -10.940551      3.348441      3.752861
  N     -11.254273      2.893446      2.550467
  C     -10.220724      2.356229      1.828438
  C     -10.427906      1.889521      0.510746
  C      -9.344345      1.382447     -0.194622
  C      -8.082948      1.335585      0.412556
  N      -7.843380      1.759490      1.661194
  C      -8.899838      2.265586      2.359629
  C      -1.958780     -0.310321      4.273315
  C      -1.856098     -0.257520      2.738918
  C      -2.522021     -1.505646      2.170287
  O      -2.391655     -1.666166      0.737159
  C      -3.157408     -0.910624     -0.060996
  N      -3.893488      0.086159      0.431012
  C      -4.581386      0.841483     -0.458695
  N      -4.647592      0.699620     -1.767632
  C      -3.928219     -0.350932     -2.286339
  C      -3.945344     -0.613459     -3.671514
  C      -3.202450     -1.682979     -4.156459
  C      -2.459324     -2.466179     -3.256211
  N      -2.410725     -2.254777     -1.939431
  C      -3.136849     -1.209525     -1.463035
  C      -5.916141      0.060796      6.497637
  C      -5.459100     -1.384821      6.751031
  C      -6.386854     -2.416714      6.133518
  O      -6.210898     -2.427719      4.693306
  C      -7.215348     -2.006484      3.902954
  N      -8.319095     -1.487725      4.418515
  C      -9.297837     -1.137362      3.548688
  N      -9.295405     -1.263090      2.234593
  C      -8.147425     -1.774756      1.689127
  C      -8.027371     -1.932234      0.287448
  C      -6.847314     -2.449882     -0.226375
  C      -5.807728     -2.799785      0.654751
  N      -5.874704     -2.665634      1.980968
  C      -7.031309     -2.162683      2.487803
  H      -4.712754      5.451526      3.803812
  H      -5.309882      3.857724      3.298647
  H      -6.278991      5.408628      5.780301
  H      -7.101905      5.340386      4.221092
  H      -8.098059      3.761308      5.898037
  H      -6.531853      2.888299      5.988329
  H     -11.752452      3.792220      4.338302
  H     -11.429022      1.948194      0.082804
  H      -9.456982      1.020510     -1.217302
  H      -7.229867      0.938260     -0.139963
  H      -1.091269     -0.846261      4.694719
  H      -2.842461     -0.917600      4.533450
  H      -0.808419     -0.191097      2.408758
  H      -2.380494      0.636534      2.379044
  H      -3.589601     -1.537289      2.435935
  H      -2.049050     -2.414623      2.568102
  H      -5.144281      1.672531     -0.020586
  H      -4.540787      0.028813     -4.321653
  H      -3.188259     -1.921841     -5.220936
  H      -1.872311     -3.311958     -3.627886
  H      -6.316657      0.145796      5.480594
  H      -6.743397      0.308809      7.191311
  H      -4.450144     -1.521704      6.327642
  H      -5.384858     -1.589516      7.831353
  H      -7.440520     -2.223596      6.373965
  H      -6.113914     -3.429872      6.460789
  H     -10.194376     -0.702505      4.002191
  H      -8.868952     -1.650727     -0.345644
  H      -6.710229     -2.585383     -1.300436
  H      -4.874763     -3.210922      0.257359
  N      -4.766593      1.296719      3.782738
  N      -5.428172      0.848053      2.778448
  H      -4.872646      0.357014      2.041316
  H      -6.347229      1.303311      2.478690
99
Coordinates from ORCA-job orca E -6533.133827846230
  N      -4.098418      3.838549      5.000134
  Mo     -3.828408      1.875636      5.178494
  N      -4.838382      1.031523      6.639931
  C      -4.333618      1.177498      8.003726
  C      -3.573085      2.490292      8.135824
  N      -2.653501      2.657092      6.981330
  C      -2.352935      4.079670      6.687995
  C      -3.556402      4.726656      6.026660
  C      -1.414972      1.845911      7.106079
  C      -0.933414      1.476945      5.705244
  N      -2.075981      0.991336      4.938974
  H      -3.248188      5.687642      5.574306
  H      -4.322590      4.978413      6.786069
  H      -1.503881      4.092536      5.990363
  H      -2.052945      4.616052      7.605576
  H      -0.154254      0.700437      5.779536
  H      -0.460446      2.349222      5.216968
  H      -1.674292      0.925005      7.645806
  H      -0.652403      2.391054      7.690679
