89
Coordinates from ORCA-job orca E -6140.484220560825
  N      -2.830553      0.631898      5.065732
  Mo     -3.506188      2.511168      5.048774
  N      -5.116823      2.288066      6.158164
  C      -4.970046      2.420332      7.587511
  C      -3.636170      1.794026      8.002872
  N      -2.564437      2.283193      7.120372
  C      -1.508049      1.276926      6.990583
  C      -2.027791      0.103362      6.144809
  C      -2.038758      3.575725      7.597927
  C      -1.992260      4.556853      6.406569
  N      -3.203214      4.347960      5.656957
  H      -1.162801     -0.456962      5.758724
  H      -2.608440     -0.598100      6.766047
  H      -0.670386      1.738947      6.458960
  H      -1.164591      0.927318      7.973897
  H      -1.888909      5.584389      6.773375
  H      -1.129402      4.323144      5.771118
  H      -2.723214      3.983387      8.346372
  H      -1.051858      3.459383      8.055644
  H      -5.781859      1.916721      8.131847
  H      -4.993801      3.483634      7.880571
  H      -3.730028      0.715039      7.871186
  H      -3.406541      2.001522      9.054627
  C      -2.626871     -0.020642      3.800302
  C      -3.579766     -1.212172      3.547668
  C      -4.595943     -0.943955      2.466752
  N      -4.587916      0.259118      1.887673
  C      -5.460619      0.474502      0.899924
  N      -6.313545     -0.364249      0.393179
  C      -6.377457     -1.593818      0.974533
  C      -7.302073     -2.529246      0.494037
  C      -7.385039     -3.774492      1.074181
  C      -6.549639     -4.116588      2.140284
  C      -5.629707     -3.220647      2.628114
  C      -5.514928     -1.938625      2.055759
  C      -4.232244      5.316890      5.856536
  C      -4.152068      6.496846      4.841103
  C      -4.314752      5.986215      3.450016
  N      -5.575398      5.779500      3.058078
  C      -5.773442      5.312787      1.833948
  N      -4.872257      5.006326      0.932072
  C      -3.569887      5.216811      1.285958
  C      -2.562965      4.942369      0.350823
  C      -1.244430      5.179113      0.667468
  C      -0.900348      5.680464      1.923910
  C      -1.866403      5.942588      2.865402
  C      -3.226034      5.719798      2.576281
  C      -6.430101      1.916254      5.707007
  C      -6.324945      0.685685      4.776266
  C      -7.308870      0.712340      3.657269
  N      -7.288528      1.828809      2.928960
  C      -8.141945      1.925098      1.911266
  N      -9.032539      1.054802      1.540636
  C      -9.084490     -0.101597      2.248250
  C     -10.022561     -1.078504      1.878182
  C     -10.096687     -2.259316      2.573384
  C      -9.238459     -2.500203      3.651856
  C      -8.314962     -1.562460      4.036972
  C      -8.213933     -0.333707      3.353487
  H      -2.810848      0.711490      3.011096
  H      -1.583571     -0.368859      3.706480
  H      -4.104680     -1.459415      4.475895
  H      -3.008130     -2.097431      3.256072
  H      -5.424100      1.462148      0.449706
  H      -7.934761     -2.237839     -0.328714
  H      -8.096511     -4.493667      0.700740
  H      -6.627345     -5.097531      2.582643
  H      -4.987083     -3.494962      3.449857
  H      -5.204311      4.831778      5.697625
  H      -4.195901      5.753498      6.866501
  H      -4.975679      7.176229      5.062905
  H      -3.205776      7.020175      4.964777
  H      -6.809704      5.166704      1.545123
  H      -2.856721      4.559758     -0.614820
  H      -0.472965      4.978659     -0.059371
  H       0.137357      5.862568      2.155502
  H      -1.579563      6.326851      3.831071
  H      -7.103365      1.688795      6.547259
  H      -6.894757      2.740133      5.139010
  H      -5.321054      0.779169      4.347728
  H      -6.398296     -0.233707      5.356727
  H      -8.082229      2.845724      1.338756
  H     -10.667186     -0.864280      1.041063
  H     -10.818312     -3.008977      2.289787
  H      -9.306476     -3.434092      4.187481
  H      -7.663055     -1.767584      4.872324
  N      -4.276114      2.727848      3.074651
  N      -4.728672      2.855211      1.914274
  H      -3.987195      3.090070      1.245148
89
Coordinates from ORCA-job orca E -6140.492756474961
  N      -2.816092      0.592090      4.978081
  Mo     -3.467798      2.499128      5.037308
  N      -5.088516      2.262259      6.117291
  C      -4.949825      2.332447      7.557517
  C      -3.625753      1.670435      7.958010
  N      -2.531993      2.180725      7.098464
  C      -1.483095      1.165680      6.935620
  C      -2.016852      0.036842      6.052109
  C      -1.982120      3.448199      7.626795
  C      -1.913164      4.469192      6.473781
  N      -3.134643      4.321648      5.715631
  H      -1.161795     -0.529895      5.649662
  H      -2.608759     -0.669106      6.661865
  H      -0.634760      1.636098      6.424627
  H      -1.148153      0.776508      7.910017
  H      -1.786339      5.482416      6.878428
  H      -1.052020      4.239984      5.831209
  H      -2.659749      3.842780      8.391054
  H      -0.997052      3.291189      8.082497
  H      -5.775808      1.821181      8.074862
  H      -4.956746      3.384901      7.895818
  H      -3.733029      0.596891      7.782114
  H      -3.400142      1.832562      9.021235
  C      -2.615607     -0.097988      3.714978
  C      -3.594149     -1.306780      3.601891
  C      -4.716944     -1.222110      2.593121
  N      -4.847456     -0.125644      1.856099
  C      -5.840930     -0.098973      0.949455
  N      -6.694195     -1.046911      0.665262
  C      -6.612868     -2.177301      1.420373
  C      -7.529490     -3.218325      1.195950
  C      -7.472832     -4.363197      1.960359
  C      -6.498880     -4.502705      2.960440
  C      -5.584526     -3.500028      3.197102
  C      -5.614128     -2.313069      2.431802
  C      -4.117480      5.345520      5.985045
  C      -4.047201      6.600711      5.056614
  C      -4.338229      6.229545      3.643228
  N      -5.642277      6.138249      3.357013
  C      -5.991748      5.800550      2.115147
  N      -5.193596      5.521420      1.110991
  C      -3.854969      5.609770      1.365415
  C      -2.966164      5.330563      0.321807
  C      -1.606070      5.441731      0.518537
  C      -1.102583      5.820839      1.773340
  C      -1.955005      6.076198      2.824994
  C      -3.353018      5.974983      2.652524
  C      -6.388871      1.940076      5.573054
  C      -6.242423      0.773703      4.563497
  C      -7.141119      0.901135      3.377620
  N      -7.040091      2.071876      2.744835
  C      -7.805399      2.280375      1.668582
  N      -8.683479      1.458898      1.149666
  C      -8.810506      0.244834      1.756695
  C      -9.725431     -0.686997      1.227697
  C      -9.868836     -1.924290      1.813873
  C      -9.108466     -2.268510      2.942498
  C      -8.210877     -1.378311      3.483046
  C      -8.037773     -0.097422      2.912676
  H      -2.804281      0.597123      2.893549
  H      -1.578474     -0.466815      3.609412
  H      -4.051750     -1.457695      4.587694
  H      -3.027404     -2.214503      3.362646
  H      -5.916580      0.814375      0.362519
  H      -8.271704     -3.082355      0.419699
  H      -8.184697     -5.161304      1.786607
  H      -6.467403     -5.409577      3.552707
  H      -4.836994     -3.616455      3.972329
  H      -5.121536      4.922459      5.844522
  H      -4.008718      5.712584      7.019042
  H      -4.825468      7.297703      5.379855
  H      -3.068128      7.071115      5.168088
  H      -7.063593      5.738888      1.914632
  H      -3.395401      5.037420     -0.624383
  H      -0.923274      5.236568     -0.297212
  H      -0.031809      5.906073      1.914753
  H      -1.549199      6.356627      3.788745
  H      -7.115478      1.677962      6.357957
  H      -6.804219      2.806178      5.029829
  H      -5.209863      0.880743      4.205514
  H      -6.363123     -0.186661      5.069900
  H      -7.674004      3.252290      1.185239
  H     -10.295020     -0.394353      0.354588
  H     -10.568521     -2.641989      1.403867
  H      -9.230362     -3.247081      3.391275
  H      -7.631283     -1.663658      4.352758
  N      -4.177755      2.816317      3.103052
  N      -4.595742      3.012047      1.959164
  H      -3.835272      3.261895      1.289902
89
Coordinates from ORCA-job orca E -6140.543833245979
  N      -2.716168      0.546513      5.076901
  Mo     -3.383906      2.456754      5.078991
  N      -5.054938      2.264337      6.098217
  C      -4.958327      2.384786      7.542267
  C      -3.659746      1.721736      8.015694
  N      -2.530333      2.200822      7.179715
  C      -1.472747      1.175751      7.080332
  C      -1.963112      0.019930      6.202864
  C      -2.003510      3.491359      7.694758
  C      -1.897254      4.484794      6.518879
  N      -3.096455      4.311609      5.717553
  H      -1.086059     -0.550790      5.853070
  H      -2.577719     -0.678016      6.804082
  H      -0.604795      1.636150      6.589126
  H      -1.174759      0.815183      8.080442
  H      -1.790326      5.510785      6.903151
  H      -1.008305      4.247267      5.914864
  H      -2.713535      3.902691      8.422667
  H      -1.035103      3.348581      8.195089
  H      -5.809365      1.899651      8.046389
  H      -4.963415      3.449798      7.846937
  H      -3.768936      0.641297      7.873516
  H      -3.469794      1.918833      9.082603
  C      -2.460498     -0.171634      3.823877
  C      -3.440252     -1.371552      3.631526
  C      -4.471350     -1.192425      2.537512
  N      -4.457409     -0.051158      1.866416
  C      -5.357436      0.120827      0.876166
  N      -6.245580     -0.745924      0.447639
  C      -6.314831     -1.923783      1.133125
  C      -7.293340     -2.865703      0.761199
  C      -7.416953     -4.046903      1.458858
  C      -6.552212     -4.333890      2.534070
  C      -5.573900     -3.433843      2.912994
  C      -5.430051     -2.203821      2.224930
  C      -4.106808      5.338256      5.926749
  C      -4.083841      6.582367      4.978503
  C      -4.387845      6.169486      3.576312
  N      -5.695320      6.016246      3.320888
  C      -6.063119      5.628864      2.087239
  N      -5.269793      5.360397      1.073449
  C      -3.932057      5.506330      1.304907
  C      -3.053036      5.212350      0.254897
  C      -1.691197      5.372393      0.416916
  C      -1.172530      5.817023      1.651318
  C      -2.014425      6.080776      2.712976
  C      -3.414876      5.926616      2.571049
  C      -6.368497      1.939801      5.557280
  C      -6.335203      0.708514      4.617529
  C      -7.265215      0.812012      3.452075
  N      -7.103575      1.904899      2.709134
  C      -7.889135      2.081332      1.635930
  N      -8.844889      1.274972      1.212647
  C      -9.032726      0.129299      1.939817
  C     -10.015190     -0.800525      1.525420
  C     -10.208868     -1.968874      2.236736
  C      -9.445746     -2.240995      3.387484
  C      -8.483606     -1.356024      3.815933
  C      -8.247653     -0.154251      3.108509
  H      -2.606881      0.518745      2.989065
  H      -1.418060     -0.542298      3.776043
  H      -3.974076     -1.535678      4.579095
  H      -2.882571     -2.294020      3.413237
  H      -5.308472      1.075141      0.349855
  H      -7.949488     -2.616576     -0.068064
  H      -8.195525     -4.753354      1.176826
  H      -6.661732     -5.271664      3.075264
  H      -4.916195     -3.661330      3.748812
  H      -5.101739      4.893163      5.783868
  H      -4.017769      5.724549      6.957470
  H      -4.887833      7.257144      5.296101
  H      -3.120950      7.096078      5.074930
  H      -7.139945      5.492825      1.911094
  H      -3.501115      4.860317     -0.664097
  H      -1.016141      5.153768     -0.407882
  H      -0.097916      5.940752      1.768767
  H      -1.598572      6.405203      3.663602
  H      -7.090300      1.744462      6.366970
  H      -6.752961      2.796374      4.977227
  H      -5.311794      0.706172      4.214306
  H      -6.505136     -0.203432      5.199584
  H      -7.695715      3.007888      1.068781
  H     -10.589876     -0.565878      0.632624
  H     -10.946559     -2.697314      1.909623
  H      -9.610695     -3.165484      3.935849
  H      -7.894214     -1.588296      4.699615
  N      -3.953769      2.710233      3.147040
  N      -4.290336      2.869144      1.985909
  H      -3.490970      3.094578      1.335840
89
Coordinates from ORCA-job orca E -6140.566363011292
  N      -2.655792      0.550161      5.038274
  Mo     -3.367695      2.457991      5.073602
  N      -5.055948      2.244334      6.059456
  C      -4.965590      2.353118      7.508423
  C      -3.671306      1.694100      7.993800
  N      -2.530189      2.194015      7.177536
  C      -1.452172      1.181533      7.075885
  C      -1.908280      0.031967      6.177750
  C      -2.022081      3.491656      7.712056
  C      -1.911023      4.494663      6.546242
  N      -3.105094      4.333455      5.722407
  H      -1.016002     -0.522664      5.837054
  H      -2.519216     -0.682578      6.768124
  H      -0.584966      1.666344      6.602751
  H      -1.159560      0.816212      8.078154
  H      -1.810920      5.520479      6.938168
  H      -1.007713      4.267570      5.955545
  H      -2.744957      3.888167      8.438008
  H      -1.057970      3.346579      8.225545
  H      -5.820981      1.858860      7.998222
  H      -4.978357      3.416162      7.824663
  H      -3.766391      0.611711      7.840656
  H      -3.494138      1.883674      9.066412
  C      -2.384211     -0.184426      3.788727
  C      -3.360585     -1.387595      3.603471
  C      -4.405242     -1.205944      2.520569
  N      -4.402459     -0.065207      1.855838
  C      -5.332058      0.125967      0.887286
  N      -6.238940     -0.737198      0.473193
  C      -6.291058     -1.920765      1.156014
  C      -7.291235     -2.857036      0.810484
  C      -7.410661     -4.036084      1.514911
  C      -6.516114     -4.334285      2.568537
  C      -5.516474     -3.443288      2.917996
  C      -5.380541     -2.212859      2.225560
  C      -4.113670      5.368348      5.919641
  C      -4.088187      6.609346      4.966895
  C      -4.402030      6.202517      3.562883
  N      -5.707811      6.049195      3.298743
  C      -6.063716      5.654992      2.053230
  N      -5.260294      5.384910      1.043425
  C      -3.923787      5.521624      1.295909
  C      -3.016551      5.195954      0.267206
  C      -1.654973      5.341448      0.457088
  C      -1.156630      5.802602      1.698895
  C      -2.021053      6.090889      2.738009
  C      -3.422393      5.950138      2.567201
  C      -6.372337      1.922858      5.507104
  C      -6.367614      0.699018      4.557059
  C      -7.328150      0.821938      3.413535
  N      -7.187422      1.915786      2.669943
  C      -8.014913      2.100706      1.621113
  N      -8.986117      1.293870      1.218007
  C      -9.144927      0.144009      1.945495
  C     -10.131201     -0.795179      1.550634
  C     -10.295331     -1.971221      2.258782
  C      -9.503995     -2.242678      3.396213
  C      -8.537687     -1.349305      3.805600
  C      -8.326024     -0.142988      3.092435
  H      -2.532639      0.498237      2.947407
  H      -1.339943     -0.551251      3.745759
  H      -3.892639     -1.547442      4.555640
  H      -2.804433     -2.315181      3.387991
  H      -5.291706      1.090689      0.373225
  H      -7.972861     -2.598504     -0.000053
  H      -8.215100     -4.729870      1.260221
  H      -6.622671     -5.272070      3.117577
  H      -4.836993     -3.677602      3.739246
  H      -5.111666      4.926639      5.778785
  H      -4.025632      5.752775      6.952896
  H      -4.889726      7.289271      5.286882
  H      -3.119738      7.120076      5.062533
  H      -7.138564      5.510651      1.868282
  H      -3.449580      4.820718     -0.654962
  H      -0.961379      5.096220     -0.349558
  H      -0.079907      5.914625      1.840255
  H      -1.622811      6.420755      3.698548
  H      -7.083570      1.726466      6.327115
  H      -6.758528      2.785343      4.937236
  H      -5.353269      0.683381      4.126794
  H      -6.531898     -0.219489      5.134105
  H      -7.843408      3.034353      1.059330
  H     -10.730314     -0.562903      0.668710
  H     -11.028943     -2.712869      1.938534
  H      -9.646823     -3.175849      3.943783
  H      -7.920680     -1.581420      4.674071
  N      -3.868535      2.693418      3.225183
  N      -4.176787      2.857078      2.062823
  H      -3.391400      3.088682      1.402748
89
Coordinates from ORCA-job orca E -6140.580385511387
  N      -2.639261      0.563603      4.997592
  Mo     -3.374546      2.469740      5.073434
  N      -5.069398      2.251037      6.043617
  C      -4.968513      2.350104      7.494216
  C      -3.677406      1.686570      7.978313
  N      -2.531221      2.194854      7.171533
  C      -1.445882      1.187949      7.055411
  C      -1.889438      0.047157      6.141595
  C      -2.023637      3.493197      7.715732
  C      -1.911546      4.502704      6.556206
  N      -3.110274      4.364008      5.728957
  H      -0.991113     -0.498712      5.801704
  H      -2.495149     -0.678795      6.725944
  H      -0.583008      1.690290      6.591163
  H      -1.149985      0.816321      8.054612
  H      -1.804268      5.526065      6.954113
  H      -1.004749      4.279491      5.966880
  H      -2.746816      3.880842      8.446746
  H      -1.060880      3.337540      8.230473
  H      -5.825505      1.853472      7.979631
  H      -4.979240      3.410779      7.818144
  H      -3.766528      0.604099      7.816625
  H      -3.500945      1.868302      9.052846
  C      -2.375166     -0.186086      3.754797
  C      -3.334581     -1.398705      3.578561
  C      -4.383948     -1.218309      2.497553
  N      -4.386348     -0.078697      1.832225
  C      -5.326826      0.119584      0.871565
  N      -6.239063     -0.742213      0.463467
  C      -6.280853     -1.928157      1.146129
  C      -7.285355     -2.866275      0.808590
  C      -7.401064     -4.044475      1.514930
  C      -6.498143     -4.344337      2.562628
  C      -5.495274     -3.454011      2.901821
  C      -5.364444     -2.224813      2.207987
  C      -4.114438      5.394457      5.921739
  C      -4.089701      6.625085      4.958714
  C      -4.425002      6.215182      3.558069
  N      -5.728420      6.062925      3.291456
  C      -6.072523      5.658978      2.040229
  N      -5.266901      5.382910      1.031068
  C      -3.931881      5.509332      1.294313
  C      -3.002134      5.155435      0.283124
  C      -1.643957      5.287774      0.497102
  C      -1.162164      5.763037      1.741158
  C      -2.042304      6.075050      2.758930
  C      -3.442669      5.947758      2.566361
  C      -6.386241      1.941401      5.494503
  C      -6.380298      0.717796      4.551602
  C      -7.342734      0.845528      3.410324
  N      -7.200297      1.930879      2.659440
  C      -8.036700      2.104701      1.610988
  N      -9.006275      1.294403      1.213302
  C      -9.160061      0.152894      1.950062
  C     -10.141988     -0.794021      1.560392
  C     -10.303361     -1.963679      2.275870
  C      -9.515510     -2.224077      3.420974
  C      -8.553212     -1.323486      3.824661
  C      -8.343604     -0.123237      3.098618
  H      -2.534669      0.486483      2.906300
  H      -1.329143     -0.543517      3.715525
  H      -3.864256     -1.562772      4.532380
  H      -2.774096     -2.325889      3.370072
  H      -5.290462      1.090261      0.368504
  H      -7.975208     -2.606141      0.004618
  H      -8.211857     -4.735246      1.269961
  H      -6.601685     -5.281540      3.113829
  H      -4.808688     -3.688967      3.717587
  H      -5.114153      4.950452      5.793253
  H      -4.024270      5.781910      6.953881
  H      -4.883836      7.310348      5.287840
  H      -3.118489      7.133581      5.038390
  H      -7.144383      5.514737      1.851865
  H      -3.418095      4.760325     -0.642670
  H      -0.937205      5.019293     -0.291027
  H      -0.086635      5.864209      1.901063
  H      -1.658867      6.410927      3.723482
  H      -7.091434      1.751167      6.321569
  H      -6.770435      2.804448      4.925051
  H      -5.368810      0.691087      4.116312
  H      -6.542253     -0.201969      5.126513
  H      -7.872625      3.032043      1.044316
  H     -10.739658     -0.572646      0.674067
  H     -11.030733     -2.712824      1.956220
  H      -9.656636     -3.154275      3.974902
  H      -7.935904     -1.545702      4.695341
  N      -3.846715      2.684724      3.339084
  N      -4.157373      2.858557      2.168625
  H      -3.403544      3.088276      1.491880
89
Coordinates from ORCA-job orca E -6140.586455332248
  N      -2.593675      0.585062      4.954603
  Mo     -3.380174      2.467495      5.069138
  N      -5.083504      2.220160      6.017401
  C      -4.982983      2.296518      7.469796
  C      -3.689375      1.640463      7.954313
  N      -2.540934      2.176939      7.172790
  C      -1.440700      1.190219      7.045833
  C      -1.853563      0.061879      6.102455
  C      -2.056945      3.476164      7.732738
  C      -1.937565      4.494015      6.581243
  N      -3.120169      4.371018      5.731076
  H      -0.941522     -0.464893      5.769312
  H      -2.455037     -0.685511      6.663083
  H      -0.583624      1.720583      6.603219
  H      -1.145659      0.804532      8.039359
  H      -1.835620      5.514081      6.988942
  H      -1.018898      4.283049      6.006037
  H      -2.793672      3.845881      8.458991
  H      -1.100608      3.323762      8.259628
  H      -5.838045      1.785440      7.943471
  H      -5.005859      3.351557      7.809001
  H      -3.757820      0.559716      7.773558
  H      -3.526781      1.806658      9.033147
  C      -2.337129     -0.165825      3.717201
  C      -3.280193     -1.389044      3.554524
  C      -4.350341     -1.219721      2.492275
  N      -4.375891     -0.083734      1.819829
  C      -5.346385      0.105380      0.889680
  N      -6.265030     -0.760779      0.513310
  C      -6.278237     -1.945156      1.199293
  C      -7.286041     -2.890711      0.896157
  C      -7.376873     -4.063558      1.614523
  C      -6.445083     -4.351703      2.637976
  C      -5.438101     -3.454950      2.941244
  C      -5.333236     -2.231519      2.235776
  C      -4.124193      5.397012      5.905374
  C      -4.082477      6.627216      4.942459
  C      -4.409435      6.240772      3.533723
  N      -5.707198      6.096782      3.247522
  C      -6.030606      5.715109      1.985949
  N      -5.214326      5.459087      0.980912
  C      -3.883198      5.560798      1.267497
  C      -2.937694      5.191561      0.275691
  C      -1.584258      5.290820      0.523098
  C      -1.120218      5.748435      1.778926
  C      -2.015802      6.072424      2.777327
  C      -3.413096      5.976663      2.552498
  C      -6.402402      1.927039      5.468668
  C      -6.405153      0.719180      4.506521
  C      -7.397664      0.861601      3.391279
  N      -7.289445      1.964698      2.661944
  C      -8.162557      2.149453      1.645861
  N      -9.127023      1.334704      1.256307
  C      -9.242984      0.174688      1.967715
  C     -10.217277     -0.778449      1.577056
  C     -10.343152     -1.966000      2.266030
  C      -9.528023     -2.238788      3.388371
  C      -8.571853     -1.332403      3.791531
  C      -8.395471     -0.114181      3.087376
  H      -2.512776      0.499895      2.865930
  H      -1.287483     -0.509895      3.675404
  H      -3.793103     -1.561190      4.515776
  H      -2.714584     -2.311153      3.342394
  H      -5.334228      1.078044      0.391052
  H      -8.000544     -2.638342      0.112718
  H      -8.192962     -4.757215      1.402897
  H      -6.529264     -5.284046      3.198478
  H      -4.727751     -3.680609      3.737731
  H      -5.122341      4.950140      5.771996
  H      -4.053022      5.789066      6.937277
  H      -4.872432      7.315763      5.274857
  H      -3.111287      7.130945      5.030265
  H      -7.099105      5.577179      1.783269
  H      -3.334941      4.797647     -0.658259
  H      -0.865939      5.006252     -0.247332
  H      -0.047609      5.823270      1.963710
  H      -1.648298      6.388512      3.753109
  H      -7.098579      1.727149      6.300739
  H      -6.791332      2.800135      4.918353
  H      -5.405088      0.701161      4.048307
  H      -6.547416     -0.213419      5.064169
  H      -8.036096      3.092249      1.099243
  H     -10.836771     -0.547350      0.709653
  H     -11.060925     -2.720471      1.940232
  H      -9.641373     -3.183488      3.921667
  H      -7.931063     -1.564926      4.641053
  N      -3.845142      2.676261      3.354472
  N      -4.156002      2.854558      2.174102
  H      -3.406636      3.084676      1.503647
89
Coordinates from ORCA-job orca E -6140.591337075160
  N      -2.568169      0.611787      4.924270
  Mo     -3.390060      2.473184      5.090967
  N      -5.098255      2.216256      6.022975
  C      -4.994305      2.272135      7.477469
  C      -3.703474      1.607522      7.956421
  N      -2.547369      2.156217      7.195156
  C      -1.446706      1.174777      7.049958
  C      -1.845134      0.069303      6.074794
  C      -2.065730      3.450607      7.767277
  C      -1.929659      4.474304      6.623019
  N      -3.102620      4.379874      5.758649
  H      -0.925307     -0.447784      5.745905
  H      -2.450264     -0.694732      6.608779
  H      -0.589480      1.721595      6.627841
  H      -1.153247      0.767314      8.035424
  H      -1.817246      5.490314      7.040293
  H      -1.004506      4.263005      6.057529
  H      -2.807915      3.813604      8.491552
  H      -1.115044      3.289750      8.302453
  H      -5.851230      1.756405      7.943342
  H      -5.016486      3.322595      7.831401
  H      -3.765675      0.529527      7.756603
  H      -3.549473      1.755381      9.039593
  C      -2.315159     -0.145032      3.692656
  C      -3.260442     -1.367568      3.532486
  C      -4.331518     -1.220644      2.466431
  N      -4.359012     -0.105927      1.760214
  C      -5.337014      0.056206      0.831867
  N      -6.257487     -0.819638      0.485198
  C      -6.262953     -1.986423      1.200429
  C      -7.266950     -2.944788      0.925978
  C      -7.352208     -4.096550      1.678754
  C      -6.417775     -4.351776      2.708211
  C      -5.413001     -3.443116      2.982180
  C      -5.314642     -2.240306      2.241530
  C      -4.095554      5.415211      5.921643
  C      -4.048396      6.636771      4.949813
  C      -4.402805      6.255702      3.546475
  N      -5.705123      6.119351      3.283735
  C      -6.054298      5.747565      2.026884
  N      -5.259783      5.504172      1.001851
  C      -3.922978      5.583890      1.265452
  C      -3.001230      5.203068      0.257026
  C      -1.643303      5.267955      0.487191
  C      -1.149560      5.706726      1.738706
  C      -2.023004      6.046106      2.751296
  C      -3.425225      5.982718      2.545533
  C      -6.415831      1.947734      5.462042
  C      -6.417943      0.738827      4.503869
  C      -7.403702      0.882884      3.381718
  N      -7.274531      1.978186      2.643587
  C      -8.131186      2.158592      1.612185
  N      -9.089179      1.342637      1.211949
  C      -9.225951      0.189808      1.933525
  C     -10.193068     -0.765358      1.529301
  C     -10.340595     -1.943754      2.229449
  C      -9.557357     -2.203311      3.377587
  C      -8.606662     -1.296131      3.791927
  C      -8.405398     -0.089217      3.074816
  H      -2.482703      0.515408      2.835056
  H      -1.265853     -0.492454      3.661817
  H      -3.776092     -1.532421      4.494031
  H      -2.695302     -2.292917      3.333569
  H      -5.333151      1.019642      0.314989
  H      -7.985998     -2.716246      0.138998
  H      -8.169308     -4.797113      1.494405
  H      -6.497772     -5.267913      3.295776
  H      -4.698608     -3.643859      3.781959
  H      -5.099059      4.975896      5.801287
  H      -4.024123      5.818104      6.949985
  H      -4.824240      7.336266      5.294877
  H      -3.072427      7.133366      5.020878
  H      -7.128626      5.613653      1.847679
  H      -3.416710      4.818964     -0.673648
  H      -0.942563      4.969425     -0.294485
  H      -0.072659      5.755588      1.907703
  H      -1.634861      6.346508      3.724044
  H      -7.120764      1.757433      6.288992
  H      -6.788335      2.826024      4.908943
  H      -5.416796      0.707159      4.049640
  H      -6.565597     -0.193477      5.060892
  H      -7.993538      3.097362      1.059238
  H     -10.788882     -0.543780      0.642778
  H     -11.048845     -2.701849      1.890743
  H      -9.687677     -3.141111      3.919422
  H      -7.986457     -1.521280      4.658840
  N      -3.863734      2.701594      3.384231
  N      -4.180977      2.902089      2.206780
  H      -3.425037      3.124921      1.542888
89
Coordinates from ORCA-job orca E -6140.595646485842
  N      -2.528918      0.643872      4.901566
  Mo     -3.403160      2.468681      5.107649
  N      -5.115374      2.189877      6.021243
  C      -5.012843      2.226120      7.477693
  C      -3.717968      1.569797      7.952967
  N      -2.560253      2.142092      7.214234
  C      -1.448117      1.178034      7.056278
  C      -1.818789      0.088340      6.054076
  C      -2.096502      3.437666      7.795578
  C      -1.944137      4.461913      6.655506
  N      -3.100090      4.381066      5.771077
  H      -0.885496     -0.410305      5.732367
  H      -2.420368     -0.696837      6.560988
  H      -0.596078      1.747435      6.653907
  H      -1.153270      0.754271      8.034497
  H      -1.831308      5.476330      7.078608
  H      -1.007974      4.252941      6.106670
  H      -2.851494      3.791350      8.511272
  H      -1.152847      3.280838      8.344676
  H      -5.865914      1.695759      7.935137
  H      -5.047799      3.271490      7.845638
  H      -3.761018      0.494300      7.734775
  H      -3.577656      1.701738      9.040455
  C      -2.283640     -0.110371      3.672418
  C      -3.218574     -1.338188      3.518988
  C      -4.300262     -1.190011      2.466897
  N      -4.331231     -0.077372      1.756409
  C      -5.324791      0.084539      0.844188
  N      -6.254824     -0.787778      0.516563
  C      -6.251054     -1.955647      1.230920
  C      -7.254570     -2.917321      0.967614
  C      -7.324987     -4.071162      1.719264
  C      -6.379448     -4.322812      2.739006
  C      -5.375327     -3.410171      3.002292
  C      -5.288906     -2.208044      2.259224
  C      -4.089633      5.420524      5.910327
  C      -4.026082      6.631536      4.928705
  C      -4.383146      6.254943      3.525398
  N      -5.685577      6.131303      3.260399
  C      -6.037979      5.771959      2.001853
  N      -5.245787      5.534267      0.973820
  C      -3.907978      5.588732      1.240060
  C      -2.991742      5.192550      0.233593
  C      -1.633936      5.221192      0.472681
  C      -1.134994      5.641911      1.728111
  C      -2.004892      5.999623      2.737692
  C      -3.406788      5.971278      2.524204
  C      -6.433772      1.937913      5.455514
  C      -6.439438      0.741671      4.482874
  C      -7.442628      0.890085      3.375034
  N      -7.337985      1.998409      2.652938
  C      -8.209904      2.180050      1.634073
  N      -9.156926      1.353906      1.231487
  C      -9.271142      0.189896      1.939617
  C     -10.231100     -0.771436      1.533872
  C     -10.361159     -1.957238      2.225107
  C      -9.563884     -2.219132      3.362970
  C      -8.618188     -1.306485      3.776632
  C      -8.436525     -0.090607      3.069807
  H      -2.463512      0.547646      2.814272
  H      -1.231172     -0.447857      3.636980
  H      -3.722525     -1.513304      4.485034
  H      -2.651150     -2.260490      3.311531
  H      -5.329476      1.049831      0.329808
  H      -7.983617     -2.690965      0.189222
  H      -8.138996     -4.777495      1.543619
  H      -6.448432     -5.240687      3.325217
  H      -4.649409     -3.609859      3.791738
  H      -5.095548      4.985584      5.790541
  H      -4.031542      5.838334      6.934041
  H      -4.793135      7.341264      5.273690
  H      -3.046135      7.121188      4.996897
  H      -7.114191      5.651360      1.824246
  H      -3.407087      4.816757     -0.700825
  H      -0.936705      4.905907     -0.305683
  H      -0.058033      5.662366      1.902180
  H      -1.614843      6.284361      3.714506
  H      -7.138514      1.740414      6.281234
  H      -6.802489      2.824932      4.914826
  H      -5.444895      0.717117      4.013592
  H      -6.571810     -0.199920      5.028918
  H      -8.096459      3.129127      1.093667
  H     -10.838335     -0.546961      0.655899
  H     -11.066818     -2.717560      1.885909
  H      -9.680365     -3.162766      3.897779
  H      -7.987662     -1.533410      4.635790
  N      -3.885760      2.697398      3.393700
  N      -4.204534      2.897152      2.216983
  H      -3.435553      3.113742      1.564746
89
Coordinates from ORCA-job orca E -6140.599451514326
  N      -2.497672      0.680356      4.882080
  Mo     -3.419834      2.467226      5.130037
  N      -5.131619      2.169561      6.031672
  C      -5.031342      2.188700      7.489647
  C      -3.732763      1.537880      7.957583
  N      -2.574922      2.129276      7.235105
  C      -1.454856      1.177764      7.063754
  C      -1.804002      0.106588      6.036300
  C      -2.123000      3.424022      7.826022
  C      -1.950199      4.448707      6.691405
  N      -3.090738      4.381887      5.788463
  H      -0.860405     -0.377797      5.720922
  H      -2.405941     -0.695741      6.515469
  H      -0.605301      1.763740      6.680052
  H      -1.160116      0.735900      8.034172
  H      -1.834040      5.460957      7.120454
  H      -1.005200      4.236820      6.158162
  H      -2.889367      3.772872      8.532094
  H      -1.187000      3.267852      8.389107
  H      -5.880252      1.645724      7.940918
  H      -5.076297      3.229260      7.870292
  H      -3.762241      0.465370      7.721991
  H      -3.601897      1.653407      9.048613
  C      -2.253299     -0.068668      3.651166
  C      -3.184745     -1.298302      3.498035
  C      -4.270354     -1.156094      2.450207
  N      -4.298000     -0.054537      1.722602
  C      -5.299230      0.098474      0.815163
  N      -6.235251     -0.774406      0.505902
  C      -6.229399     -1.934702      1.233021
  C      -7.231536     -2.901232      0.982215
  C      -7.296638     -4.047800      1.745642
  C      -6.349277     -4.285674      2.767461
  C      -5.346722     -3.367477      3.019247
  C      -5.263649     -2.174217      2.261241
  C      -4.071716      5.432725      5.908140
  C      -3.992789      6.631175      4.913593
  C      -4.363894      6.250489      3.515722
  N      -5.669531      6.139481      3.261080
  C      -6.037484      5.784840      2.004973
  N      -5.255996      5.544657      0.969119
  C      -3.915280      5.579739      1.226280
  C      -3.013113      5.171065      0.212832
  C      -1.653196      5.168810      0.446093
  C      -1.138629      5.574177      1.700613
  C      -1.996024      5.949218      2.715384
  C      -3.399003      5.951248      2.508125
  C      -6.450107      1.933078      5.457391
  C      -6.459877      0.742585      4.479104
  C      -7.469070      0.892688      3.375559
  N      -7.368680      2.003038      2.656383
  C      -8.238995      2.181151      1.634414
  N      -9.178860      1.348786      1.226190
  C      -9.291677      0.185011      1.935547
  C     -10.247012     -0.779852      1.527398
  C     -10.379535     -1.963084      2.223637
  C      -9.587573     -2.218850      3.366824
  C      -8.644234     -1.303605      3.781028
  C      -8.460861     -0.090210      3.070394
  H      -2.435281      0.590890      2.794426
  H      -1.199496     -0.402767      3.614463
  H      -3.684540     -1.478829      4.465310
  H      -2.614771     -2.218966      3.288294
  H      -5.305032      1.057383      0.288766
  H      -7.963006     -2.684951      0.202968
  H      -8.107880     -4.759867      1.579050
  H      -6.414671     -5.198076      3.362883
  H      -4.617906     -3.557829      3.808525
  H      -5.083333      5.009176      5.793225
  H      -4.016154      5.865033      6.926341
  H      -4.745662      7.356802      5.257442
  H      -3.005269      7.107937      4.971660
  H      -7.116501      5.675127      1.838321
  H      -3.438530      4.805854     -0.720899
  H      -0.966661      4.839940     -0.336460
  H      -0.060451      5.570280      1.869198
  H      -1.595770      6.222287      3.691750
  H      -7.161106      1.737164      6.278390
  H      -6.807062      2.826149      4.919337
  H      -5.468034      0.718112      4.003202
  H      -6.586667     -0.202430      5.021447
  H      -8.129719      3.131245      1.095267
  H     -10.850769     -0.559338      0.645814
  H     -11.083634     -2.724717      1.883786
  H      -9.706189     -3.160221      3.905639
  H      -8.017573     -1.526439      4.644351
  N      -3.912502      2.703202      3.422447
  N      -4.234515      2.904997      2.249461
  H      -3.455945      3.111282      1.601028
89
Coordinates from ORCA-job orca E -6140.602944891816
  N      -2.468829      0.720311      4.866428
  Mo     -3.440740      2.464110      5.150660
  N      -5.148166      2.143193      6.047140
  C      -5.051766      2.146008      7.505900
  C      -3.746362      1.504987      7.964853
  N      -2.593649      2.117915      7.253524
  C      -1.462601      1.181867      7.070573
  C      -1.789435      0.127442      6.019755
  C      -2.157460      3.412701      7.853647
  C      -1.964194      4.437864      6.724156
  N      -3.087472      4.377614      5.800472
  H      -0.836215     -0.341637      5.709298
  H      -2.390516     -0.691112      6.471242
  H      -0.617033      1.784324      6.704153
  H      -1.167170      0.723764      8.033253
  H      -1.849656      5.448338      7.158005
  H      -1.010119      4.223771      6.207737
  H      -2.937671      3.756667      8.546798
  H      -1.230342      3.260410      8.432917
  H      -5.893917      1.588104      7.951891
  H      -5.109892      3.181536      7.898387
  H      -3.761784      0.435667      7.713430
  H      -3.621450      1.605077      9.058381
  C      -2.226777     -0.018690      3.629090
  C      -3.147376     -1.255715      3.474169
  C      -4.239330     -1.118368      2.432973
  N      -4.266243     -0.024121      1.693971
  C      -5.275595      0.124253      0.793904
  N      -6.217165     -0.747620      0.500255
  C      -6.207539     -1.903721      1.234253
  C      -7.209314     -2.872700      0.992964
  C      -7.268016     -4.016009      1.761686
  C      -6.316590     -4.246093      2.781523
  C      -5.315009     -3.324387      3.025031
  C      -5.236332     -2.135974      2.259011
  C      -4.061816      5.438114      5.897856
  C      -3.962488      6.624759      4.891116
  C      -4.340483      6.240830      3.495960
  N      -5.647846      6.145025      3.243555
  C      -6.022835      5.796835      1.987179
  N      -5.246000      5.553627      0.948289
  C      -3.904339      5.569275      1.204358
  C      -3.009494      5.150541      0.188570
  C      -1.649661      5.118847      0.423851
  C      -1.128831      5.506553      1.681059
  C      -1.979653      5.895840      2.696429
  C      -3.381660      5.927308      2.487679
  C      -6.467538      1.920820      5.467641
  C      -6.482748      0.737917      4.481494
  C      -7.500117      0.890799      3.385698
  N      -7.408869      2.005167      2.671836
  C      -8.280264      2.180272      1.650061
  N      -9.213166      1.341734      1.237490
  C      -9.320350      0.176925      1.945534
  C     -10.271411     -0.791571      1.536958
  C     -10.401850     -1.974025      2.235529
  C      -9.610251     -2.225741      3.379564
  C      -8.668976     -1.307784      3.792733
  C      -8.488629     -0.094886      3.080877
  H      -2.417310      0.644882      2.777537
  H      -1.170395     -0.343758      3.585198
  H      -3.638248     -1.449116      4.443204
  H      -2.569678     -2.169694      3.255176
  H      -5.284582      1.078604      0.259639
  H      -7.944713     -2.661863      0.215973
  H      -8.076904     -4.732064      1.601403
  H      -6.377594     -5.155827      3.381348
  H      -4.582566     -3.509881      3.811990
  H      -5.077648      5.025158      5.781354
  H      -4.011316      5.882853      6.910839
  H      -4.701669      7.366811      5.229163
  H      -2.967038      7.085758      4.944526
  H      -7.102973      5.699484      1.823190
  H      -3.439638      4.799041     -0.748342
  H      -0.969066      4.779695     -0.359364
  H      -0.051298      5.478969      1.851009
  H      -1.575608      6.155563      3.674822
  H      -7.183553      1.724236      6.284116
  H      -6.814276      2.820418      4.934069
  H      -5.494506      0.718313      3.997132
  H      -6.601997     -0.210824      5.019166
  H      -8.177606      3.132242      1.113890
  H     -10.875573     -0.573573      0.655136
  H     -11.105109     -2.736735      1.896804
  H      -9.727490     -3.166070      3.920468
  H      -8.042549     -1.527823      4.656848
  N      -3.946650      2.708186      3.446375
  N      -4.274149      2.908867      2.275166
  H      -3.492172      3.103679      1.626889
89
Coordinates from ORCA-job orca E -6140.606237543067
  N      -2.439412      0.763409      4.851993
  Mo     -3.465471      2.459728      5.168954
  N      -5.165431      2.108969      6.065523
  C      -5.072893      2.095741      7.524776
  C      -3.757724      1.468982      7.973919
  N      -2.614849      2.106590      7.269236
  C      -1.469604      1.189517      7.076136
  C      -1.772566      0.151473      6.002810
  C      -2.198100      3.402522      7.878274
  C      -1.986236      4.428725      6.753908
  N      -3.091312      4.369980      5.807988
  H      -0.809915     -0.300936      5.696149
  H      -2.371481     -0.682670      6.426975
  H      -0.629808      1.809693      6.726747
  H      -1.172925      0.717000      8.031393
  H      -1.877966      5.438166      7.191372
  H      -1.023031      4.214148      6.254707
  H      -2.993846      3.740604      8.556449
  H      -1.280736      3.256381      8.475015
  H      -5.905974      1.520368      7.965648
  H      -5.147275      3.125784      7.929055
  H      -3.757739      0.402860      7.708098
  H      -3.634809      1.554755      9.069101
  C      -2.196116      0.037880      3.606455
  C      -3.105880     -1.205872      3.445596
  C      -4.204622     -1.070161      2.411484
  N      -4.229298      0.017118      1.661920
  C      -5.246299      0.164039      0.769894
  N      -6.195736     -0.704392      0.491939
  C      -6.184358     -1.856486      1.232455
  C      -7.188522     -2.825385      1.001242
  C      -7.242711     -3.966043      1.774445