  H      -5.172957      1.179449      8.723997
  H      -3.685553      0.323778      8.283667
  H      -4.289486      3.322088      8.101529
  H      -3.019679      2.549248      9.089404
  C      -5.117375      4.489653      4.173824
  C      -6.447218      4.768229      4.897556
  C      -7.176613      3.515433      5.356274
  O      -7.494871      2.690663      4.208507
  C      -8.732797      2.784503      3.675973
  N      -9.730947      3.336348      4.354904
  C     -10.940325      3.349124      3.750179
  N     -11.253639      2.893984      2.547726
  C     -10.219932      2.356262      1.826295
  C     -10.426639      1.889311      0.508618
  C      -9.342912      1.381722     -0.196125
  C      -8.081798      1.334629      0.411633
  N      -7.842689      1.758751      1.660287
  C      -8.899319      2.265303      2.358114
  C      -1.957970     -0.310393      4.273328
  C      -1.855687     -0.257445      2.738896
  C      -2.521621     -1.505577      2.170277
  O      -2.391403     -1.665975      0.737128
  C      -3.156935     -0.909978     -0.060772
  N      -3.892434      0.087065      0.431586
  C      -4.580039      0.842988     -0.457831
  N      -4.646476      0.701506     -1.766793
  C      -3.927736     -0.349314     -2.285871
  C      -3.945244     -0.611518     -3.671094
  C      -3.203038     -1.681362     -4.156403
  C      -2.460200     -2.465170     -3.256452
  N      -2.411263     -2.254090     -1.939626
  C      -3.136731     -1.208551     -1.462878
  C      -5.915612      0.060094      6.498098
  C      -5.458246     -1.385452      6.751373
  C      -6.386145     -2.417560      6.134396
  O      -6.211067     -2.428533      4.694086
  C      -7.215956     -2.007138      3.904393
  N      -8.319442     -1.488568      4.420685
  C      -9.298650     -1.137953      3.551476
  N      -9.296851     -1.263145      2.237331
  C      -8.149129     -1.774599      1.691118
  C      -8.029711     -1.931451      0.289314
  C      -6.849918     -2.448940     -0.225254
  C      -5.809975     -2.799369      0.655250
  N      -5.876349     -2.665790      1.981548
  C      -7.032657     -2.162922      2.489103
  H      -4.712779      5.450571      3.803045
  H      -5.309793      3.856627      3.298166
  H      -6.279450      5.408230      5.779220
  H      -7.101981      5.339656      4.219823
  H      -8.098629      3.761008      5.896907
  H      -6.532496      2.887897      5.987681
  H     -11.752339      3.793330      4.335140
  H     -11.427538      1.948190      0.080210
  H      -9.455191      1.019583     -1.218767
  H      -7.228576      0.936942     -0.140412
  H      -1.090038     -0.845855      4.694443
  H      -2.841231     -0.918202      4.533691
  H      -0.808089     -0.190921      2.408488
  H      -2.380189      0.636636      2.379233
  H      -3.589178     -1.537279      2.436003
  H      -2.048569     -2.414556      2.567984
  H      -5.142534      1.674138     -0.019420
  H      -4.540450      0.031230     -4.320999
  H      -3.189190     -1.920013     -5.220935
  H      -1.873735     -3.311202     -3.628404
  H      -6.316390      0.145051      5.481145
  H      -6.742761      0.307945      7.191963
  H      -4.449478     -1.522233      6.327495
  H      -5.383410     -1.590039      7.831679
  H      -7.439724     -2.224679      6.375472
  H      -6.112785     -3.430668      6.461489
  H     -10.194994     -0.703337      4.005600
  H      -8.871553     -1.649615     -0.343295
  H      -6.713294     -2.583930     -1.299430
  H      -4.877255     -3.210476      0.257257
  N      -4.766517      1.295897      3.783003
  N      -5.428332      0.847081      2.778929
  H      -4.872915      0.356232      2.041546
  H      -6.347455      1.302309      2.479397
99
Coordinates from ORCA-job orca E -6533.133827859218
  N      -4.098569      3.838243      4.999992
  Mo     -3.828252      1.875357      5.178454
  N      -4.838293      1.031133      6.639797
  C      -4.333831      1.177288      8.003678
  C      -3.573607      2.490248      8.135828
  N      -2.653850      2.657123      6.981488
  C      -2.353410      4.079731      6.688147
  C      -3.556823      4.726509      6.026523
  C      -1.415247      1.846083      7.106467