  C      -6.286480     -4.191277      2.790815
  C      -5.283630     -3.268587      3.025482
  C      -5.207328     -2.084651      2.252389
  C      -4.059568      5.440188      5.880743
  C      -3.935492      6.615292      4.862992
  C      -4.313050      6.227675      3.468602
  N      -5.620397      6.144729      3.212860
  C      -5.995328      5.799777      1.955115
  N      -5.218026      5.552804      0.917193
  C      -3.877078      5.553293      1.177840
  C      -2.983937      5.126413      0.163938
  C      -1.625898      5.070153      0.406480
  C      -1.105766      5.442779      1.668352
  C      -1.955055      5.844213      2.680417
  C      -3.354970      5.900653      2.464402
  C      -6.485871      1.897237      5.481625
  C      -6.506952      0.721508      4.486991
  C      -7.534883      0.877318      3.401515
  N      -7.454182      1.996008      2.693020
  C      -8.328677      2.169466      1.673765
  N      -9.256975      1.326205      1.259251
  C      -9.357958      0.160228      1.965847
  C     -10.308311     -0.810067      1.560103
  C     -10.436614     -1.991652      2.260771
  C      -9.641360     -2.241915      3.402436
  C      -8.698687     -1.323248      3.811551
  C      -8.521931     -0.110395      3.098756
  H      -2.394599      0.708109      2.762335
  H      -1.136941     -0.277314      3.555513
  H      -3.587716     -1.413914      4.415850
  H      -2.520389     -2.112118      3.214352
  H      -5.256520      1.113839      0.227702
  H      -7.928126     -2.617794      0.227288
  H      -8.050855     -4.684156      1.620124
  H      -6.344312     -5.098664      3.394579
  H      -4.547189     -3.451495      3.809364
  H      -5.078700      5.037700      5.757779
  H      -4.015966      5.895339      6.889114
  H      -4.662751      7.373639      5.190555
  H      -2.932357      7.059257      4.917354
  H      -7.075752      5.711379      1.788482
  H      -3.414810      4.788062     -0.777574
  H      -0.947062      4.722881     -0.374682
  H      -0.029873      5.395027      1.844393
  H      -1.552327      6.092659      3.662274
  H      -7.205867      1.698902      6.294097
  H      -6.824616      2.802576      4.952828
  H      -5.523404      0.709085      3.992380
  H      -6.616867     -0.230873      5.020106
  H      -8.232365      3.123614      1.140307
  H     -10.916010     -0.592829      0.680494
  H     -11.142608     -2.753623      1.926025
  H      -9.757332     -3.181160      3.945617
  H      -8.069882     -1.542074      4.674246
  N      -3.986247      2.711721      3.471736
  N      -4.322954      2.911335      2.302864
  H      -3.543426      3.096745      1.649061
89
Coordinates from ORCA-job orca E -6140.609360619814
  N      -2.411950      0.808023      4.839505
  Mo     -3.495053      2.454160      5.185514
  N      -5.183825      2.068141      6.089709
  C      -5.092359      2.039107      7.548829
  C      -3.764267      1.431470      7.985847
  N      -2.636614      2.096281      7.282193
  C      -1.474579      1.201828      7.079636
  C      -1.753518      0.178862      5.985864
  C      -2.241954      3.395011      7.897747
  C      -2.015532      4.421641      6.777035
  N      -3.103358      4.359511      5.810188
  H      -0.782001     -0.255525      5.681075
  H      -2.347837     -0.670093      6.385397
  H      -0.643164      1.841003      6.745434
  H      -1.174677      0.717821      8.027934
  H      -1.917111      5.431192      7.215695
  H      -1.044017      4.208365      6.293683
  H      -3.053368      3.726649      8.560290
  H      -1.334214      3.257707      8.511444
  H      -5.913590      1.443874      7.985495
  H      -5.185489      3.062797      7.965193
  H      -3.747286      0.368552      7.707460
  H      -3.638089      1.504986      9.081600
  C      -2.165690      0.098539      3.584772
  C      -3.062174     -1.152777      3.414312
  C      -4.166968     -1.016243      2.386875
  N      -4.188028      0.065097      1.628078
  C      -5.212241      0.213439      0.744871
  N      -6.170925     -0.649441      0.481625
  C      -6.159338     -1.798482      1.227009
  C      -7.167786     -2.765159      1.005330
  C      -7.219214     -3.904081      1.781561
  C      -6.257809     -4.127735      2.793148
  C      -5.252054     -3.206223      3.019508
  C      -5.176484     -2.025758      2.241185
  C      -4.066337      5.438352      5.856933
  C      -3.913529      6.602104      4.830282
  C      -4.285250      6.211114      3.435022
  N      -5.591098      6.142543      3.170057
  C      -5.960337      5.800711      1.909691
  N      -5.178297      5.548598      0.876442
  C      -3.839377      5.533559      1.147071
  C      -2.943704      5.097525      0.139244
  C      -1.589250      5.017469      0.394532
  C      -1.075440      5.376026      1.662881
  C      -1.927069      5.789502      2.667973
  C      -3.323576      5.870240      2.439006
  C      -6.505778      1.864640      5.504214
  C      -6.531810      0.696037      4.501140
  C      -7.569671      0.856490      3.426172
  N      -7.496617      1.979472      2.723380
  C      -8.373063      2.153759      1.706555
  N      -9.298594      1.308505      1.289647
  C      -9.396336      0.141246      1.994087
  C     -10.348064     -0.828451      1.590231
  C     -10.476859     -2.009444      2.291649
  C      -9.678865     -2.261074      3.431011
  C      -8.732950     -1.344121      3.837010
  C      -8.557012     -0.131141      3.124369
  H      -2.373298      0.776611      2.749350
  H      -1.103206     -0.203980      3.526735
  H      -3.535170     -1.377789      4.384795
  H      -2.467811     -2.049573      3.168557
  H      -5.222134      1.159105      0.195608
  H      -7.911732     -2.558385      0.235310
  H      -8.028260     -4.622163      1.632764
  H      -6.313718     -5.033251      3.399872
  H      -4.511676     -3.388803      3.799697
  H      -5.087443      5.044998      5.723354
  H      -4.032135      5.902270      6.861238
  H      -4.629528      7.376596      5.144508
  H      -2.902908      7.027870      4.890151
  H      -7.040275      5.721282      1.735611
  H      -3.371827      4.772272     -0.808230
  H      -0.908989      4.662097     -0.381644
  H      -0.002419      5.308445      1.849510
  H      -1.529979      6.027134      3.654773
  H      -7.228365      1.663620      6.313697
  H      -6.839076      2.774760      4.980508
  H      -5.553167      0.692164      3.996891
  H      -6.632399     -0.260183      5.029055
  H      -8.280346      3.109924      1.176071
  H     -10.958517     -0.609912      0.712877
  H     -11.187106     -2.768824      1.960169
  H      -9.795771     -3.199378      3.975602
  H      -8.102280     -1.563778      4.698112
  N      -4.036260      2.712671      3.495677
  N      -4.389365      2.911682      2.331142
  H      -3.618264      3.088810      1.666071
89
Coordinates from ORCA-job orca E -6140.612302245509
  N      -2.386351      0.856449      4.823333
  Mo     -3.527495      2.451131      5.198218
  N      -5.204218      2.023827      6.111658
  C      -5.112173      1.975443      7.570089
  C      -3.769528      1.390158      7.993565
  N      -2.660091      2.085314      7.290357
  C      -1.479366      1.216778      7.078051
  C      -1.733317      0.210264      5.963168
  C      -2.290191      3.386829      7.913809
  C      -2.051092      4.415651      6.798228
  N      -3.121442      4.349539      5.810624
  H      -0.753332     -0.204841      5.658812
  H      -2.321357     -0.653349      6.338988
  H      -0.658182      1.876694      6.760098
  H      -1.175697      0.721615      8.019138
  H      -1.965433      5.425316      7.238427
  H      -1.071269      4.206409      6.330263
  H      -3.117992      3.710072      8.560042
  H      -1.392975      3.258791      8.545013
  H      -5.919628      1.356993      8.000175
  H      -5.227084      2.990544      8.001799
  H      -3.733256      0.331320      7.701295
  H      -3.637491      1.450835      9.089384
  C      -2.136366      0.166628      3.558102
  C      -3.017860     -1.092951      3.374882
  C      -4.132107     -0.955278      2.357611
  N      -4.153809      0.120144      1.589742
  C      -5.188585      0.268836      0.719350
  N      -6.156787     -0.588991      0.474609
  C      -6.140960     -1.734902      1.224656
  C      -7.153821     -2.700191      1.016909
  C      -7.198285     -3.837530      1.796153
  C      -6.227023     -4.059230      2.798465
  C      -5.218208     -3.138118      3.012117
  C      -5.147788     -1.960751      2.228672
  C      -4.078814      5.436350      5.829637
  C      -3.893118      6.588022      4.795906
  C      -4.251306      6.190472      3.398706
  N      -5.553591      6.131050      3.118424
  C      -5.909974      5.786882      1.855150
  N      -5.117594      5.530523      0.830818
  C      -3.781981      5.506997      1.116917
  C      -2.877151      5.066190      0.119295
  C      -1.527707      4.969874      0.393315
  C      -1.027742      5.317581      1.670167
  C      -1.887947      5.739236      2.664251
  C      -3.279976      5.837036      2.415983
  C      -6.528260      1.827713      5.526260
  C      -6.559812      0.667139      4.513389
  C      -7.610919      0.831167      3.451796
  N      -7.549275      1.958759      2.755282
  C      -8.430715      2.133175      1.743456
  N      -9.353435      1.284945      1.326546
  C      -9.444292      0.115905      2.028648
  C     -10.397513     -0.854264      1.629216
  C     -10.523061     -2.035120      2.331137
  C      -9.718481     -2.287640      3.465754
  C      -8.769270     -1.371399      3.865960
  C      -8.597939     -0.157783      3.153424
  H      -2.354565      0.854112      2.733086
  H      -1.070179     -0.120803      3.492263
  H      -3.479575     -1.338362      4.345496
  H      -2.413767     -1.978140      3.110901
  H      -5.200918      1.210259      0.162956
  H      -7.905448     -2.494878      0.253963
  H      -8.008354     -4.556050      1.656142
  H      -6.277533     -4.962970      3.408291
  H      -4.470358     -3.319837      3.785285
  H      -5.100304      5.050345      5.680864
  H      -4.058626      5.907762      6.830471
  H      -4.600185      7.377622      5.092404
  H      -2.876335      6.996907      4.866347
  H      -6.988290      5.710719      1.669416
  H      -3.296450      4.752708     -0.836261
  H      -0.840705      4.610186     -0.374846
  H       0.041550      5.236053      1.871907
  H      -1.502249      5.969357      3.657319
  H      -7.251275      1.621982      6.334257
  H      -6.859354      2.742581      5.009829
  H      -5.587731      0.674084      3.996992
  H      -6.648141     -0.293794      5.034851
  H      -8.344312      3.091777      1.215887
  H     -11.013753     -0.634795      0.756148
  H     -11.237661     -2.792690      2.004990
  H      -9.833683     -3.225288      4.011813
  H      -8.133764     -1.591209      4.723486
  N      -4.086715      2.720942      3.516895
  N      -4.458662      2.925911      2.359018
  H      -3.697099      3.095740      1.682061
89
Coordinates from ORCA-job orca E -6140.615050264092
  N      -2.368574      0.904281      4.804442
  Mo     -3.565478      2.448357      5.208108
  N      -5.224605      1.977839      6.140206
  C      -5.124667      1.910660      7.596892
  C      -3.765114      1.351711      8.001243
  N      -2.679680      2.078139      7.292170
  C      -1.479718      1.238376      7.067184
  C      -1.712770      0.245865      5.935211
  C      -2.335304      3.383901      7.919993
  C      -2.091349      4.414053      6.807622
  N      -3.148482      4.341066      5.804564
  H      -0.725781     -0.149297      5.627166
  H      -2.290651     -0.631583      6.293753
  H      -0.672039      1.919657      6.760749
  H      -1.167276      0.735082      8.000829
  H      -2.019524      5.424599      7.247569
  H      -1.105009      4.211299      6.350717
  H      -3.177422      3.697626      8.552334
  H      -1.446468      3.267919      8.565503
  H      -5.914781      1.267381      8.022911
  H      -5.261790      2.916024      8.044722
  H      -3.708471      0.297256      7.696200
  H      -3.621093      1.402190      9.096012
  C      -2.117458      0.234018      3.528988
  C      -2.980350     -1.036081      3.332825
  C      -4.105081     -0.898681      2.327366
  N      -4.130529      0.172710      1.553493
  C      -5.175027      0.320546      0.694974
  N      -6.149655     -0.534367      0.465880
  C      -6.127318     -1.678532      1.218227
  C      -7.142863     -2.643608      1.022651
  C      -7.178876     -3.780597      1.802882
  C      -6.197151     -4.001149      2.795078
  C      -5.186592     -3.079424      2.997639
  C      -5.123701     -1.902984      2.212008
  C      -4.100462      5.434962      5.797432
  C      -3.880539      6.577322      4.761406
  C      -4.218176      6.175682      3.360220
  N      -5.514777      6.125029      3.056931
  C      -5.851037      5.776638      1.789459
  N      -5.042223      5.514387      0.779534
  C      -3.711800      5.483190      1.088982
  C      -2.792430      5.031998      0.109474
  C      -1.450161      4.920528      0.410426
  C      -0.971562      5.262724      1.696891
  C      -1.846036      5.695602      2.673355
  C      -3.231426      5.809638      2.397041
  C      -6.552139      1.789163      5.559876
  C      -6.587874      0.638364      4.536291
  C      -7.649976      0.807488      3.486437
  N      -7.595670      1.939400      2.796346
  C      -8.478458      2.114989      1.786449
  N      -9.397937      1.264730      1.366609
  C      -9.485776      0.093921      2.066268
  C     -10.439030     -0.876466      1.667076
  C     -10.563900     -2.057625      2.368473
  C      -9.757758     -2.311147      3.501886
  C      -8.806935     -1.395842      3.900350
  C      -8.636729     -0.181739      3.188531
  H      -2.349722      0.929961      2.714703
  H      -1.047147     -0.035237      3.453218
  H      -3.428463     -1.305183      4.303153
  H      -2.364286     -1.906564      3.047924
  H      -5.191313      1.258667      0.133064
  H      -7.902531     -2.439407      0.267373
  H      -7.989532     -4.499881      1.670868
  H      -6.240960     -4.904256      3.406353
  H      -4.431148     -3.260568      3.763440
  H      -5.120962      5.054441      5.631015
  H      -4.096778      5.911594      6.795783
  H      -4.580205      7.380167      5.039591
  H      -2.858810      6.970406      4.847258
  H      -6.926549      5.702213      1.586444
  H      -3.197381      4.723524     -0.853689
  H      -0.752229      4.552414     -0.343761
  H       0.092260      5.167460      1.920267
  H      -1.478039      5.920740      3.674263
  H      -7.273680      1.577631      6.367863
  H      -6.883308      2.708638      5.052008
  H      -5.621652      0.657415      4.009048
  H      -6.664327     -0.328216      5.049152
  H      -8.394844      3.075652      1.261621
  H     -11.057184     -0.655957      0.795617
  H     -11.280692     -2.813837      2.044112
  H      -9.873479     -3.248411      4.048491
  H      -8.169849     -1.616068      4.756655
  N      -4.157905      2.721159      3.537854
  N      -4.562357      2.927605      2.391091
  H      -3.818344      3.089201      1.692839
89
Coordinates from ORCA-job orca E -6140.617606955011
  N      -2.349859      0.962818      4.777066
  Mo     -3.603657      2.452588      5.213464
  N      -5.244770      1.930352      6.159772
  C      -5.135581      1.838413      7.613880
  C      -3.758302      1.309845      7.997990
  N      -2.699557      2.073089      7.287526
  C      -1.478121      1.267619      7.047810
  C      -1.687578      0.292258      5.896081
  C      -2.386232      3.381860      7.924739
  C      -2.140007      4.418466      6.820258
  N      -3.183173      4.338735      5.801809
  H      -0.693085     -0.079491      5.583184
  H      -2.252058     -0.601054      6.236074
  H      -0.686666      1.973620      6.756046
  H      -1.155575      0.754459      7.972408
  H      -2.086135      5.428447      7.263603
  H      -1.146153      4.228082      6.374384
  H      -3.244538      3.680407      8.542588
  H      -1.507089      3.278485      8.585814
  H      -5.905440      1.165412      8.031373
  H      -5.298853      2.830210      8.083056
  H      -3.676944      0.262015      7.675820
  H      -3.602719      1.347382      9.091628
  C      -2.098520      0.317421      3.489630
  C      -2.939215     -0.964900      3.280003
  C      -4.080895     -0.829547      2.293779
  N      -4.119258      0.239213      1.516457
  C      -5.179408      0.384232      0.676852
  N      -6.159310     -0.469969      0.469191
  C      -6.122405     -1.613000      1.222463
  C      -7.140094     -2.579576      1.046063
  C      -7.159042     -3.717404      1.825691
  C      -6.158669     -3.936307      2.799399
  C      -5.146773     -3.012207      2.983976
  C      -5.100206     -1.835458      2.197528
  C      -4.129785      5.437841      5.765261
  C      -3.869631      6.565843      4.725250
  C      -4.179217      6.147574      3.322196
  N      -5.467769      6.104223      2.989387
  C      -5.777585      5.741601      1.719166
  N      -4.947354      5.468211      0.729636
  C      -3.624128      5.431255      1.069211
  C      -2.684766      4.972302      0.112520
  C      -1.351933      4.848529      0.447481
  C      -0.902210      5.187261      1.745264
  C      -1.795872      5.632727      2.698403
  C      -3.172518      5.760392      2.386853
  C      -6.576833      1.747947      5.586612
  C      -6.618678      0.610859      4.547993
  C      -7.698916      0.784311      3.516783
  N      -7.664186      1.925111      2.840734
  C      -8.556991      2.103197      1.840471
  N      -9.471439      1.248335      1.419008
  C      -9.544159      0.070846      2.109319
  C     -10.495768     -0.902066      1.711995
  C     -10.608044     -2.088584      2.406302
  C      -9.789376     -2.346225      3.529985
  C      -8.838764     -1.429226      3.924985
  C      -8.682009     -0.209083      3.220486
  H      -2.349571      1.022576      2.688672
  H      -1.023823      0.070090      3.400801
  H      -3.367116     -1.262468      4.250801
  H      -2.310011     -1.816789      2.968442
  H      -5.205229      1.319239      0.110106
  H      -7.913944     -2.377023      0.304840
  H      -7.969465     -4.439157      1.706894
  H      -6.188954     -4.839784      3.410917
  H      -4.377375     -3.192254      3.735955
  H      -5.147402      5.061311      5.576153
  H      -4.149058      5.921136      6.760182
  H      -4.562589      7.383414      4.976297
  H      -2.844209      6.944159      4.830093
  H      -6.848978      5.666974      1.494554
  H      -3.068692      4.670542     -0.861657
  H      -0.638552      4.473875     -0.288836
  H       0.154641      5.081289      1.995223
  H      -1.450785      5.857695      3.707424
  H      -7.293187      1.525814      6.396570
  H      -6.913073      2.673024      5.092506
  H      -5.661860      0.647622      4.004859
  H      -6.676938     -0.363919      5.047697
  H      -8.485810      3.069908      1.324332
  H     -11.124342     -0.678133      0.848898
  H     -11.326166     -2.844916      2.085200
  H      -9.896412     -3.287153      4.072032
  H      -8.192355     -1.651517      4.773807
  N      -4.220299      2.738804      3.554931
  N      -4.654328      2.956480      2.420968
  H      -3.925175      3.111953      1.706107
89
Coordinates from ORCA-job orca E -6140.620026615705
  N      -2.332960      1.011423      4.757848
  Mo     -3.638181      2.449741      5.220985
  N      -5.257722      1.881159      6.185757
  C      -5.135792      1.771561      7.637113
  C      -3.741620      1.275934      8.000861
  N      -2.712042      2.072120      7.284336
  C      -1.470980      1.300447      7.032005
  C      -1.661078      0.336124      5.867520
  C      -2.430031      3.386011      7.924790
  C      -2.187587      4.425867      6.824250
  N      -3.220371      4.334675      5.795136
  H      -0.660214     -0.014065      5.549996
  H      -2.210707     -0.570772      6.195818
  H      -0.696684      2.028571      6.749177
  H      -1.135942      0.782569      7.949392
  H      -2.152163      5.436303      7.268195
  H      -1.187447      4.249011      6.386686
  H      -3.302853      3.669806      8.529147
  H      -1.559084      3.299055      8.599345
  H      -5.883662      1.070988      8.049684
  H      -5.323399      2.750647      8.124141
  H      -3.636149      0.234125      7.666097
  H      -3.572765      1.306699      9.092734
  C      -2.078740      0.386556      3.461648
  C      -2.904004     -0.902960      3.237403
  C      -4.055890     -0.767431      2.263408
  N      -4.098815      0.297333      1.480634
  C      -5.167367      0.439981      0.650636
  N      -6.152727     -0.411577      0.458922
  C      -6.110458     -1.551440      1.216554
  C      -7.131485     -2.517035      1.054125
  C      -7.142310     -3.653724      1.835648
  C      -6.131191     -3.871589      2.798467
  C      -5.116814     -2.947626      2.970255
  C      -5.077741     -1.772409      2.180941
  C      -4.160445      5.439907      5.732766
  C      -3.862086      6.559194      4.694516
  C      -4.150027      6.133522      3.289377
  N      -5.431672      6.107976      2.932531
  C      -5.724328      5.735261      1.661030
  N      -4.879563      5.444265      0.688906
  C      -3.563033      5.390759      1.053465
  C      -2.613881      4.910787      0.117722
  C      -1.290428      4.764732      0.479520
  C      -0.860089      5.101083      1.784520
  C      -1.763901      5.568344      2.717716
  C      -3.131253      5.720305      2.377671
  C      -6.594957      1.704089      5.622042
  C      -6.643027      0.577737      4.572385
  C      -7.732575      0.759456      3.551822
  N      -7.702030      1.906371      2.886239
  C      -8.594072      2.090547      1.886515
  N      -9.506363      1.236728      1.457738
  C      -9.579326      0.055376      2.141780
  C     -10.532010     -0.914503      1.739541
  C     -10.646143     -2.104060      2.428463
  C      -9.827561     -2.368354      3.550888
  C      -8.874818     -1.454976      3.949486
  C      -8.716533     -0.231682      3.250888
  H      -2.341215      1.099448      2.671204
  H      -1.000973      0.155273      3.364864
  H      -3.318578     -1.223454      4.206411
  H      -2.265068     -1.739532      2.904341
  H      -5.195335      1.370228      0.076109
  H      -7.913427     -2.315520      0.321047
  H      -7.953661     -4.375920      1.726348
  H      -6.155012     -4.773978      3.411913
  H      -4.339419     -3.127144      3.714097
  H      -5.175444      5.069150      5.521522
  H      -4.200248      5.926491      6.725531
  H      -4.544768      7.391452      4.924619
  H      -2.832461      6.920047      4.817984
  H      -6.792882      5.668194      1.420235
  H      -2.985126      4.611595     -0.861824
  H      -0.569520      4.373601     -0.240793
  H       0.189369      4.975807      2.055882
  H      -1.434960      5.791669      3.732479
  H      -7.306960      1.475849      6.434316
  H      -6.934202      2.633161      5.137767
  H      -5.692225      0.625989      4.019735
  H      -6.691071     -0.403503      5.060592
  H      -8.521901      3.060454      1.376005
  H     -11.160930     -0.685238      0.878062
  H     -11.367163     -2.856713      2.105127
  H      -9.937210     -3.311104      4.089334
  H      -8.228641     -1.681620      4.797454
  N      -4.286321      2.732695      3.572932
  N      -4.752382      2.947060      2.451424
  H      -4.040043      3.089108      1.715571
89
Coordinates from ORCA-job orca E -6140.622260191772
  N      -2.323449      1.067662      4.728377
  Mo     -3.674179      2.453045      5.224259
  N      -5.270402      1.836620      6.204898
  C      -5.133319      1.704997      7.652526
  C      -3.723026      1.241422      7.993302
  N      -2.724055      2.072256      7.273942
  C      -1.464381      1.336866      7.004515
  C      -1.637283      0.386821      5.825340
  C      -2.474263      3.388286      7.922638
  C      -2.238342      4.436822      6.830533
  N      -3.262460      4.335974      5.792732
  H      -0.630826      0.060076      5.500542
  H      -2.169543     -0.534918      6.140892
  H      -0.709033      2.088008      6.731340
  H      -1.114165      0.812073      7.912162
  H      -2.222129      5.445242      7.279819
  H      -1.232323      4.277574      6.399337
  H      -3.361195      3.653135      8.514951
  H      -1.611544      3.315745      8.609712
  H      -5.857483      0.975545      8.057775
  H      -5.344606      2.668411      8.161158
  H      -3.594060      0.207646      7.642053
  H      -3.540496      1.262292      9.083205
  C      -2.071800      0.465020      3.421849
  C      -2.877859     -0.834481      3.186985
  C      -4.043994     -0.704117      2.229692
  N      -4.097886      0.355652      1.440574
  C      -5.177248      0.490621      0.622605
  N      -6.164715     -0.362170      0.450331
  C      -6.111143     -1.497515      1.213986
  C      -7.132018     -2.466108      1.069052
  C      -7.128008     -3.601170      1.853011
  C      -6.103047     -3.813121      2.802345
  C      -5.089592     -2.885230      2.958048
  C      -5.064707     -1.712065      2.165035
  C      -4.193579      5.447029      5.702185
  C      -3.854696      6.555989      4.665466
  C      -4.112934      6.116539      3.258485
  N      -5.385652      6.100184      2.872423
  C      -5.654512      5.705444      1.602030
  N      -4.790731      5.392386      0.653563
  C      -3.482384      5.333793      1.047978
  C      -2.516601      4.836471      0.138763
  C      -1.203263      4.681998      0.532522
  C      -0.800228      5.026741      1.843897
  C      -1.720501      5.513348      2.751047
  C      -3.077651      5.676520      2.377504
  C      -6.614180      1.664710      5.654517
  C      -6.670235      0.549940      4.593312
  C      -7.771968      0.737790      3.586658
  N      -7.752603      1.892260      2.934069
  C      -8.647930      2.080405      1.938126
  N      -9.555831      1.224759      1.503375
  C      -9.621420      0.037934      2.178697
  C     -10.571983     -0.932341      1.772670
  C     -10.679416     -2.127293      2.453394
  C      -9.855169     -2.397294      3.570408
  C      -8.903684     -1.483738      3.971758
  C      -8.752910     -0.254713      3.281921
  H      -2.350627      1.184382      2.642698
  H      -0.991353      0.252404      3.313340
  H      -3.272780     -1.178718      4.155707
  H      -2.228258     -1.653069      2.830097
  H      -5.211771      1.414744      0.038378
  H      -7.924409     -2.269381      0.345908
  H      -7.937112     -4.327535      1.755629
  H      -6.115109     -4.714158      3.418108
  H      -4.301514     -3.060870      3.691419
  H      -5.203988      5.081012      5.464156
  H      -4.258477      5.937634      6.691666
  H      -4.530246      7.400624      4.869457
  H      -2.823176      6.902926      4.811725
  H      -6.718375      5.640185      1.341262
  H      -2.868116      4.532155     -0.846668
  H      -0.469426      4.277328     -0.166960
  H       0.241262      4.893304      2.140821
  H      -1.412445      5.744957      3.770519
  H      -7.318558      1.428076      6.471150
  H      -6.959151      2.597938      5.182849
  H      -5.727155      0.610979      4.028584
  H      -6.705179     -0.438003      5.069103
  H      -8.580736      3.054461      1.434875
  H     -11.205608     -0.698618      0.915858
  H     -11.400968     -2.878778      2.128615
  H      -9.960509     -3.343949      4.102881
  H      -8.253475     -1.713614      4.815849
  N      -4.352421      2.742294      3.588610
  N      -4.848316      2.959958      2.480582
  H      -4.152237      3.088047      1.726961
89
Coordinates from ORCA-job orca E -6140.624333291311
  N      -2.311183      1.116030      4.712518
  Mo     -3.701677      2.452582      5.232845
  N      -5.278227      1.795405      6.223196
  C      -5.130614      1.645810      7.667604
  C      -3.707325      1.212477      7.992445
  N      -2.734720      2.072595      7.272167
  C      -1.458856      1.370044      6.991466
  C      -1.614814      0.431851      5.800537
  C      -2.515513      3.390904      7.926722
  C      -2.283926      4.446976      6.842304
  N      -3.298993      4.335653      5.796097
  H      -0.603069      0.125175      5.472474
  H      -2.132327     -0.502184      6.104481
  H      -0.720261      2.140770      6.727836
  H      -1.096753      0.840156      7.891374
  H      -2.287211      5.453055      7.296835
  H      -1.271826      4.305425      6.418656
  H      -3.416634      3.638976      8.504768
  H      -1.662846      3.331866      8.627768
  H      -5.833195      0.890772      8.064501
  H      -5.364734      2.594473      8.193949
  H      -3.557042      0.185954      7.628542
  H      -3.515199      1.226861      9.080826
  C      -2.058007      0.532759      3.398260
  C      -2.849291     -0.773053      3.149915
  C      -4.024783     -0.644773      2.204379
  N      -4.084499      0.411243      1.410510
  C      -5.170134      0.540929      0.599309
  N      -6.160098     -0.311106      0.440877
  C      -6.100977     -1.442509      1.209969
  C      -7.122747     -2.411983      1.077124
  C      -7.109467     -3.546000      1.862539
  C      -6.075660     -3.754546      2.802863
  C      -5.062356     -2.824906      2.947858
  C      -5.045865     -1.653324      2.152236
  C      -4.215909      5.455312      5.676978
  C      -3.836151      6.552453      4.641217
  C      -4.080602      6.104260      3.234197
  N      -5.347722      6.113891      2.831238
  C      -5.610772      5.704225      1.564218
  N      -4.742255      5.361250      0.630352
  C      -3.439399      5.281668      1.041084
  C      -2.472909      4.760074      0.146622
  C      -1.167676      4.582703      0.557208
  C      -0.773914      4.928410      1.870977
  C      -1.694923      5.440689      2.763408
  C      -3.043879      5.628879      2.372471
  C      -6.627699      1.630136      5.683409
  C      -6.692476      0.524405      4.613206
  C      -7.802081      0.719452      3.615993
  N      -7.789052      1.880707      2.975351
  C      -8.683189      2.073205      1.979217
  N      -9.587020      1.217417      1.536084
  C      -9.650470      0.026169      2.203600
  C     -10.599477     -0.942771      1.791047
  C     -10.704857     -2.142529      2.463589
  C      -9.879132     -2.419396      3.577931
  C      -8.928670     -1.507195      3.985178
  C      -8.780848     -0.272871      3.304309
  H      -2.345901      1.258768      2.628392
  H      -0.975602      0.333882      3.283793
  H      -3.229117     -1.138919      4.116394
  H      -2.191134     -1.575242      2.771683
  H      -5.207054      1.459965      0.006820
  H      -7.921678     -2.218102      0.360421
  H      -7.916742     -4.275241      1.772946
  H      -6.080466     -4.654664      3.420042
  H      -4.267320     -2.998802      3.674006
  H      -5.222856      5.097703      5.414243
  H      -4.301569      5.951375      6.662210
  H      -4.497143      7.412783      4.825469
  H      -2.800339      6.878661      4.804169
  H      -6.673042      5.654918      1.294036
  H      -2.818011      4.458263     -0.842066
  H      -0.433256      4.159841     -0.130779
  H       0.261077      4.776390      2.181387
  H      -1.393230      5.675686      3.784028
  H      -7.326584      1.388735      6.503412
  H      -6.974799      2.567179      5.221358
  H      -5.754909      0.593153      4.039556
  H      -6.719518     -0.468755      5.078549
  H      -8.616393      3.050103      1.481554
  H     -11.234305     -0.703883      0.936571
  H     -11.427307     -2.891506      2.134965
  H      -9.983528     -3.369665      4.104174
  H      -8.277789     -1.741235      4.827640
  N      -4.403689      2.742614      3.607387
  N      -4.922230      2.958557      2.509365
  H      -4.238527      3.065025      1.741114
89
Coordinates from ORCA-job orca E -6140.626282968844
  N      -2.310171      1.168286      4.690855
  Mo     -3.731427      2.459593      5.240202
  N      -5.287418      1.764525      6.239913
  C      -5.126829      1.594171      7.680368
  C      -3.691774      1.187047      7.987011
  N      -2.744596      2.074575      7.266481
  C      -1.456009      1.402436      6.970220
  C      -1.600675      0.478662      5.766585
  C      -2.551536      3.392123      7.930062
  C      -2.326792      4.459127      6.855819
  N      -3.336282      4.340954      5.804108
  H      -0.585485      0.191009      5.431844
  H      -2.103781     -0.466938      6.058827
  H      -0.733464      2.190848      6.715320
  H      -1.080330      0.865444      7.860216
  H      -2.347399      5.460793      7.319223
  H      -1.310201      4.336128      6.436535
  H      -3.464181      3.623050      8.497156
  H      -1.707068      3.342421      8.641810
  H      -5.808346      0.815389      8.068529
  H      -5.380060      2.527091      8.225665
  H      -3.524440      0.168246      7.609215
  H      -3.488699      1.192974      9.073451
  C      -2.059929      0.605154      3.367532
  C      -2.831922     -0.710072      3.107561
  C      -4.019113     -0.590771      2.175900
  N      -4.091717      0.461406      1.377684
  C      -5.184024      0.578975      0.573326
  N      -6.170431     -0.278794      0.427817
  C      -6.098698     -1.405872      1.202071
  C      -7.115369     -2.382168      1.080886
  C      -7.086532     -3.514819      1.867724
  C      -6.042716     -3.714019      2.798907
  C      -5.035036     -2.776845      2.933451
  C      -5.033914     -1.606450      2.135761
  C      -4.235274      5.470837      5.655641
  C      -3.814373      6.552606      4.619008
  C      -4.043226      6.092419      3.212593
  N      -5.303498      6.123377      2.789967
  C      -5.557521      5.694298      1.527504
  N      -4.682875      5.318713      0.611997
  C      -3.386734      5.224037      1.041478
  C      -2.416483      4.677694      0.165988
  C      -1.120544      4.482673      0.597514
  C      -0.740330      4.835003      1.913362
  C      -1.664665      5.374006      2.786396
  C      -3.004156      5.581764      2.374104
  C      -6.643515      1.606681      5.713708
  C      -6.717055      0.510733      4.634464
  C      -7.835032      0.710184      3.647334
  N      -7.833057      1.878412      3.019247
  C      -8.727509      2.072337      2.023853
  N      -9.624222      1.213210      1.572511
  C      -9.679875      0.016533      2.230855
  C     -10.622391     -0.955552      1.810922
  C     -10.718732     -2.161668      2.473422
  C      -9.889873     -2.442344      3.584452
  C      -8.945427     -1.526982      3.998562
  C      -8.807288     -0.285864      3.328236
  H      -2.361000      1.337107      2.608169
  H      -0.975637      0.422715      3.243964
  H      -3.191023     -1.099454      4.072439
  H      -2.163001     -1.492083      2.706331
  H      -5.229506      1.493085     -0.026568
  H      -7.921816     -2.195607      0.370741
  H      -7.888197     -4.251058      1.786273
  H      -6.035244     -4.613126      3.417472
  H      -4.232316     -2.944353      3.652478
  H      -5.238726      5.122693      5.368511
  H      -4.340289      5.975369      6.634651
  H      -4.461485      7.427493      4.781647
  H      -2.775313      6.859230      4.798877
  H      -6.617081      5.658029      1.245157
  H      -2.750559      4.374416     -0.826287
  H      -0.383232      4.041233     -0.075468
  H       0.287120      4.668327      2.240727
  H      -1.372256      5.617040      3.807885
  H      -7.334987      1.358855      6.538079
  H      -6.993974      2.547695      5.262875
  H      -5.785446      0.588484      4.052005
  H      -6.734790     -0.487418      5.089424
  H      -8.666075      3.052992      1.532876
  H     -11.259829     -0.713932      0.959210
  H     -11.437347     -2.911987      2.139683
  H      -9.987545     -3.397601      4.102878
  H      -8.292136     -1.763054      4.838558
  N      -4.458297      2.758724      3.626403
  N      -4.998087      2.979580      2.539564
  H      -4.326779      3.062307      1.757764
89
Coordinates from ORCA-job orca E -6140.628140277319
  N      -2.306013      1.215645      4.675413
  Mo     -3.756297      2.463816      5.248057
  N      -5.293514      1.733165      6.253703
  C      -5.122302      1.545407      7.690772
  C      -3.677058      1.164697      7.983922
  N      -2.753034      2.076709      7.263741
  C      -1.452858      1.433065      6.955744
  C      -1.585700      0.522157      5.741160
  C      -2.585884      3.393635      7.934651
  C      -2.368736      4.470785      6.869974
  N      -3.372609      4.344891      5.812990
  H      -0.567040      0.252222      5.401971
  H      -2.075536     -0.433684      6.022583
  H      -0.745310      2.237458      6.709358
  H      -1.065328      0.890736      7.837352
  H      -2.408024      5.467689      7.342282
  H      -1.347580      4.367601      6.455632
  H      -3.509721      3.607785      8.490215
  H      -1.749765      3.353299      8.656862
  H      -5.783637      0.745026      8.070266
  H      -5.394611      2.463594      8.251756
  H      -3.493086      0.152716      7.595722
  H      -3.465541      1.165044      9.068748
  C      -2.054940      0.671072      3.344821
  C      -2.809815     -0.651231      3.071635
  C      -4.007069     -0.537411      2.152782
  N      -4.090388      0.513239      1.353253
  C      -5.188064      0.622743      0.554919
  N      -6.173230     -0.237976      0.420556
  C      -6.092122     -1.362017      1.198216
  C      -7.106615     -2.341902      1.087402
  C      -7.065509     -3.474365      1.873881
  C      -6.012343     -3.668644      2.795643
  C      -5.007598     -2.727268      2.921045
  C      -5.018147     -1.557162      2.122707
  C      -4.250741      5.486407      5.634578
  C      -3.789017      6.551266      4.597258
  C      -4.009570      6.082534      3.192133
  N      -5.263630      6.140781      2.754493
  C      -5.515779      5.695234      1.497481
  N      -4.641091      5.284280      0.597057
  C      -3.351099      5.168573      1.040310
  C      -2.382964      4.595709      0.179584
  C      -1.096067      4.377841      0.627129
  C      -0.722960      4.733542      1.944168
  C      -1.644506      5.301660      2.801544
  C      -2.974623      5.534064      2.372743
  C      -6.655773      1.581820      5.739754
  C      -6.739228      0.493931      4.653472
  C      -7.863938      0.698280      3.674790
  N      -7.871374      1.873511      3.059833
  C      -8.764553      2.070127      2.063922
  N      -9.654784      1.209018      1.603225
  C      -9.704874      0.006842      2.251996
  C     -10.643002     -0.966281      1.824430
  C     -10.733163     -2.178433      2.476696
  C      -9.901295     -2.465161      3.584014
  C      -8.960993     -1.548732      4.005365
  C      -8.830352     -0.300624      3.346489
  H      -2.365885      1.408791      2.595088
  H      -0.968881      0.503255      3.215510
  H      -3.149103     -1.064007      4.033709
  H      -2.132028     -1.413494      2.647590
  H      -5.240272      1.534174     -0.048912
  H      -7.920004     -2.159152      0.384164
  H      -7.863582     -4.215177      1.799365
  H      -5.995278     -4.567625      3.414245
  H      -4.197776     -2.891650      3.632752
  H      -5.251183      5.149471      5.325076
  H      -4.371783      6.001305      6.606310
  H      -4.418880      7.441606      4.742200
  H      -2.745960      6.835176      4.790817
  H      -6.573425      5.678209      1.206048
  H      -2.710378      4.293608     -0.815488
  H      -0.360602      3.916038     -0.034143
  H       0.297043      4.548152      2.284629
  H      -1.356641      5.550834      3.822894
  H      -7.340382      1.329471      6.568453
  H      -7.008524      2.526258      5.298412
  H      -5.812838      0.577881      4.063539
  H      -6.750268     -0.508230      5.099769
  H      -8.706205      3.054285      1.579334
  H     -11.282778     -0.720292      0.975682
  H     -11.450128     -2.928216      2.138009
  H      -9.994182     -3.425280      4.094366
  H      -8.306158     -1.788407      4.843160
  N      -4.502861      2.766622      3.644485
  N      -5.058357      2.988855      2.565758
  H      -4.397183      3.041300      1.772452
89
Coordinates from ORCA-job orca E -6140.629956058082
  N      -2.309358      1.266491      4.654053
  Mo     -3.783743      2.473689      5.253190
  N      -5.299180      1.707171      6.267220
  C      -5.113236      1.501459      7.700052
  C      -3.657880      1.146447      7.976268
  N      -2.758550      2.082463      7.255434
  C      -1.448558      1.467316      6.931935
  C      -1.573499      0.569907      5.706701
  C      -2.614679      3.397046      7.935117
  C      -2.410220      4.485967      6.880927
  N      -3.412180      4.353030      5.822320
  H      -0.552798      0.318710      5.359236
  H      -2.048226     -0.396144      5.978938
  H      -0.756992      2.287355      6.692247
  H      -1.046311      0.919957      7.803730
  H      -2.467553      5.476872      7.363892
  H      -1.386303      4.404314      6.467803
  H      -3.546785      3.593198      8.483484
  H      -1.783635      3.364804      8.663544
  H      -5.753728      0.680694      8.071969
  H      -5.401805      2.404601      8.277189
  H      -3.459043      0.141631      7.577024
  H      -3.435451      1.140743      9.058839
  C      -2.060721      0.741219      3.315475
  C      -2.795229     -0.590069      3.030959
  C      -4.004407     -0.486120      2.127184
  N      -4.103284      0.562748      1.326547
  C      -5.206554      0.659767      0.534469
  N      -6.186057     -0.208668      0.410228
  C      -6.090645     -1.329233      1.191044
  C      -7.098704     -2.316849      1.090374
  C      -7.041309     -3.448517      1.876755
  C      -5.978162     -3.633598      2.789071
  C      -4.980103     -2.684144      2.905317
  C      -5.007032     -1.514279      2.106666
  C      -4.268554      5.505970      5.615254
  C      -3.766447      6.550981      4.576435
  C      -3.975704      6.069656      3.173752
  N      -5.221114      6.152397      2.715841
  C      -5.465814      5.688600      1.464212
  N      -4.588191      5.241455      0.583869
  C      -3.306852      5.106867      1.046489
  C      -2.337354      4.505295      0.207128
  C      -1.062349      4.266533      0.677604
  C      -0.702682      4.628900      1.996623
  C      -1.624811      5.227510      2.832175
  C      -2.942496      5.483156      2.379325
  C      -6.668452      1.560713      5.769077
  C      -6.762747      0.481864      4.675088
  C      -7.894660      0.691174      3.705864
  N      -7.913424      1.873943      3.105727
  C      -8.805900      2.073436      2.109921
  N      -9.688200      1.209786      1.638643
  C      -9.730217      0.000984      2.275577
  C     -10.660943     -0.974765      1.837794
  C     -10.741557     -2.194564      2.476912
  C      -9.906905     -2.487048      3.580620
  C      -8.973657     -1.567943      4.011629
  C      -8.853317     -0.311573      3.366707
  H      -2.385721      1.483751      2.576506
  H      -0.973087      0.591138      3.177574
  H      -3.110334     -1.027041      3.990303
  H      -2.107856     -1.329948      2.583017
  H      -5.269029      1.567907     -0.073637
  H      -7.919570     -2.141087      0.394100
  H      -7.833412     -4.196377      1.809431