  C      -0.933306      1.477375      5.705707
  N      -2.075531      0.991532      4.939043
  H      -3.248656      5.687495      5.574137
  H      -4.323164      4.978250      6.785779
  H      -1.504205      4.092691      5.990703
  H      -2.053688      4.616198      7.605763
  H      -0.153910      0.701113      5.780096
  H      -0.460497      2.349857      5.217640
  H      -1.674590      0.925075      7.646020
  H      -0.652886      2.391260      7.691315
  H      -5.173306      1.179098      8.723779
  H      -3.685639      0.323733      8.283797
  H      -4.290161      3.321900      8.101316
  H      -3.020382      2.549388      9.089497
  C      -5.117523      4.489171      4.173526
  C      -6.447380      4.767811      4.897205
  C      -7.176582      3.515014      5.356203
  O      -7.494944      2.690054      4.208601
  C      -8.732633      2.784639      3.675637
  N      -9.730775      3.336656      4.354440
  C     -10.940022      3.349853      3.749462
  N     -11.253234      2.894853      2.546927
  C     -10.219525      2.356941      1.825648
  C     -10.426133      1.890046      0.507936
  C      -9.342385      1.382335     -0.196673
  C      -8.081320      1.335191      0.411201
  N      -7.842316      1.759221      1.659894
  C      -8.899000      2.265732      2.357651
  C      -1.956914     -0.310118      4.273290
  C      -1.855605     -0.257005      2.738763
  C      -2.521946     -1.505030      2.170379
  O      -2.391932     -1.665697      0.737244
  C      -3.157295     -0.909583     -0.060682
  N      -3.892412      0.087765      0.431657
  C      -4.579832      0.843852     -0.457752
  N      -4.646429      0.702283     -1.766693
  C      -3.928147     -0.348875     -2.285749
  C      -3.945966     -0.611260     -3.670922
  C      -3.204298     -1.681512     -4.156193
  C      -2.461691     -2.465523     -3.256244
  N      -2.412480     -2.254285     -1.939443
  C      -3.137410     -1.208349     -1.462743
  C      -5.915374      0.059548      6.497845
  C      -5.457857     -1.385918      6.751299
  C      -6.385757     -2.418291      6.134718
  O      -6.210958     -2.429698      4.694385
  C      -7.215734     -2.007926      3.904763
  N      -8.319031     -1.489018      4.421102
  C      -9.298081     -1.137882      3.551910
  N      -9.296232     -1.262736      2.237735
  C      -8.148736     -1.774656      1.691491
  C      -8.029278     -1.931238      0.289652
  C      -6.849732     -2.449238     -0.224923
  C      -5.810064     -2.800521      0.655589
  N      -5.876494     -2.667207      1.981909
  C      -7.032523     -2.163732      2.489459
  H      -4.712957      5.450047      3.802605
  H      -5.309886      3.855975      3.297963
  H      -6.279663      5.408040      5.778710
  H      -7.102216      5.339013      4.219351
  H      -8.098515      3.760554      5.896992
  H      -6.532270      2.887597      5.987518
  H     -11.752029      3.794232      4.334293
  H     -11.426966      1.949093      0.079396
  H      -9.454572      1.020215     -1.219333
  H      -7.228069      0.937519     -0.140809
  H      -1.088225     -0.844817      4.693783
  H      -2.839462     -0.918743      4.534210
  H      -0.808182     -0.190622      2.407781
  H      -2.380119      0.637215      2.379488
  H      -3.589479     -1.536488      2.436229
  H      -2.049062     -2.414065      2.568176
  H      -5.142087      1.675160     -0.019329
  H      -4.540994      0.031646     -4.320835
  H      -3.190726     -1.920314     -5.220695
  H      -1.875676     -3.311889     -3.628150
  H      -6.316049      0.144401      5.480844
  H      -6.742651      0.307307      7.191594
  H      -4.449153     -1.522717      6.327275
  H      -5.382791     -1.590269      7.831636
  H      -7.439321     -2.225484      6.375947
  H      -6.112200     -3.431277      6.462016
  H     -10.194274     -0.703009      4.006085
  H      -8.870901     -1.648767     -0.342964
  H      -6.713041     -2.583995     -1.299119
  H      -4.877594     -3.212183      0.257601
  N      -4.766290      1.295507      3.782975
  N      -5.428391      0.846776      2.779034
  H      -4.873043      0.356281      2.041311
  H      -6.347547      1.302069      2.479768