  H      -5.948160     -4.532090      3.407861
  H      -4.162811     -2.841906      3.609853
  H      -5.265784      5.179962      5.285197
  H      -4.403224      6.033002      6.578582
  H      -4.379283      7.455972      4.701680
  H      -2.720527      6.813311      4.784043
  H      -6.519569      5.688623      1.158631
  H      -2.653128      4.200622     -0.790990
  H      -0.326258      3.782640      0.033078
  H       0.307408      4.425579      2.355849
  H      -1.347104      5.484649      3.854356
  H      -7.343888      1.302130      6.603369
  H      -7.025540      2.508510      5.339018
  H      -5.841969      0.572707      4.077235
  H      -6.766833     -0.524389      5.112243
  H      -8.752764      3.062016      1.633703
  H     -11.302976     -0.724622      0.991977
  H     -11.453569     -2.945597      2.130766
  H      -9.992224     -3.453325      4.080561
  H      -8.316818     -1.811417      4.846746
  N      -4.553678      2.782734      3.660883
  N      -5.125757      3.009481      2.591669
  H      -4.477140      3.032253      1.786399
89
Coordinates from ORCA-job orca E -6140.631740388660
  N      -2.313104      1.325410      4.629064
  Mo     -3.812764      2.486526      5.257726
  N      -5.301762      1.679920      6.281912
  C      -5.097101      1.457650      7.709797
  C      -3.631049      1.132729      7.966769
  N      -2.760517      2.094512      7.244316
  C      -1.440348      1.511783      6.902822
  C      -1.557239      0.628134      5.666807
  C      -2.641600      3.406693      7.932609
  C      -2.455788      4.507416      6.888016
  N      -3.457845      4.365029      5.829967
  H      -0.534748      0.399563      5.308996
  H      -2.012688     -0.349540      5.930372
  H      -0.767960      2.349221      6.668971
  H      -1.019963      0.961244      7.763978
  H      -2.532671      5.491946      7.381408
  H      -1.430191      4.450141      6.473953
  H      -3.580260      3.582167      8.476760
  H      -1.813272      3.384602      8.664528
  H      -5.713786      0.615852      8.075138
  H      -5.402300      2.344835      8.303103
  H      -3.415196      0.135928      7.556395
  H      -3.395873      1.122120      9.046595
  C      -2.067174      0.821743      3.281952
  C      -2.780173     -0.517952      2.983948
  C      -4.001816     -0.422029      2.096806
  N      -4.117323      0.627446      1.298539
  C      -5.226828      0.714496      0.514242
  N      -6.200850     -0.161343      0.398706
  C      -6.090285     -1.280454      1.179423
  C      -7.092036     -2.275454      1.087561
  C      -7.017612     -3.408286      1.870645
  C      -5.943620     -3.586637      2.771781
  C      -4.952137     -2.629584      2.880165
  C      -4.996090     -1.458104      2.084255
  C      -4.292788      5.527849      5.592656
  C      -3.749338      6.548567      4.550355
  C      -3.944974      6.048555      3.152280
  N      -5.178296      6.157008      2.667955
  C      -5.412157      5.669129      1.423581
  N      -4.530804      5.177366      0.570780
  C      -3.261735      5.021316      1.059720
  C      -2.290762      4.380377      0.251646
  C      -1.032506      4.117935      0.753618
  C      -0.691071      4.493973      2.073767
  C      -1.613784      5.132940      2.878014
  C      -2.913861      5.415566      2.391709
  C      -6.678314      1.533813      5.802143
  C      -6.783621      0.464773      4.699731
  C      -7.923307      0.680030      3.740869
  N      -7.953906      1.871213      3.158173
  C      -8.845774      2.075773      2.162926
  N      -9.720253      1.210745      1.679488
  C      -9.753975     -0.005830      2.302142
  C     -10.678103     -0.982748      1.852866
  C     -10.749346     -2.211160      2.476412
  C      -9.910952     -2.512050      3.575093
  C      -8.983984     -1.591707      4.016942
  C      -8.874107     -0.325925      3.388771
  H      -2.408281      1.569269      2.555235
  H      -0.978123      0.691750      3.134763
  H      -3.069692     -0.980855      3.938953
  H      -2.084251     -1.233645      2.510215
  H      -5.300393      1.621432     -0.094745
  H      -7.921052     -2.104770      0.399667
  H      -7.803851     -4.162831      1.809166
  H      -5.900044     -4.486212      3.388246
  H      -4.126620     -2.782474      3.576112
  H      -5.286221      5.211169      5.243519
  H      -4.440223      6.069717      6.545795
  H      -4.343482      7.468824      4.652010
  H      -2.701278      6.789080      4.772620
  H      -6.460126      5.687274      1.098937
  H      -2.591176      4.067395     -0.748777
  H      -0.295973      3.603811      0.133412
  H       0.305116      4.269887      2.458665
  H      -1.350966      5.402760      3.900862
  H      -7.342099      1.266697      6.643092
  H      -7.042869      2.484277      5.384843
  H      -5.869049      0.563149      4.093112
  H      -6.780080     -0.545845      5.126806
  H      -8.797556      3.069660      1.696943
  H     -11.323059     -0.726455      1.011063
  H     -11.457211     -2.962327      2.122018
  H      -9.988719     -3.485299      4.062684
  H      -8.324669     -1.840988      4.848452
  N      -4.610462      2.796438      3.679657
  N      -5.201720      3.025306      2.621376
  H      -4.569062      3.021063      1.803106
89
Coordinates from ORCA-job orca E -6140.633413879919
  N      -2.322153      1.378478      4.603023
  Mo     -3.840670      2.500288      5.259574
  N      -5.304166      1.657044      6.292557
  C      -5.079920      1.419706      7.715213
  C      -3.604717      1.121796      7.953001
  N      -2.760738      2.106374      7.229923
  C      -1.432789      1.553045      6.870189
  C      -1.545172      0.681968      5.625180
  C      -2.661840      3.414704      7.927668
  C      -2.496227      4.526873      6.892892
  N      -3.500850      4.376901      5.838258
  H      -0.522343      0.474512      5.255644
  H      -1.981799     -0.305904      5.882285
  H      -0.778173      2.405679      6.640981
  H      -0.994594      1.000014      7.720773
  H      -2.589958      5.504533      7.397274
  H      -1.470650      4.492729      6.475182
  H      -3.603868      3.570924      8.471674
  H      -1.833472      3.400790      8.659688
  H      -5.674626      0.559639      8.074548
  H      -5.398198      2.291888      8.323852
  H      -3.374309      0.132930      7.531491
  H      -3.357166      1.106139      9.029997
  C      -2.079624      0.895289      3.248047
  C      -2.773926     -0.451398      2.938319
  C      -4.005912     -0.365702      2.065197
  N      -4.136225      0.680370      1.263986
  C      -5.250124      0.753261      0.484602
  N      -6.217643     -0.131257      0.379021
  C      -6.093499     -1.244823      1.165303
  C      -7.087721     -2.248461      1.084661
  C      -6.997673     -3.378127      1.870565
  C      -5.915376     -3.544255      2.764214
  C      -4.931607     -2.578470      2.862277
  C      -4.991325     -1.409719      2.063089
  C      -4.312973      5.550721      5.574942
  C      -3.730787      6.549268      4.530556
  C      -3.911696      6.034591      3.136104
  N      -5.132028      6.165429      2.625130
  C      -5.354780      5.654533      1.388182
  N      -4.470583      5.119652      0.564294
  C      -3.213803      4.946915      1.078858
  C      -2.242006      4.268668      0.303071
  C      -0.999770      3.989545      0.835080
  C      -0.675300      4.383898      2.154163
  C      -1.598663      5.059478      2.927003
  C      -2.881916      5.361505      2.408560
  C      -6.687523      1.509105      5.830971
  C      -6.804044      0.447875      4.721662
  C      -7.951288      0.667338      3.772273
  N      -7.993341      1.865471      3.204932
  C      -8.883862      2.073591      2.209270
  N      -9.750899      1.207111      1.715087
  C      -9.777071     -0.015734      2.325648
  C     -10.695334     -0.993569      1.866475
  C     -10.758109     -2.229312      2.476236
  C      -9.915955     -2.537381      3.570109
  C      -8.994520     -1.615898      4.021365
  C      -8.894308     -0.341976      3.408249
  H      -2.435072      1.647016      2.532859
  H      -0.989825      0.783391      3.092257
  H      -3.041172     -0.935686      3.888908
  H      -2.070935     -1.145317      2.442845
  H      -5.333616      1.655882     -0.129769
  H      -7.922813     -2.087166      0.401878
  H      -7.777152     -4.140095      1.816504
  H      -5.859216     -4.441542      3.382963
  H      -4.099685     -2.722021      3.552475
  H      -5.303506      5.244057      5.209855
  H      -4.469125      6.105837      6.518940
  H      -4.306442      7.483127      4.611341
  H      -2.681444      6.768837      4.767648
  H      -6.396347      5.687013      1.044781
  H      -2.528042      3.943097     -0.697558
  H      -0.263245      3.446848      0.239722
  H       0.307379      4.144170      2.563534
  H      -1.350867      5.344053      3.949447
  H      -7.339132      1.233797      6.678792
  H      -7.060291      2.461429      5.425603
  H      -5.895627      0.551982      4.106244
  H      -6.793765     -0.566064      5.140793
  H      -8.839382      3.071385      1.751295
  H     -11.343007     -0.731999      1.028390
  H     -11.462373     -2.980564      2.114814
  H      -9.986793     -3.516536      4.046828
  H      -8.332932     -1.870198      4.849585
  N      -4.664742      2.811628      3.694612
  N      -5.271586      3.044437      2.646650
  H      -4.654503      3.013105      1.816862
89
Coordinates from ORCA-job orca E -6140.634932129142
  N      -2.333831      1.407395      4.587452
  Mo     -3.861987      2.507238      5.260493
  N      -5.309978      1.640155      6.296316
  C      -5.072352      1.391181      7.715032
  C      -3.591751      1.110176      7.940748
  N      -2.764076      2.109567      7.219839
  C      -1.431580      1.575281      6.848599
  C      -1.542412      0.711968      5.598570
  C      -2.677339      3.413553      7.926210
  C      -2.524909      4.534928      6.900503
  N      -3.531462      4.381197      5.848596
  H      -0.520158      0.517562      5.220537
  H      -1.966923     -0.281925      5.852623
  H      -0.788162      2.437327      6.622870
  H      -0.982162      1.020531      7.692171
  H      -2.630977      5.506309      7.414788
  H      -1.499492      4.518275      6.480496
  H      -3.621242      3.556790      8.470391
  H      -1.849217      3.403450      8.658499
  H      -5.652718      0.518957      8.068511
  H      -5.398793      2.252222      8.335152
  H      -3.352058      0.127155      7.510861
  H      -3.337152      1.089968      9.016031
  C      -2.092968      0.937162      3.227995
  C      -2.774570     -0.414201      2.910633
  C      -4.012871     -0.337506      2.046589
  N      -4.151750      0.702218      1.237906
  C      -5.266800      0.760811      0.459149
  N      -6.229873     -0.129884      0.363573
  C      -6.098521     -1.234970      1.160298
  C      -7.087055     -2.245173      1.090953
  C      -6.986957     -3.368693      1.884353
  C      -5.900694     -3.521488      2.775491
  C      -4.923061     -2.548970      2.863308
  C      -4.992557     -1.386315      2.055861
  C      -4.319717      5.566660      5.563740
  C      -3.706430      6.551874      4.522742
  C      -3.877385      6.037506      3.127330
  N      -5.088265      6.188150      2.599520
  C      -5.305605      5.669131      1.365316
  N      -4.422267      5.106914      0.558611
  C      -3.172897      4.922283      1.086952
  C      -2.201228      4.227071      0.326491
  C      -0.966296      3.941902      0.871950
  C      -0.649654      4.344081      2.190273
  C      -1.573742      5.033816      2.949363
  C      -2.848935      5.344591      2.415922
  C      -6.698075      1.493394      5.847985
  C      -6.824591      0.434019      4.737847
  C      -7.976492      0.654913      3.793969
  N      -8.027894      1.857609      3.237253
  C      -8.915496      2.065826      2.238970
  N      -9.775498      1.197212      1.736709
  C      -9.796427     -0.029099      2.340079
  C     -10.710488     -1.007747      1.874644
  C     -10.767930     -2.247748      2.476016
  C      -9.923152     -2.559794      3.566740
  C      -9.005667     -1.637139      4.024014
  C      -8.912305     -0.358052      3.420740
  H      -2.456177      1.691096      2.519495
  H      -1.002837      0.836651      3.067942
  H      -3.026496     -0.912792      3.857614
  H      -2.066885     -1.092318      2.400086
  H      -5.355907      1.657286     -0.163481
  H      -7.924896     -2.094216      0.409249
  H      -7.760747     -4.136647      1.837404
  H      -5.836506     -4.414063      3.400139
  H      -4.087979     -2.682249      3.551502
  H      -5.308186      5.270596      5.185136
  H      -4.481885      6.130451      6.501425
  H      -4.267018      7.495429      4.594515
  H      -2.656347      6.753458      4.772069
  H      -6.342113      5.716466      1.009409
  H      -2.480490      3.895670     -0.674061
  H      -0.229990      3.386788      0.287953
  H       0.326466      4.097169      2.610749
  H      -1.333566      5.324346      3.971748
  H      -7.341201      1.215477      6.701421
  H      -7.074900      2.446651      5.448785
  H      -5.920108      0.537358      4.116234
  H      -6.812266     -0.580538      5.155417
  H      -8.873832      3.065298      1.785136
  H     -11.359882     -0.743108      1.038933
  H     -11.470381     -2.998840      2.110710
  H      -9.989369     -3.542403      4.036880
  H      -8.342934     -1.894140      4.850463
  N      -4.697223      2.823647      3.701631
  N      -5.306621      3.064016      2.657019
  H      -4.699752      2.996327      1.821371
89
Coordinates from ORCA-job orca E -6140.636315735525
  N      -2.349923      1.441658      4.570079
  Mo     -3.886756      2.517510      5.262539
  N      -5.316992      1.626894      6.303961
  C      -5.062589      1.366983      7.717933
  C      -3.576765      1.103191      7.928712
  N      -2.767904      2.118270      7.209164
  C      -1.430970      1.605008      6.824202
  C      -1.540848      0.748839      5.568840
  C      -2.693444      3.418241      7.924143
  C      -2.556288      4.548513      6.906201
  N      -3.565583      4.389344      5.857387
  H      -0.519673      0.569948      5.180473
  H      -1.950234     -0.252144      5.820090
  H      -0.800813      2.477338      6.600708
  H      -0.968133      1.050095      7.660466
  H      -2.674598      5.514087      7.429008
  H      -1.531627      4.549318      6.483579
  H      -3.638015      3.547966      8.470589
  H      -1.864406      3.412620      8.655475
  H      -5.627797      0.482927      8.066806
  H      -5.395572      2.216509      8.350412
  H      -3.327851      0.126624      7.489438
  H      -3.313378      1.078206      9.001828
  C      -2.113481      0.984995      3.205662
  C      -2.775559     -0.373283      2.878292
  C      -4.022311     -0.304077      2.026736
  N      -4.174246      0.736508      1.220652
  C      -5.292503      0.785876      0.446259
  N      -6.249464     -0.111838      0.355296
  C      -6.106400     -1.215869      1.151331
  C      -7.087450     -2.233682      1.086116
  C      -6.973118     -3.358353      1.875738
  C      -5.880507     -3.504346      2.760211
  C      -4.910724     -2.524083      2.844901
  C      -4.994162     -1.360011      2.040528
  C      -4.331824      5.581954      5.545787
  C      -3.687566      6.550438      4.508475
  C      -3.843608      6.027149      3.114846
  N      -5.042566      6.193635      2.565376
  C      -5.249953      5.661154      1.335385
  N      -4.365693      5.068429      0.552125
  C      -3.126383      4.874259      1.099803
  C      -2.152281      4.159954      0.360385
  C      -0.925690      3.873561      0.923428
  C      -0.620797      4.290365      2.239722
  C      -1.548133      4.996337      2.979376
  C      -2.814358      5.311442      2.426672
  C      -6.709949      1.480540      5.872324
  C      -6.846240      0.422193      4.763249
  C      -8.002144      0.645154      3.824874
  N      -8.064494      1.853551      3.281561
  C      -8.950775      2.062722      2.282011
  N      -9.802137      1.191652      1.769855
  C      -9.814944     -0.039895      2.362518
  C     -10.722217     -1.020417      1.888054
  C     -10.771036     -2.266339      2.477719
  C      -9.923244     -2.582751      3.564810
  C      -9.012321     -1.657824      4.030642
  C      -8.928815     -0.372128      3.440276
  H      -2.490899      1.739141      2.505383
  H      -1.023012      0.902098      3.038359
  H      -3.007255     -0.891229      3.819590
  H      -2.062165     -1.030018      2.348003
  H      -5.391081      1.682142     -0.175325
  H      -7.930331     -2.087930      0.409490
  H      -7.740200     -4.133056      1.830817
  H      -5.805260     -4.397953      3.382148
  H      -4.070785     -2.652156      3.527950
  H      -5.316169      5.292661      5.151841
  H      -4.504158      6.157088      6.474782
  H      -4.236190      7.501914      4.565813
  H      -2.638794      6.739623      4.772555
  H      -6.278635      5.726150      0.960770
  H      -2.422266      3.817612     -0.639080
  H      -0.187165      3.305203      0.355098
  H       0.348522      4.041025      2.674354
  H      -1.317497      5.298730      4.000554
  H      -7.343035      1.200036      6.732471
  H      -7.092033      2.433970      5.478981
  H      -5.945432      0.523156      4.135833
  H      -6.832803     -0.592585      5.180253
  H      -8.915923      3.065590      1.835913
  H     -11.373768     -0.752266      1.055144
  H     -11.469354     -3.018250      2.106205
  H      -9.982072     -3.570257      4.025595
  H      -8.347398     -1.918052      4.854326
  N      -4.733936      2.837345      3.710887
  N      -5.346170      3.085809      2.668826
  H      -4.752354      2.982029      1.826908
89
Coordinates from ORCA-job orca E -6140.637566650152
  N      -2.359688      1.453980      4.559109
  Mo     -3.900391      2.520607      5.258403
  N      -5.322352      1.614612      6.298120
  C      -5.060583      1.346090      7.709293
  C      -3.572534      1.091046      7.913913
  N      -2.772565      2.116296      7.199196
  C      -1.432419      1.616205      6.808790
  C      -1.540497      0.764151      5.551189
  C      -2.706104      3.411294      7.923028
  C      -2.578537      4.550478      6.914828
  N      -3.588014      4.389247      5.866976
  H      -0.519996      0.594491      5.157063
  H      -1.940811     -0.240725      5.801372
  H      -0.809889      2.494607      6.587959
  H      -0.963140      1.061040      7.641360
  H      -2.707970      5.509800      7.446774
  H      -1.554021      4.566434      6.492142
  H      -3.651403      3.531001      8.470476
  H      -1.877368      3.406244      8.654646
  H      -5.617872      0.454719      8.052638
  H      -5.398180      2.187488      8.350201
  H      -3.318022      0.119048      7.467836
  H      -3.306760      1.061082      8.986365
  C      -2.122679      1.004245      3.192836
  C      -2.774754     -0.358049      2.862131
  C      -4.025324     -0.297185      2.015844
  N      -4.178589      0.733613      1.197008
  C      -5.295323      0.770234      0.419622
  N      -6.251058     -0.129891      0.339646
  C      -6.108440     -1.222263      1.151562
  C      -7.088392     -2.241980      1.099473
  C      -6.972455     -3.356453      1.903144
  C      -5.879935     -3.489707      2.789818
  C      -4.911666     -2.507160      2.862365
  C      -4.996346     -1.353500      2.043089
  C      -4.334862      5.589791      5.539897
  C      -3.665920      6.553236      4.514249
  C      -3.812498      6.040615      3.115780
  N      -5.003410      6.226860      2.555480
  C      -5.207229      5.701074      1.322117
  N      -4.325894      5.093649      0.547347
  C      -3.092861      4.885604      1.103411
  C      -2.119040      4.168850      0.366101
  C      -0.895397      3.876982      0.932807
  C      -0.594989      4.287328      2.252185
  C      -1.523174      4.993094      2.990808
  C      -2.785411      5.316674      2.433307
  C      -6.718011      1.470230      5.874948
  C      -6.863627      0.406883      4.771669
  C      -8.020538      0.630798      3.834598
  N      -8.087788      1.841362      3.296226
  C      -8.974394      2.049699      2.296247
  N      -9.823513      1.177691      1.782193
  C      -9.833155     -0.055265      2.371799
  C     -10.741353     -1.035135      1.897966
  C     -10.787785     -2.282398      2.485049
  C      -9.935314     -2.600934      3.567830
  C      -9.023626     -1.676284      4.033001
  C      -8.943744     -0.388591      3.446398
  H      -2.505286      1.757467      2.494981
  H      -1.031937      0.929505      3.023712
  H      -2.995396     -0.884600      3.801080
  H      -2.057946     -1.003210      2.322369
  H      -5.393198      1.657050     -0.215492
  H      -7.930954     -2.106152      0.420398
  H      -7.737528     -4.133581      1.866997
  H      -5.803552     -4.375386      3.422850
  H      -4.071967     -2.625329      3.547464
  H      -5.315914      5.309695      5.131631
  H      -4.514837      6.167902      6.465899
  H      -4.204103      7.510622      4.570687
  H      -2.618213      6.729199      4.791594
  H      -6.230329      5.785247      0.937106
  H      -2.386125      3.832274     -0.636057
  H      -0.156114      3.308887      0.365137
  H       0.371876      4.033243      2.689623
  H      -1.295219      5.291497      4.013897
  H      -7.346824      1.194321      6.739797
  H      -7.100253      2.422897      5.480420
  H      -5.963564      0.497893      4.141293
  H      -6.855333     -0.605586      5.194423
  H      -8.942740      3.052847      1.851433
  H     -11.396144     -0.765045      1.068228
  H     -11.488372     -3.033017      2.115154
  H      -9.991882     -3.589475      4.026688
  H      -8.356254     -1.937926      4.854235
  N      -4.749003      2.845280      3.707611
  N      -5.353481      3.102990      2.663323
  H      -4.766672      2.960026      1.821361
89
Coordinates from ORCA-job orca E -6140.638725353913
  N      -2.375567      1.482820      4.536842
  Mo     -3.920931      2.531512      5.253192
  N      -5.328023      1.606329      6.296885
  C      -5.051733      1.327780      7.703419
  C      -3.559954      1.085205      7.894700
  N      -2.775518      2.124119      7.182652
  C      -1.432208      1.642637      6.779867
  C      -1.539698      0.796910      5.517775
  C      -2.718607      3.414109      7.916149
  C      -2.606511      4.562811      6.917050
  N      -3.618335      4.397689      5.872030
  H      -0.520710      0.642268      5.113723
  H      -1.925185     -0.214404      5.765303
  H      -0.821979      2.529996      6.560531
  H      -0.950746      1.088134      7.605970
  H      -2.747527      5.515790      7.457777
  H      -1.583253      4.595882      6.492075
  H      -3.663024      3.520772      8.467796
  H      -1.887768      3.411266      8.645394
  H      -5.597287      0.427433      8.042552
  H      -5.393161      2.159105      8.355470
  H      -3.298976      0.119359      7.439139
  H      -3.286482      1.049384      8.965094
  C      -2.142927      1.045511      3.166168
  C      -2.777761     -0.322875      2.826957
  C      -4.037459     -0.270133      1.993703
  N      -4.203202      0.760084      1.175979
  C      -5.323430      0.787864      0.403320
  N      -6.274001     -0.118245      0.329977
  C      -6.120454     -1.208272      1.142890
  C      -7.094386     -2.234100      1.097182
  C      -6.965907     -3.348026      1.899545
  C      -5.867084     -3.474231      2.779599
  C      -4.904904     -2.485420      2.846429
  C      -5.001924     -1.332234      2.027693
  C      -4.348608      5.602278      5.525460
  C      -3.652165      6.553909      4.508477
  C      -3.778532      6.034330      3.110433
  N      -4.956617      6.230280      2.527038
  C      -5.144780      5.694608      1.295359
  N      -4.258693      5.065397      0.544135
  C      -3.037261      4.851530      1.122485
  C      -2.057071      4.121102      0.407075
  C      -0.842559      3.830739      0.993627
  C      -0.558933      4.254178      2.312738
  C      -1.494432      4.970992      3.030928
  C      -2.747197      5.294641      2.452271
  C      -6.727852      1.461724      5.888556
  C      -6.885710      0.392368      4.792916
  C      -8.045505      0.616559      3.859502
  N      -8.119948      1.829361      3.326931
  C      -9.008240      2.036087      2.327556
  N      -9.852629      1.161498      1.810411
  C      -9.855478     -0.073921      2.395038
  C     -10.759419     -1.056338      1.918354
  C     -10.798579     -2.306319      2.500235
  C      -9.942441     -2.624991      3.580045
  C      -9.034921     -1.697521      4.047777
  C      -8.962934     -0.406695      3.466970
  H      -2.539473      1.798195      2.475678
  H      -1.052374      0.987149      2.989611
  H      -2.977512     -0.866710      3.760465
  H      -2.057124     -0.947601      2.268571
  H      -5.430141      1.673349     -0.232258
  H      -7.941973     -2.103622      0.423277
  H      -7.725740     -4.130506      1.867664
  H      -5.781118     -4.359488      3.412028
  H      -4.060562     -2.598260      3.526658
  H      -5.324139      5.327212      5.101162
  H      -4.540954      6.187165      6.445064
  H      -4.182349      7.516487      4.550987
  H      -2.608067      6.722623      4.803700
  H      -6.158530      5.791786      0.889569
  H      -2.311658      3.775923     -0.595468
  H      -0.097442      3.254237      0.442230
  H       0.400948      4.001232      2.766033
  H      -1.279019      5.279342      4.053889
  H      -7.348574      1.190621      6.760816
  H      -7.112683      2.412810      5.493206
  H      -5.987993      0.471947      4.157400
  H      -6.881573     -0.617306      5.222282
  H      -8.983009      3.040580      1.885750
  H     -11.416896     -0.785904      1.090814
  H     -11.496542     -3.058573      2.128684
  H      -9.992838     -3.615854      4.034674
  H      -8.364589     -1.959496      4.866465
  N      -4.778261      2.859225      3.708205
  N      -5.380593      3.126914      2.664665
  H      -4.806969      2.946388      1.820506
89
Coordinates from ORCA-job orca E -6140.639778351918
  N      -2.392010      1.503477      4.511120
  Mo     -3.938478      2.540826      5.241563
  N      -5.333754      1.599722      6.287032
  C      -5.045837      1.310101      7.689043
  C      -3.551269      1.076268      7.868851
  N      -2.779227      2.127506      7.161256
  C      -1.433591      1.662239      6.747584
  C      -1.540852      0.822184      5.481876
  C      -2.730046      3.411196      7.906050
  C      -2.632240      4.570314      6.917999
  N      -3.645213      4.403637      5.874620
  H      -0.523600      0.681158      5.068592
  H      -1.912878     -0.194677      5.727291
  H      -0.834294      2.557353      6.529429
  H      -0.941356      1.108299      7.567743
  H      -2.784029      5.516224      7.468455
  H      -1.610122      4.619985      6.491709
  H      -3.673062      3.505049      8.462380
  H      -1.896664      3.408504      8.632372
  H      -5.582509      0.402501      8.023254
  H      -5.389484      2.132248      8.351569
  H      -3.285831      0.116319      7.403534
  H      -3.271329      1.033277      8.937349
  C      -2.164694      1.076722      3.136617
  C      -2.785569     -0.296975      2.792512
  C      -4.053686     -0.253499      1.971885
  N      -4.228695      0.771486      1.149116
  C      -5.351044      0.788052      0.379179
  N      -6.297795     -0.122940      0.316151
  C      -6.136754     -1.205837      1.137016
  C      -7.106914     -2.235773      1.103117
  C      -6.969869     -3.343869      1.912075
  C      -5.866278     -3.459674      2.787741
  C      -4.907851     -2.466608      2.843329
  C      -5.013456     -1.319223      2.017446
  C      -4.362242      5.612153      5.515300
  C      -3.640445      6.558078      4.511434
  C      -3.741965      6.035655      3.112192
  N      -4.907874      6.235199      2.506211
  C      -5.076319      5.692999      1.274450
  N      -4.181368      5.051062      0.544956
  C      -2.970418      4.837987      1.144995
  C      -1.978662      4.104632      0.448780
  C      -0.769981      3.825548      1.052431
  C      -0.505645      4.260904      2.371798
  C      -1.454543      4.976769      3.072993
  C      -2.700945      5.291063      2.475627
  C      -6.736633      1.454484      5.890408
  C      -6.906318      0.375092      4.806305
  C      -8.068586      0.597349      3.875589
  N      -8.148450      1.810192      3.343849
  C      -9.041570      2.014038      2.347745
  N      -9.885548      1.137228      1.833965
  C      -9.882122     -0.098713      2.417685
  C     -10.786025     -1.083055      1.944960
  C     -10.819083     -2.333454      2.526416
  C      -9.956185     -2.650542      3.601285
  C      -9.048969     -1.720811      4.065218
  C      -8.983614     -0.429194      3.485192
  H      -2.574190      1.828574      2.452611
  H      -1.074941      1.031958      2.952043
  H      -2.965502     -0.854115      3.722018
  H      -2.062757     -0.904456      2.218057
  H      -5.463742      1.668189     -0.262721
  H      -7.958055     -2.113349      0.432167
  H      -7.726128     -4.130094      1.888558
  H      -5.773697     -4.340374      3.425600
  H      -4.060198     -2.571481      3.520679
  H      -5.331318      5.341921      5.073703
  H      -4.568449      6.198934      6.430976
  H      -4.165831      7.523796      4.541733
  H      -2.601555      6.722519      4.826950
  H      -6.080921      5.796741      0.848363
  H      -2.219724      3.751128     -0.554143
  H      -0.014626      3.249128      0.515020
  H       0.449987      4.017172      2.838948
  H      -1.252967      5.293926      4.096101
  H      -7.351747      1.192780      6.769541
  H      -7.121869      2.402818      5.489414
  H      -6.010272      0.439518      4.166318
  H      -6.908346     -0.629971      5.246372
  H      -9.022450      3.018552      1.906116
  H     -11.448537     -0.813600      1.121103
  H     -11.517792     -3.086913      2.158606
  H     -10.001604     -3.641788      4.055664
  H      -8.374008     -1.981669      4.880439
  N      -4.802809      2.872629      3.700770
  N      -5.400226      3.151232      2.657055
  H      -4.836808      2.938553      1.812771
89
Coordinates from ORCA-job orca E -6140.640727313767
  N      -2.404888      1.520167      4.495693
  Mo     -3.953100      2.547285      5.235487
  N      -5.340476      1.594502      6.280760
  C      -5.045303      1.294512      7.679016
  C      -3.548779      1.068184      7.851420
  N      -2.786569      2.129999      7.148910
  C      -1.438261      1.679216      6.728473
  C      -1.542168      0.843665      5.459491
  C      -2.745644      3.408334      7.903131
  C      -2.656918      4.575686      6.924058
  N      -3.667043      4.408359      5.878007
  H      -0.525509      0.715650      5.040597
  H      -1.901922     -0.178361      5.701818
  H      -0.848775      2.581222      6.511881
  H      -0.937826      1.126617      7.544575
  H      -2.819082      5.515859      7.481499
  H      -1.634334      4.638795      6.500569
  H      -3.688618      3.491365      8.461218
  H      -1.911773      3.405799      8.628878
  H      -5.575087      0.380815      8.007757
  H      -5.391771      2.108435      8.350167
  H      -3.278782      0.113467      7.378066
  H      -3.264647      1.019012      8.918555
  C      -2.178567      1.105203      3.117987
  C      -2.785426     -0.272129      2.764268
  C      -4.059481     -0.234251      1.953701
  N      -4.240623      0.788393      1.128927
  C      -5.364470      0.798437      0.361141
  N      -6.308784     -0.115577      0.304405
  C      -6.143110     -1.194321      1.129780
  C      -7.111512     -2.226225      1.103828
  C      -6.969201     -3.330841      1.916639
  C      -5.862126     -3.440893      2.788651
  C      -4.905481     -2.445871      2.836556
  C      -5.016432     -1.301918      2.006645
  C      -4.369526      5.621232      5.505050
  C      -3.621149      6.559860      4.513929
  C      -3.706524      6.040098      3.112068
  N      -4.860124      6.256857      2.489167
  C      -5.018273      5.717860      1.254592
  N      -4.123343      5.060356      0.539215
  C      -2.922902      4.833170      1.155093
  C      -1.929082      4.092275      0.469738
  C      -0.727040      3.808743      1.084330
  C      -0.473255      4.245140      2.405373
  C      -1.425880      4.965093      3.097260
  C      -2.664953      5.285493      2.488271
  C      -6.745021      1.448527      5.891461
  C      -6.925204      0.354705      4.823439
  C      -8.086885      0.574658      3.891302
  N      -8.166578      1.785433      3.354986
  C      -9.062122      1.986034      2.360139
  N      -9.907426      1.108055      1.851142
  C      -9.902393     -0.126384      2.437937
  C     -10.806818     -1.111961      1.969041
  C     -10.837999     -2.361127      2.553130
  C      -9.972680     -2.675392      3.626866
  C      -9.065390     -1.744010      4.087469
  C      -9.001805     -0.453590      3.504550
  H      -2.598252      1.857527      2.440570
  H      -1.089346      1.073699      2.928746
  H      -2.948222     -0.844129      3.687667
  H      -2.060038     -0.861419      2.174212
  H      -5.480843      1.675095     -0.284711
  H      -7.965224     -2.108269      0.435399
  H      -7.723643     -4.118849      1.898979
  H      -5.765576     -4.318750      3.429789
  H      -4.055666     -2.546376      3.511739
  H      -5.332500      5.357732      5.046535
  H      -4.588381      6.210216      6.416552
  H      -4.135835      7.531564      4.535852
  H      -2.586073      6.713643      4.846920
  H      -6.013898      5.839688      0.813145
  H      -2.163551      3.739645     -0.535091
  H       0.031101      3.228908      0.554629
  H       0.477333      3.998808      2.881322
  H      -1.230980      5.282476      4.121634
  H      -7.358153      1.202183      6.776466
  H      -7.127231      2.392551      5.478341
  H      -6.028912      0.399079      4.181865
  H      -6.937409     -0.643764      5.278147
  H      -9.045050      2.989032      1.915787
  H     -11.470967     -0.844482      1.145900
  H     -11.537354     -3.115513      2.188467
  H     -10.016651     -3.665684      4.083435
  H      -8.388804     -2.002966      4.901888
  N      -4.821496      2.878550      3.696414
  N      -5.411781      3.164081      2.649971
  H      -4.856613      2.918498      1.808796
89
Coordinates from ORCA-job orca E -6140.641571542657
  N      -2.418815      1.530111      4.477246
  Mo     -3.965135      2.554369      5.223897
  N      -5.349039      1.593551      6.265727
  C      -5.049131      1.280212      7.660187
  C      -3.551156      1.057857      7.827316
  N      -2.794487      2.128636      7.132002
  C      -1.444810      1.687822      6.706008
  C      -1.547298      0.856479      5.434505
  C      -2.757792      3.400990      7.896596
  C      -2.675607      4.577343      6.927980
  N      -3.682800      4.412021      5.879304
  H      -0.531398      0.738226      5.010900
  H      -1.898204     -0.169275      5.674010
  H      -0.862077      2.594544      6.490736
  H      -0.938280      1.135330      7.518453
  H      -2.846185      5.511384      7.493398
  H      -1.652561      4.652390      6.507301
  H      -3.700031      3.475007      8.457137
  H      -1.922719      3.395897      8.620900
  H      -5.574634      0.361436      7.981591
  H      -5.397342      2.086129      8.340091
  H      -3.278724      0.108104      7.345451
  H      -3.264151      1.000570      8.893302
  C      -2.193436      1.125941      3.096626
  C      -2.792403     -0.252943      2.735279
  C      -4.072327     -0.219492      1.934506
  N      -4.257928      0.797683      1.103460
  C      -5.383309      0.799693      0.337833
  N      -6.326864     -0.115918      0.291204
  C      -6.158298     -1.187160      1.125550
  C      -7.126089     -2.220027      1.111429
  C      -6.979870     -3.318154      1.932380
  C      -5.869825     -3.420127      2.801608
  C      -4.913784     -2.424230      2.837943
  C      -5.028364     -1.287024      1.999202
  C      -4.373749      5.629262      5.498782
  C      -3.605200      6.564430      4.520239
  C      -3.670222      6.046556      3.116174
  N      -4.813718      6.267057      2.476251
  C      -4.954434      5.730337      1.238410
  N      -4.051651      5.069541      0.536485
  C      -2.860074      4.841517      1.168531
  C      -1.855591      4.104535      0.494539
  C      -0.658869      3.827167      1.122046
  C      -0.422333      4.264340      2.446116
  C      -1.386810      4.977974      3.128036
  C      -2.620189      5.293350      2.505315
  C      -6.754145      1.446653      5.879793
  C      -6.942001      0.335939      4.830119
  C      -8.105072      0.547909      3.897507
  N      -8.188712      1.754960      3.353490
  C      -9.092140      1.949185      2.364339
  N      -9.940821      1.067929      1.867131
  C      -9.929222     -0.163750      2.459631
  C     -10.836930     -1.152066      2.002964
  C     -10.862777     -2.398241      2.593548
  C      -9.987882     -2.706771      3.661252
  C      -9.077984     -1.772204      4.110478
  C      -9.020414     -0.484282      3.521256
  H      -2.619160      1.880007      2.425214
  H      -1.104647      1.102696      2.903700
  H      -2.940944     -0.835945      3.654091
  H      -2.066710     -0.828538      2.132151
  H      -5.502811      1.671082     -0.314465
  H      -7.981913     -2.108440      0.444575
  H      -7.732922     -4.107515      1.922929
  H      -5.770313     -4.292779      3.449387
  H      -4.061903     -2.518772      3.511351
  H      -5.331034      5.371233      5.025610
  H      -4.603635      6.217804      6.407909
  H      -4.114767      7.539023      4.533571
  H      -2.575026      6.713165      4.870347
  H      -5.941245      5.860349      0.780097
  H      -2.077476      3.752612     -0.513417
  H       0.108629      3.252341      0.600405
  H       0.524526      4.023681      2.932393
  H      -1.204165      5.295614      4.154734
  H      -7.367861      1.218240      6.769248
  H      -7.131689      2.385190      5.450908
  H      -6.046018      0.362209      4.186944
  H      -6.961458     -0.654621      5.301611
  H      -9.081306      2.950197      1.915757
  H     -11.508264     -0.888735      1.184312
  H     -11.565773     -3.154318      2.239238
  H     -10.027591     -3.694752      4.123225
  H      -8.395228     -2.026733      4.921123
  N      -4.831817      2.893119      3.685727
  N      -5.411926      3.190656      2.636560
  H      -4.864611      2.915715      1.798745
89
Coordinates from ORCA-job orca E -6140.642340793717
  N      -2.430363      1.542951      4.461309
  Mo     -3.975224      2.564914      5.213032
  N      -5.356677      1.597228      6.251229
  C      -5.053661      1.269183      7.641581
  C      -3.554830      1.050369      7.804446
  N      -2.803363      2.129872      7.117248
  C      -1.451995      1.698661      6.687540
  C      -1.551713      0.871566      5.413114
  C      -2.772364      3.395825      7.892287
  C      -2.693620      4.580856      6.934327
  N      -3.695142      4.419292      5.879885
  H      -0.535957      0.762570      4.986744
  H      -1.894631     -0.157737      5.648898
  H      -0.875394      2.609759      6.474211
  H      -0.940613      1.146091      7.496923
  H      -2.872856      5.508638      7.507434
  H      -1.668995      4.666938      6.519389
  H      -3.715289      3.461059      8.452746
  H      -1.937843      3.387861      8.617144
  H      -5.575296      0.345180      7.954154
  H      -5.403965      2.066567      8.330409
  H      -3.279844      0.105876      7.313832
  H      -3.265555      0.984599      8.869306
  C      -2.204932      1.149542      3.078039
  C      -2.793175     -0.231385      2.707792
  C      -4.077618     -0.201813      1.915417
  N      -4.266743      0.812154      1.080652
  C      -5.393238      0.808423      0.316883
  N      -6.335374     -0.108978      0.276262
  C      -6.164443     -1.175365      1.116161
  C      -7.131435     -2.209174      1.109590
  C      -6.982504     -3.302919      1.935825
  C      -5.870596     -3.399300      2.803262
  C      -4.915172     -2.402780      2.832040
  C      -5.032462     -1.269745      1.987875
  C      -4.373840      5.641377      5.492915
  C      -3.583439      6.571252      4.527571
  C      -3.635145      6.057054      3.121494
  N      -4.766690      6.293914      2.466555
  C      -4.896945      5.763126      1.225039
  N      -3.994421      5.090250      0.534754
  C      -2.814095      4.846556      1.181683
  C      -1.808225      4.102146      0.517819
  C      -0.621227      3.813339      1.158434
  C      -0.396531      4.245752      2.486079
  C      -1.362792      4.966254      3.158266
  C      -2.585939      5.293770      2.522072
  C      -6.761693      1.448946      5.867227
  C      -6.955265      0.320224      4.837501
  C      -8.118677      0.522967      3.903008
  N      -8.203411      1.724131      3.346306
  C      -9.113973      1.910219      2.362063
  N      -9.966962      1.025448      1.879232
  C      -9.950757     -0.201345      2.481422
  C     -10.860773     -1.193462      2.037866
  C     -10.882095     -2.435162      2.637795
  C     -10.000151     -2.734997      3.702223
  C      -9.088740     -1.796157      4.139363
  C      -9.035558     -0.512717      3.540106
  H      -2.636686      1.904908      2.411949
  H      -1.116472      1.135790      2.882884
  H      -2.928153     -0.825551      3.621314
  H      -2.065960     -0.791936      2.092423
  H      -5.515000      1.675945     -0.340078
  H      -7.988568     -2.102029      0.443748
  H      -7.734526     -4.093163      1.931919
  H      -5.769116     -4.268351      3.455508
  H      -4.062261     -2.493350      3.504555
  H      -5.325681      5.390480      5.005189
  H      -4.613322      6.229446      6.399893
  H      -4.082173      7.551482      4.535108
  H      -2.556707      6.708508      4.892244
  H      -5.874419      5.909944      0.752537
  H      -2.020788      3.756107     -0.494243
  H       0.147952      3.234118      0.644217
  H       0.542919      3.997095      2.982595
  H      -1.188459      5.280558      4.187505
  H      -7.377879      1.241149      6.760111
  H      -7.132856      2.380849      5.419572
  H      -6.058949      0.329185      4.194460
  H      -6.981974     -0.661641      5.326584
  H      -9.107280      2.907546      1.905933
  H     -11.537249     -0.936559      1.221463
  H     -11.587139     -3.194097      2.293825
  H     -10.036231     -3.719495      4.171800
  H      -8.401025     -2.044200      4.947791
  N      -4.844513      2.907362      3.676493
  N      -5.419314      3.212712      2.625995
  H      -4.882818      2.910019      1.790400
89
Coordinates from ORCA-job orca E -6140.643053559082
  N      -2.442257      1.551299      4.443705
  Mo     -3.983540      2.575596      5.199077
  N      -5.366737      1.603831      6.230059
  C      -5.063058      1.258115      7.616106
  C      -3.564014      1.040060      7.777289
  N      -2.813949      2.127215      7.100804
  C      -1.461338      1.702808      6.668846
  C      -1.558712      0.880486      5.390959
  C      -2.787064      3.386140      7.887292
  C      -2.708411      4.580508      6.941145
  N      -3.703200      4.425989      5.879551
  H      -0.542847      0.778670      4.962996
  H      -1.895875     -0.151677      5.622571
  H      -0.888620      2.617056      6.458477
  H      -0.947143      1.148931      7.475644
  H      -2.895327      5.501601      7.522744
  H      -1.681438      4.676256      6.533752
  H      -3.731143      3.443846      8.446616
  H      -1.953862      3.373224      8.613606
  H      -5.582861      0.329268      7.917098
  H      -5.415434      2.046345      8.314372
  H      -3.287269      0.100813      7.277692
  H      -3.274682      0.964226      8.841495
  C      -2.216580      1.166976      3.058234
  C      -2.798677     -0.214504      2.680116
  C      -4.087987     -0.186412      1.896376
  N      -4.280201      0.824888      1.058563
  C      -5.408563      0.817146      0.297689
  N      -6.350850     -0.100583      0.263965
  C      -6.178224     -1.162425      1.109074
  C      -7.145768     -2.195958      1.110850
  C      -6.994725     -3.285616      1.942029
  C      -5.880284     -3.377927      2.806735
  C      -4.924120     -2.382086      2.827096
  C      -5.043321     -1.253142      1.977526
  C      -4.369999      5.653563      5.488803
  C      -3.561861      6.580779      4.535926
  C      -3.597396      6.069978      3.128021
  N      -4.719107      6.313171      2.458681
  C      -4.835130      5.785476      1.214420
  N      -3.927397      5.108327      0.535492
  C      -2.756143      4.859817      1.196468
  C      -1.743095      4.115845      0.542962
  C      -0.563347      3.826227      1.196329
  C      -0.353540      4.256295      2.527197
  C      -1.327350      4.975675      3.189655
  C      -2.543025      5.304751      2.540039
  C      -6.770856      1.455041      5.844864
  C      -6.968055      0.306448      4.837387
  C      -8.133162      0.495041      3.901963
  N      -8.220548      1.687531      3.327156
  C      -9.140559      1.860560      2.349152
  N      -9.998822      0.969891      1.887161
  C      -9.976186     -0.249128      2.504699
  C     -10.889552     -1.247206      2.081663
  C     -10.904457     -2.481472      2.696864
  C     -10.012105     -2.767597      3.756518
  C      -9.098294     -1.822358      4.174454
  C      -9.051887     -0.546089      3.559416
  H      -2.651210      1.924357      2.396342
  H      -1.128266      1.158835      2.862162
  H      -2.922289     -0.817936      3.589009
  H      -2.071883     -0.763059      2.053597
  H      -5.532348      1.681703     -0.362778
  H      -8.004692     -2.092103      0.446765
  H      -7.746661     -4.075908      1.944119
  H      -5.777325     -4.243593      3.463263
  H      -4.069510     -2.469859      3.497819
  H      -5.317050      5.409266      4.988562
  H      -4.617736      6.240207      6.394544
  H      -4.054226      7.564274      4.538274
  H      -2.539140      6.710977      4.914216
  H      -5.804340      5.940456      0.727863
  H      -1.943369      3.772512     -0.472586
  H       0.211883      3.248414      0.689590
  H       0.580507      4.007394      3.033756
  H      -1.163836      5.289343      4.220844
  H      -7.391677      1.270239      6.739640
  H      -7.133597      2.379401      5.375848
  H      -6.071790      0.299482      4.194582
  H      -6.999355     -0.665334      5.345940
  H      -9.139261      2.851948      1.880575
  H     -11.573613     -1.000600      1.268404
  H     -11.612558     -3.244795      2.369138
  H     -10.042790     -3.746403      4.238258
  H      -8.403191     -2.060022      4.979707
  N      -4.850748      2.926049      3.663795
  N      -5.419618      3.241530      2.612566
  H      -4.895229      2.914183      1.778218
89
Coordinates from ORCA-job orca E -6140.643735255199
  N      -2.452582      1.564234      4.425416
  Mo     -3.990826      2.589876      5.184627
  N      -5.375566      1.612870      6.207252
  C      -5.072389      1.246827      7.588286
  C      -3.573005      1.030536      7.748283
  N      -2.824743      2.126442      7.083947
  C      -1.470443      1.710038      6.650169
  C      -1.564266      0.893791      5.367951
  C      -2.803173      3.377744      7.882486
  C      -2.723043      4.582012      6.949134
  N      -3.709586      4.435497      5.878969
  H      -0.548059      0.800200      4.938878
  H      -1.895173     -0.141562      5.594229
  H      -0.901869      2.627794      6.443956
  H      -0.953623      1.154309      7.454054
  H      -2.918127      5.495944      7.539434
  H      -1.693245      4.687121      6.550917
  H      -3.749275      3.427774      8.439092
  H      -1.972325      3.359608      8.611377
  H      -5.589725      0.312175      7.875207
  H      -5.428214      2.024023      8.297043
  H      -3.293717      0.097387      7.238801
  H      -3.284089      0.943546      8.811766
  C      -2.226359      1.188911      3.037680
  C      -2.801663     -0.193422      2.651972
  C      -4.094869     -0.166844      1.875187
  N      -4.288227      0.841683      1.033862
  C      -5.417113      0.830553      0.274067
  N      -6.359875     -0.086984      0.245641
  C      -6.187613     -1.144242      1.096381
  C      -7.156809     -2.176393      1.105461
  C      -7.006382     -3.261446      1.942654
  C      -5.890765     -3.350474      2.806320
  C      -4.932601     -2.356528      2.819084
  C      -5.051253     -1.231949      1.963477
  C      -4.365481      5.668209      5.485507
  C      -3.540294      6.591850      4.544361
  C      -3.561575      6.081831      3.135790
  N      -4.671537      6.336155      2.451166
  C      -4.774831      5.811457      1.204564
  N      -3.864398      5.125900      0.537969
  C      -2.704588      4.866454      1.214410
  C      -1.688396      4.116078      0.573222
  C      -0.519481      3.817190      1.241648
  C      -0.324096      4.243651      2.575881
  C      -1.301134      4.969643      3.226353
  C      -2.505710      5.308397      2.561149
  C      -6.777797      1.461299      5.818671
  C      -6.974958      0.293073      4.833301
  C      -8.141877      0.465596      3.897460
  N      -8.231304      1.647959      3.302060
  C      -9.162540      1.807098      2.332305
  N     -10.028356      0.911070      1.895392
  C      -9.999356     -0.298737      2.530577
  C     -10.917607     -1.302524      2.132126
  C     -10.925350     -2.528094      2.764610
  C     -10.020470     -2.799456      3.817647
  C      -9.103066     -1.847979      4.212700
  C      -9.064012     -0.580266      3.579596
  H      -2.664144      1.947911      2.379740
  H      -1.138097      1.186665      2.841146
  H      -2.915257     -0.804854      3.556636
  H      -2.074733     -0.730658      2.015982
  H      -5.541057      1.691817     -0.390662
  H      -8.016313     -2.075299      0.441716
  H      -7.759264     -4.050791      1.950162
  H      -5.788382     -4.212374      3.467856
  H      -4.077440     -2.442082      3.489386
  H      -5.307887      5.430547      4.973465
  H      -4.620222      6.253626      6.390096
  H      -4.025285      7.578980      4.541445
  H      -2.521317      6.714196      4.935091
  H      -5.734502      5.978195      0.703308
  H      -1.876494      3.776371     -0.445841
  H       0.258408      3.235043      0.743997
  H       0.601490      3.987636      3.094298
  H      -1.148334      5.281899      4.259604
  H      -7.404975      1.299316      6.713491
  H      -7.132051      2.377062      5.327429
  H      -6.078422      0.273872      4.191594
  H      -7.008213     -0.668534      5.360641
  H      -9.166437      2.791454      1.849390
  H     -11.610689     -1.067144      1.323213
  H     -11.637380     -3.295717      2.456035
  H     -10.045228     -3.771550      4.313104
  H      -8.399103     -2.074318      5.013538
  N      -4.859364      2.948216      3.651392
  N      -5.428067      3.271096      2.602138
  H      -4.917311      2.925003      1.766555
89
Coordinates from ORCA-job orca E -6140.644419666422
  N      -2.461497      1.571601      4.413023
  Mo     -3.995462      2.603489      5.172150
  N      -5.387443      1.625144      6.181998
  C      -5.089460      1.237450      7.558442
  C      -3.590682      1.019823      7.722135
  N      -2.839342      2.122090      7.072147
  C      -1.483405      1.710027      6.640172
  C      -1.572585      0.899764      5.353615
  C      -2.821851      3.365918      7.882117
  C      -2.733806      4.579366      6.961400
  N      -3.709603      4.444091      5.880339
  H      -0.555212      0.811664      4.926051
  H      -1.900278     -0.137894      5.574150
  H      -0.916074      2.629772      6.439489
  H      -0.967451      1.151415      7.442665
  H      -2.936044      5.486668      7.559650
  H      -1.699801      4.690557      6.575505
  H      -3.771529      3.411333      8.432980
  H      -1.995683      3.340485      8.616125
  H      -5.606785      0.297863      7.828725
  H      -5.449855      2.003521      8.276829
  H      -3.309104      0.092091      7.204128
  H      -3.305919      0.921479      8.785769
  C      -2.232466      1.202495      3.024329
  C      -2.804744     -0.179001      2.631006
  C      -4.099905     -0.149929      1.858076
  N      -4.290592      0.857839      1.014867
  C      -5.418774      0.847388      0.254268
  N      -6.364283     -0.067525      0.228078
  C      -6.196351     -1.122000      1.082952
  C      -7.169708     -2.150430      1.096038
  C      -7.023706     -3.232744      1.937485
  C      -5.908492     -3.322671      2.801687
  C      -4.945987     -2.333011      2.810045
  C      -5.060079     -1.211129      1.950177
  C      -4.352158      5.683305      5.484887
  C      -3.511188      6.603684      4.554484
  C      -3.522998      6.099174      3.143657
  N      -4.624422      6.364600      2.449625
  C      -4.719712      5.846028      1.199883
  N      -3.808341      5.156095      0.539202
  C      -2.656453      4.886364      1.224779
  C      -1.638271      4.134136      0.588799
  C      -0.476767      3.826453      1.266017
  C      -0.291242      4.244624      2.604285
  C      -1.270281      4.972494      3.249680
  C      -2.466916      5.321086      2.575280
  C      -6.786541      1.471324      5.785603
  C      -6.982055      0.280032      4.826796
  C      -8.150031      0.432119      3.889169
  N      -8.238691      1.599825      3.265075
  C      -9.179349      1.739838      2.301351
  N     -10.053380      0.837593      1.894696
  C     -10.020860     -0.358160      2.555652
  C     -10.944010     -1.368737      2.186654
  C     -10.946160     -2.581509      2.843288
  C     -10.030439     -2.832786      3.892135
  C      -9.109683     -1.873784      4.260018
  C      -9.076443     -0.618693      3.601770
  H      -2.669403      1.963601      2.368390
  H      -1.143884      1.202173      2.830303
  H      -2.912740     -0.797332      3.531493
  H      -2.078163     -0.707865      1.987786
  H      -5.539589      1.706841     -0.413401
  H      -8.028512     -2.048839      0.431464
  H      -7.779419     -4.019317      1.947995
  H      -5.809815     -4.182133      3.466925
  H      -4.091407     -2.419535      3.480947
  H      -5.291346      5.454101      4.963160
  H      -4.611167      6.267735      6.388933
  H      -3.988248      7.594612      4.550829
  H      -2.494692      6.716398      4.954497
  H      -5.672807      6.022473      0.689750
  H      -1.817774      3.800346     -0.433765
  H       0.302743      3.243314      0.772048
  H       0.628318      3.981171      3.129671
  H      -1.124815      5.279865      4.285417
  H      -7.423010      1.336034      6.678408
  H      -7.129513      2.376642      5.268273
  H      -6.084438      0.246685      4.187696
  H      -7.017109     -0.668934      5.376333
  H      -9.185453      2.712884      1.796468
  H     -11.644478     -1.148863      1.379759
  H     -11.661857     -3.354406      2.557214
  H     -10.050292     -3.795140      4.406452
  H      -8.398002     -2.084847      5.058248
  N      -4.859361      2.972125      3.638966
  N      -5.427223      3.302267      2.591255
  H      -4.931070      2.938327      1.754557
89
Coordinates from ORCA-job orca E -6140.645148716328
  N      -2.469664      1.582565      4.399221
  Mo     -3.999724      2.620606      5.158402
  N      -5.399871      1.639398      6.152283
  C      -5.109014      1.227575      7.523536
  C      -3.610961      1.009390      7.692966
  N      -2.855875      2.118458      7.059371
  C      -1.498056      1.710788      6.630077
  C      -1.581591      0.908057      5.338332
  C      -2.843009      3.354235      7.881387
  C      -2.744660      4.577615      6.974776
  N      -3.708241      4.455140      5.881884
  H      -0.562641      0.825557      4.913277
  H      -1.906552     -0.132038      5.551694
  H      -0.931432      2.632518      6.436610
  H      -0.983882      1.148240      7.431033
  H      -2.954630      5.477583      7.581622
  H      -1.705937      4.694548      6.602956
  H      -3.797284      3.395538      8.424581
  H      -2.022854      3.320491      8.621854
  H      -5.625569      0.282141      7.774204
  H      -5.476300      1.980527      8.252084
  H      -3.325935      0.087753      7.166063
  H      -3.331909      0.898822      8.756946
  C      -2.235982      1.219647      3.009723
  C      -2.807508     -0.159808      2.607648
  C      -4.102645     -0.125161      1.835067
  N      -4.285453      0.882235      0.989380
  C      -5.410818      0.875811      0.224849
  N      -6.362229     -0.033147      0.199052
  C      -6.204407     -1.084753      1.059143
  C      -7.186251     -2.105335      1.075113
  C      -7.051023     -3.184630      1.922169
  C      -5.938231     -3.279369      2.789179
  C      -4.967159     -2.298141      2.794179
  C      -5.070358     -1.179187      1.928978
  C      -4.336426      5.701366      5.484776
  C      -3.480238      6.617350      4.563801
  C      -3.481915      6.114647      3.152181
  N      -4.575531      6.386842      2.448536
  C      -4.663144      5.868885      1.197998
  N      -3.749923      5.173890      0.545105
  C      -2.605224      4.898239      1.240152
  C      -1.584992      4.142031      0.612220
  C      -0.431009      3.828106      1.299409
  C      -0.255446      4.243008      2.640073
  C      -1.236526      4.975063      3.277665
  C      -2.425112      5.330777      2.592756
  C      -6.794690      1.480559      5.745615
  C      -6.986006      0.262550      4.818557
  C      -8.155080      0.388382      3.879004
  N      -8.241404      1.536460      3.218883
  C      -9.191762      1.653136      2.261493
  N     -10.076588      0.745001      1.892737
  C     -10.042173     -0.431664      2.587059
  C     -10.972586     -1.448680      2.255683
  C     -10.969453     -2.644343      2.942933
  C     -10.040747     -2.871587      3.986119
  C      -9.114983     -1.904973      4.319695
  C      -9.087516     -0.666703      3.629860
  H      -2.669796      1.983669      2.355247
  H      -1.146671      1.219194      2.820269
  H      -2.913546     -0.784569      3.503784
  H      -2.081076     -0.682169      1.959100
  H      -5.523726      1.733386     -0.446694
  H      -8.042457     -2.000202      0.407713
  H      -7.812886     -3.965265      1.934909
  H      -5.848271     -4.136103      3.459168
  H      -4.114863     -2.388480      3.467513
  H      -5.272768      5.481163      4.954162
  H      -4.598233      6.285600      6.388183
  H      -3.950521      7.611449      4.557728
  H      -2.466486      6.721936      4.972906
  H      -5.610990      6.049742      0.679685
  H      -1.755819      3.809528     -0.412178
  H       0.350021      3.242003      0.811303
  H       0.657871      3.973791      3.173439
  H      -1.099031      5.281101      4.314885
  H      -7.442179      1.374847      6.634686
  H      -7.125743      2.372447      5.198622
  H      -6.086896      0.214756      4.182985
  H      -7.020864     -0.671043      5.393743
  H      -9.197638      2.610576      1.727621
  H     -11.681670     -1.247672      1.451368
  H     -11.690550     -3.422274      2.685426
  H     -10.055814     -3.820976      4.524173
  H      -8.394499     -2.097532      5.114801
  N      -4.859379      3.001810      3.626093
  N      -5.431843      3.338031      2.582898
  H      -4.952419      2.961735      1.741982
89
Coordinates from ORCA-job orca E -6140.645866315562
  N      -2.477744      1.593334      4.385320
  Mo     -4.003971      2.637394      5.144494
  N      -5.412037      1.653085      6.122129
  C      -5.128355      1.217131      7.487737
  C      -3.631041      0.998783      7.663141
  N      -2.872530      2.114723      7.046222
  C      -1.512707      1.711744      6.619824
  C      -1.590370      0.916438      5.323005
  C      -2.864809      3.342355      7.880169
  C      -2.756469      4.575580      6.987915
  N      -3.707489      4.465780      5.883327
  H      -0.569834      0.839726      4.900539
  H      -1.912321     -0.126105      5.529273
  H      -0.947014      2.635534      6.433565
  H      -1.000223      1.145450      7.419296
  H      -2.974658      5.468022      7.603165
  H      -1.713163      4.698418      6.630527
  H      -3.823701      3.379380      8.415489
  H      -2.050814      3.300452      8.627070
  H      -5.643721      0.265987      7.718473
  H      -5.502980      1.956572      8.226174
  H      -3.342161      0.083470      7.127405
  H      -3.357822      0.875985      8.727328
  C      -2.239384      1.236604      2.995071
  C      -2.810396     -0.140751      2.584550
  C      -4.105624     -0.099911      1.812538
  N      -4.279772      0.907018      0.964166
  C      -5.402253      0.905341      0.195682
  N      -6.360285      0.003189      0.170474
  C      -6.213479     -1.045332      1.036035
  C      -7.204729     -2.057027      1.055124
  C      -7.081326     -3.133047      1.908063
  C      -5.971067     -3.233379      2.777926
  C      -4.990520     -2.261625      2.779335
  C      -5.081756     -1.145857      1.908521
  C      -4.321323      5.718822      5.484620
  C      -3.450249      6.630324      4.573025
  C      -3.441891      6.129103      3.160802
  N      -4.527769      6.407661      2.447764
  C      -4.607925      5.889852      1.196683
  N      -3.693015      5.189653      0.551634
  C      -2.555408      4.908513      1.255921
  C      -1.533282      4.148165      0.636114
  C      -0.386737      3.828423      1.333056
  C      -0.220911      4.240616      2.675831
  C      -1.203890      4.976982      3.305566
  C      -2.384488      5.339408      2.610358
  C      -6.802283      1.488983      5.704806
  C      -6.988769      0.244844      4.810474
  C      -8.158189      0.343796      3.868783
  N      -8.242013      1.470807      3.172720
  C      -9.201318      1.564064      2.221600
  N     -10.096293      0.651168      1.890604
  C     -10.060168     -0.505231      2.618165
  C     -10.997203     -1.527758      2.324274
  C     -10.988948     -2.705318      3.042041
  C     -10.048080     -2.908424      4.079576
  C      -9.117920     -1.934983      4.378991
  C      -9.096070     -0.714550      3.657683
  H      -2.670072      2.003434      2.341970
  H      -1.149367      1.235979      2.810175
  H      -2.914497     -0.771761      3.476388
  H      -2.084411     -0.656885      1.930673
  H      -5.506514      1.760888     -0.479921
  H      -8.058194     -1.947758      0.384853
  H      -7.850086     -3.906928      1.923207
  H      -5.890641     -4.087162      3.452891
  H      -4.140643     -2.356373      3.455153
  H      -5.254662      5.507451      4.945227
  H      -4.585955      6.302930      6.387328
  H      -3.913881      7.627472      4.564534
  H      -2.439338      6.727009      4.991032
  H      -5.550612      6.074722      0.670413
  H      -1.695614      3.816430     -0.389836
  H       0.395694      3.239231      0.850864
  H       0.686208      3.965936      3.217007
  H      -1.074196      5.282115      4.344058
  H      -7.461165      1.412999      6.588739
  H      -7.120908      2.366341      5.128284
  H      -6.087680      0.182740      4.179466
  H      -7.023800     -0.672506      5.411129
  H      -9.206833      2.504814      1.658834
  H     -11.714292     -1.345790      1.522497
  H     -11.714920     -3.487602      2.813000
  H     -10.058503     -3.844105      4.641261
  H      -8.389230     -2.108891      5.171016
  N      -4.859320      3.030861      3.613063
  N      -5.436434      3.373080      2.574470
  H      -4.974340      2.984434      1.729530
89
Coordinates from ORCA-job orca E -6140.646481212137
  N      -2.487071      1.601589      4.371513
  Mo     -4.008423      2.654033      5.130269
  N      -5.423255      1.666902      6.092981
  C      -5.145815      1.207761      7.452631
  C      -3.649008      0.989556      7.633354
  N      -2.887552      2.111857      7.031908
  C      -1.526068      1.713169      6.608101
  C      -1.599070      0.924029      5.307542
  C      -2.883448      3.331635      7.876893
  C      -2.766819      4.574107      6.998551
  N      -3.707499      4.475705      5.884956
  H      -0.577525      0.852846      4.886450
  H      -1.917500     -0.120685      5.508597
  H      -0.961301      2.638697      6.427771
  H      -1.014793      1.143761      7.406188
  H      -2.992422      5.459071      7.622089
  H      -1.719948      4.702620      6.653235
  H      -3.845872      3.365039      8.406047
  H      -2.074155      3.282023      8.628455
  H      -5.659764      0.251453      7.664371
  H      -5.527245      1.934164      8.200301
  H      -3.356652      0.080259      7.089379
  H      -3.381038      0.855326      8.697509
  C      -2.242641      1.251170      2.980742
  C      -2.809286     -0.126329      2.564063
  C      -4.105062     -0.086538      1.793226
  N      -4.279425      0.921307      0.945697
  C      -5.399840      0.917687      0.174522
  N      -6.357507      0.014951      0.148332
  C      -6.212338     -1.032076      1.015736
  C      -7.204080     -2.043582      1.035038
  C      -7.081499     -3.119120      1.888703
  C      -5.972056     -3.218656      2.759875
  C      -4.991028     -2.247458      2.761015
  C      -5.081033     -1.132392      1.889028
  C      -4.309376      5.735286      5.487660
  C      -3.426610      6.644457      4.584772
  C      -3.408711      6.145043      3.172010
  N      -4.487564      6.429557      2.450649
  C      -4.561060      5.912371      1.199010
  N      -3.644751      5.207422      0.560954
  C      -2.513514      4.921329      1.273341
  C      -1.489564      4.158143      0.660292
  C      -0.349548      3.833302      1.365640
  C      -0.192525      4.242333      2.710487
  C      -1.177328      4.981870      3.333704
  C      -2.350774      5.350354      2.629512
  C      -6.809163      1.498462      5.665595
  C      -6.992712      0.231947      4.800624
  C      -8.162775      0.309688      3.858372
  N      -8.241572      1.417861      3.131770
  C      -9.210447      1.495389      2.188987
  N     -10.119571      0.583979      1.893926
  C     -10.084980     -0.554276      2.649694
  C     -11.034602     -1.575087      2.392455
  C     -11.025566     -2.736314      3.136292
  C     -10.070213     -2.924828      4.163578
  C      -9.129953     -1.951451      4.429742
  C      -9.110041     -0.746591      3.682419
  H      -2.672227      2.019214      2.328463
  H      -1.151946      1.252798      2.800332
  H      -2.908840     -0.762357      3.452702
  H      -2.082240     -0.634603      1.905396
  H      -5.503184      1.772423     -0.502311
  H      -8.056335     -1.935181      0.363076
  H      -7.849337     -3.893972      1.902868
  H      -5.892490     -4.071786      3.435744
  H      -4.141828     -2.341860      3.437733
  H      -5.240435      5.532271      4.941240
  H      -4.574962      6.317913      6.391047
  H      -3.885572      7.643667      4.574903
  H      -2.418362      6.734682      5.010553
  H      -5.498706      6.101605      0.665307
  H      -1.644037      3.827847     -0.367226
  H       0.434284      3.242052      0.888237
  H       0.709040      3.962665      3.258380
  H      -1.054843      5.285790      4.373410
  H      -7.478861      1.449937      6.543548
  H      -7.115193      2.362286      5.062893
  H      -6.089945      0.157170      4.173832
  H      -7.028834     -0.670542      5.423214
  H      -9.212643      2.420623      1.601029
  H     -11.761287     -1.404961      1.596733
  H     -11.762033     -3.516683      2.936007
  H     -10.079356     -3.848182      4.745324
  H      -8.392197     -2.113550      5.215936
  N      -4.860560      3.060082      3.599538
  N      -5.443678      3.407681      2.566471
  H      -4.997308      3.011338      1.716534
89
Coordinates from ORCA-job orca E -6140.647118418192
  N      -2.494620      1.611883      4.357653
  Mo     -4.012864      2.668315      5.117031
  N      -5.434409      1.677808      6.064409
  C      -5.163310      1.196868      7.418045
  C      -3.667177      0.978914      7.604226
  N      -2.903335      2.107835      7.018804
  C      -1.539619      1.714711      6.597672
  C      -1.606270      0.932803      5.292014
  C      -2.905659      3.319662      7.875013
  C      -2.780937      4.571260      7.010520
  N      -3.709024      4.484490      5.885843
  H      -0.583220      0.868336      4.873361
  H      -1.920537     -0.114571      5.486051
  H      -0.976631      2.642677      6.424366
  H      -1.029375      1.142169      7.394250
  H      -3.015402      5.448777      7.641522
  H      -1.730026      4.706033      6.679568
  H      -3.872452      3.348039      8.396449
  H      -2.102448      3.262896      8.632650
  H      -5.675503      0.235687      7.611149
  H      -5.551964      1.910272      8.174362
  H      -3.370641      0.075951      7.052036
  H      -3.404539      0.833231      8.668234
  C      -2.246824      1.268197      2.965860
  C      -2.812029     -0.107342      2.540324
  C      -4.109973     -0.060865      1.773427
  N      -4.277693      0.947127      0.924406
  C      -5.397460      0.949538      0.152596
  N      -6.361914      0.053918      0.128629
  C      -6.225346     -0.991108      0.999630
  C      -7.226722     -1.993187      1.023785
  C      -7.113788     -3.066393      1.881556
  C      -6.004215     -3.173243      2.751941
  C      -5.013674     -2.211710      2.748173
  C      -5.094101     -1.098722      1.872466
  C      -4.296866      5.749955      5.486092
  C      -3.399406      6.654299      4.592798
  C      -3.371823      6.156810      3.179366
  N      -4.442161      6.448930      2.448470
  C      -4.507687      5.933200      1.195788
  N      -3.590180      5.222821      0.565468
  C      -2.466985      4.929591      1.287403
  C      -1.441200      4.162341      0.682352
  C      -0.309304      3.830793      1.397594
  C      -0.162487      4.236251      2.744696
  C      -1.148986      4.980075      3.360102
  C      -2.313828      5.356041      2.645599
  C      -6.815878      1.504912      5.627321
  C      -6.995665      0.214707      4.795962
  C      -8.163987      0.266895      3.850451
  N      -8.238883      1.352470      3.089834
  C      -9.213051      1.407126      2.150717
  N     -10.129086      0.492474      1.888451
  C     -10.094224     -0.624546      2.675319
  C     -11.047566     -1.649645      2.450571
  C     -11.036148     -2.791242      3.224179
  C     -10.074578     -2.955172      4.250071
  C      -9.132044     -1.976401      4.486216
  C      -9.114750     -0.791088      3.708028
  H      -2.674825      2.038791      2.315717
  H      -1.155650      1.271071      2.788777
  H      -2.906962     -0.750900      3.423921
  H      -2.086539     -0.607913      1.874189
  H      -5.493862      1.803030     -0.526914
  H      -8.078621     -1.879244      0.352236
  H      -7.889218     -3.833712      1.899821
  H      -5.932436     -4.024230      3.431393
  H      -4.165086     -2.311522      3.424950
  H      -5.224319      5.554900      4.930720
  H      -4.566279      6.332866      6.388217
  H      -3.851341      7.656640      4.580946
  H      -2.394140      6.736451      5.027221
  H      -5.439179      6.128410      0.653575
  H      -1.586599      3.833850     -0.347045
  H       0.475883      3.236572      0.926053
  H       0.732415      3.950576      3.300426
  H      -1.034550      5.282424      4.401180
  H      -7.496314      1.485691      6.498349
  H      -7.108779      2.352964      4.996793
  H      -6.090129      0.124352      4.175682
  H      -7.034470     -0.670166      5.443115
  H      -9.214604      2.314903      1.536220
  H     -11.778226     -1.498845      1.654552
  H     -11.775152     -3.575131      3.048597
  H     -10.081349     -3.863591      4.854923
  H      -8.390021     -2.119667      5.272113
  N      -4.860544      3.084773      3.587347
  N      -5.446337      3.438642      2.557812
  H      -5.017164      3.028650      1.705717
89
Coordinates from ORCA-job orca E -6140.647700416295
  N      -2.504348      1.621156      4.342398
  Mo     -4.018377      2.682927      5.103060
  N      -5.444677      1.688820      6.037568
  C      -5.178150      1.187447      7.384892
  C      -3.682346      0.970054      7.574789
  N      -2.917296      2.105337      7.003668
  C      -1.551738      1.717986      6.583949
  C      -1.613439      0.942362      5.274144
  C      -2.924976      3.309184      7.870724
  C      -2.794617      4.569525      7.019750
  N      -3.712270      4.493160      5.886255
  H      -0.589626      0.885115      4.856205
  H      -1.922377     -0.107662      5.462696
  H      -0.991050      2.648389      6.416248
  H      -1.041365      1.143007      7.378748
  H      -3.037263      5.439560      7.658188
  H      -1.740694      4.710739      6.700820
  H      -3.895048      3.332452      8.386288
  H      -2.126314      3.245755      8.632673
  H      -5.688212      0.221879      7.560779
  H      -5.573032      1.888393      8.149504
  H      -3.382322      0.073091      7.014797
  H      -3.423616      0.813784      8.638259
  C      -2.253663      1.284358      2.949445
  C      -2.814318     -0.090911      2.516572
  C      -4.115045     -0.043403      1.754531
  N      -4.282500      0.964880      0.905483
  C      -5.401937      0.967460      0.133515
  N      -6.367495      0.072863      0.110624
  C      -6.232723     -0.970576      0.983605
  C      -7.237212     -1.969587      1.011491
  C      -7.127078     -3.040487      1.872398
  C      -6.016530     -3.148762      2.741542
  C      -5.022672     -2.190676      2.733803
  C      -5.100892     -1.079249      1.855816
  C      -4.287886      5.764177      5.486134
  C      -3.376760      6.664721      4.603021
  C      -3.338664      6.169251      3.189039
  N      -4.399299      6.470493      2.447745
  C      -4.455305      5.958311      1.193210
  N      -3.536296      5.242839      0.570862
  C      -2.422469      4.940769      1.303341
  C      -1.394013      4.170998      0.706021
  C      -0.271154      3.831624      1.431796
  C      -0.136363      4.231050      2.781993
  C      -1.125266      4.977984      3.389747
  C      -2.280532      5.362565      2.664310
  C      -6.821995      1.510815      5.592173
  C      -6.999600      0.199275      4.793048
  C      -8.166166      0.230235      3.845144
  N      -8.235924      1.295791      3.055951
  C      -9.215895      1.333915      2.121956
  N     -10.140971      0.420263      1.889433
  C     -10.107449     -0.678286      2.701983
  C     -11.067917     -1.702858      2.506956
  C     -11.056919     -2.827065      3.305613
  C     -10.088186     -2.973760      4.327502
  C      -9.139977     -1.994284      4.536242
  C      -9.122734     -0.826026      3.732466
  H      -2.682479      2.056343      2.301581
  H      -1.162208      1.290688      2.774539
  H      -2.902035     -0.741384      3.395735
  H      -2.089399     -0.582052      1.842945
  H      -5.497022      1.819937     -0.547506
  H      -8.089534     -1.854800      0.340599
  H      -7.905065     -3.805278      1.893875
  H      -5.946892     -3.997985      3.423416
  H      -4.173855     -2.291330      3.410213
  H      -5.211782      5.576973      4.922224
  H      -4.560530      6.346296      6.387825
  H      -3.822378      7.669807      4.589285
  H      -2.374836      6.739303      5.046459
  H      -5.378950      6.162220      0.640943
  H      -1.528758      3.847111     -0.326286
  H       0.516186      3.235796      0.965856
  H       0.751197      3.938659      3.345983
  H      -1.020173      5.276977      4.432773
  H      -7.512302      1.519755      6.455849
  H      -7.102123      2.343025      4.935619
  H      -6.091536      0.093832      4.179192
  H      -7.042166     -0.668433      5.462761
  H      -9.215684      2.226209      1.485326
  H     -11.803316     -1.565732      1.712804
  H     -11.801677     -3.610354      3.153239
  H     -10.094754     -3.868972      4.951731
  H      -8.393288     -2.124217      5.320032
  N      -4.863900      3.109633      3.575004
  N      -5.453353      3.469531      2.549632
  H      -5.039306      3.049767      1.694905
89
Coordinates from ORCA-job orca E -6140.648255935186
  N      -2.514397      1.630496      4.326923
  Mo     -4.024315      2.697095      5.089366
  N      -5.455016      1.698997      6.011140
  C      -5.192660      1.178715      7.352317
  C      -3.697212      0.962097      7.546064
  N      -2.931104      2.103235      6.988634
  C      -1.563888      1.721524      6.569960
  C      -1.620798      0.952081      5.256076
  C      -2.944107      3.299314      7.866050
  C      -2.808957      4.568002      7.028231
  N      -3.716428      4.501721      5.886406
  H      -0.596271      0.902233      4.838845
  H      -1.924094     -0.100641      5.439068
  H      -1.005568      2.654348      6.407635
  H      -1.053140      1.144313      7.362959
  H      -3.059817      5.430626      7.673754
  H      -1.752312      4.715714      6.721063
  H      -3.917201      3.317380      8.376087
  H      -2.149742      3.229565      8.631976
  H      -5.700233      0.209042      7.511687
  H      -5.593944      1.867575      8.124467
  H      -3.393527      0.070812      6.979057
  H      -3.442404      0.796122      8.609024
  C      -2.260638      1.301109      2.932785
  C      -2.817654     -0.072870      2.490964
  C      -4.120455     -0.022078      1.732755
  N      -4.285589      0.987416      0.884426
  C      -5.404561      0.992939      0.112132
  N      -6.372840      0.101184      0.089379
  C      -6.242106     -0.941342      0.963830
  C      -7.252193     -1.934641      0.995452
  C      -7.147686     -3.003304      1.859736
  C      -6.036338     -3.116061      2.727442
  C      -5.036643     -2.164119      2.715537
  C      -5.110050     -1.053962      1.835473
  C      -4.279321      5.778204      5.485649
  C      -3.354487      6.674065      4.612151
  C      -3.305356      6.179377      3.198198
  N      -4.357024      6.486768      2.446712
  C      -4.403015      5.976435      1.191086
  N      -3.481578      5.256731      0.577242
  C      -2.376366      4.948842      1.320079
  C      -1.344183      4.177556      0.731154
  C      -0.229480      3.833537      1.467285
  C      -0.106955      4.228997      2.819847
  C      -1.099414      4.977844      3.419404
  C      -2.245960      5.367978      2.683100
  C      -6.828019      1.514084      5.557774
  C      -7.004113      0.179246      4.796223
  C      -8.166258      0.187215      3.843007
  N      -8.226688      1.228856      3.021478
  C      -9.208993      1.248298      2.089179
  N     -10.143298      0.337003      1.886263
  C     -10.115733     -0.739126      2.728484
  C     -11.083493     -1.762020      2.562846
  C     -11.076950     -2.865534      3.389887
  C     -10.105425     -2.992426      4.411873
  C      -9.151424     -2.013184      4.593626
  C      -9.129763     -0.865577      3.760526
  H      -2.689538      2.075175      2.287546
  H      -1.168858      1.310184      2.760582
  H      -2.899491     -0.731131      3.364792
  H      -2.093370     -0.554539      1.809971
  H      -5.496582      1.845138     -0.569718
  H      -8.104874     -1.816564      0.325575
  H      -7.930484     -3.763176      1.884846
  H      -5.971047     -3.963653      3.411766
  H      -4.187778     -2.267759      3.391491
  H      -5.199862      5.598987      4.913723
  H      -4.554752      6.360129      6.386664
  H      -3.794080      7.681711      4.595580
  H      -2.356173      6.741868      5.064741
  H      -5.319384      6.186365      0.629172
  H      -1.468241      3.856345     -0.303336
  H       0.560885      3.236933      1.007445
  H       0.774004      3.932382      3.391957
  H      -1.004059      5.274749      4.463944
  H      -7.528178      1.554044      6.412949
  H      -7.094893      2.327500      4.873039
  H      -6.092280      0.054560      4.191837
  H      -7.053772     -0.667855      5.491321
  H      -9.203429      2.121723      1.427143
  H     -11.820238     -1.640680      1.767346
  H     -11.827222     -3.647653      3.260162
  H     -10.114989     -3.871827      5.058147
  H      -8.403091     -2.127990      5.378194
  N      -4.867751      3.133796      3.563170
  N      -5.461457      3.499699      2.542246
  H      -5.066701      3.066223      1.685402
89
Coordinates from ORCA-job orca E -6140.648748356462
  N      -2.525073      1.640018      4.311610
  Mo     -4.031328      2.710235      5.076541
  N      -5.464412      1.706912      5.987525
  C      -5.204622      1.169770      7.322792
  C      -3.709170      0.955276      7.519356
  N      -2.943627      2.102343      6.973768
  C      -1.574852      1.727081      6.555166
  C      -1.627541      0.963079      5.237765
  C      -2.962034      3.291143      7.860653
  C      -2.823985      4.567509      7.035018
  N      -3.722480      4.509620      5.886027
  H      -0.602667      0.921143      4.820441
  H      -1.924326     -0.092385      5.415971
  H      -1.019714      2.662585      6.397101
  H      -1.062632      1.148475      7.346258
  H      -3.082982      5.423017      7.686970
  H      -1.765228      4.721990      6.738293
  H      -3.937643      3.303747      8.366037
  H      -2.171207      3.216100      8.629779
  H      -5.708730      0.196049      7.467239
  H      -5.612121      1.847073      8.101824
  H      -3.401652      0.069327      6.946126
  H      -3.457158      0.780950      8.581658
  C      -2.268951      1.317888      2.916178
  C      -2.822489     -0.054565      2.465090
  C      -4.126344      0.000231      1.709060
  N      -4.286459      1.010193      0.860062
  C      -5.403352      1.019009      0.085151
  N      -6.375207      0.131141      0.061521
  C      -6.251524     -0.909380      0.939128
  C      -7.268733     -1.895207      0.974043
  C      -7.173400     -2.960035      1.843969
  C      -6.063111     -3.077793      2.712500
  C      -5.055816     -2.133976      2.696494
  C      -5.121113     -1.026315      1.812596
  C      -4.273551      5.790811      5.483996
  C      -3.335294      6.681725      4.620123
  C      -3.274247      6.186736      3.206655
  N      -4.315779      6.500720      2.443852
  C      -4.350003      5.992970      1.186855
  N      -3.425299      5.269652      0.582217
  C      -2.329834      4.955554      1.336611
  C      -1.292673      4.183984      0.756722
  C      -0.187240      3.834888      1.504437
  C      -0.079411      4.224750      2.859922
  C      -1.076424      4.974685      3.450504
  C      -2.213111      5.370844      2.702153
  C      -6.833093      1.512992      5.527151
  C      -7.007417      0.155774      4.804142
  C      -8.163319      0.141016      3.844036
  N      -8.212607      1.157666      2.990740
  C      -9.195402      1.158617      2.058563
  N     -10.138888      0.251040      1.883349
  C     -10.119730     -0.801410      2.755236
  C     -11.095370     -1.820985      2.617680
  C     -11.095910     -2.902425      3.473444
  C     -10.123729     -3.009663      4.497122
  C      -9.163238     -2.032267      4.652992
  C      -9.134431     -0.906777      3.790235
  H      -2.698236      2.094097      2.273840
  H      -1.176924      1.329649      2.746284
  H      -2.899664     -0.720472      3.333433
  H      -2.098330     -0.527042      1.777655
  H      -5.490035      1.870252     -0.598663
  H      -8.120366     -1.773505      0.303477
  H      -7.962440     -3.713396      1.872633
  H      -6.004957     -3.922622      3.400875
  H      -4.208287     -2.240966      3.373642
  H      -5.190333      5.618775      4.903891
  H      -4.552223      6.372874      6.383962
  H      -3.769298      7.691693      4.599820
  H      -2.340983      6.743609      5.082295
  H      -5.257707      6.210217      0.613893
  H      -1.404161      3.866977     -0.280536
  H       0.607159      3.238515      1.051235
  H       0.794117      3.923683      3.441071
  H      -0.992495      5.268410      4.496916
  H      -7.542492      1.582913      6.373097
  H      -7.087859      2.306425      4.815131
  H      -6.091032      0.011316      4.211296
  H      -7.066098     -0.669783      5.523945
  H      -9.182749      2.012014      1.371223
  H     -11.831873     -1.715349      1.819696
  H     -11.852209     -3.682090      3.365508
  H     -10.138412     -3.872066      5.165823
  H      -8.414862     -2.131944      5.439570
  N      -4.874552      3.155879      3.553018
  N      -5.473979      3.527037      2.537221
  H      -5.095906      3.084245      1.677770
89
Coordinates from ORCA-job orca E -6140.649135143855
  N      -2.537386      1.650728      4.294585
  Mo     -4.040187      2.721806      5.064146
  N      -5.473008      1.712938      5.968726
  C      -5.212738      1.163110      7.298889
  C      -3.716825      0.950350      7.494894
  N      -2.953404      2.102796      6.957765
  C      -1.583695      1.733979      6.537016
  C      -1.634155      0.975397      5.216264
  C      -2.975237      3.284889      7.853241
  C      -2.836664      4.567442      7.037375
  N      -3.729713      4.516308      5.883855
  H      -0.609754      0.941504      4.797067
  H      -1.924196     -0.082669      5.390130
  H      -1.031999      2.672077      6.382108
  H      -1.068820      1.154092      7.325459
  H      -3.100814      5.417468      7.694485
  H      -1.776883      4.726796      6.747027
  H      -3.951849      3.292519      8.356773
  H      -2.185887      3.205307      8.623424
  H      -5.714107      0.186646      7.433081
  H      -5.623212      1.831625      8.083930
  H      -3.407172      0.068875      6.916010
  H      -3.464990      0.769153      8.556077
  C      -2.281337      1.336453      2.897407
  C      -2.827973     -0.036774      2.439900
  C      -4.135598      0.013464      1.690296
  N      -4.302370      1.023108      0.841992
  C      -5.420270      1.025960      0.068718
  N      -6.386811      0.132179      0.045394
  C      -6.257342     -0.906665      0.924011
  C      -7.270876     -1.896021      0.962911
  C      -7.172280     -2.956113      1.838260
  C      -6.060708     -3.067434      2.705921
  C      -5.055581     -2.121551      2.684086
  C      -5.125804     -1.016855      1.796863
  C      -4.271381      5.801625      5.482325
  C      -3.319602      6.688910      4.630286
  C      -3.245480      6.195578      3.216827
  N      -4.274409      6.520900      2.441796
  C      -4.295295      6.020144      1.181846
  N      -3.368742      5.291845      0.586399
  C      -2.285800      4.966088      1.353526
  C      -1.245102      4.192914      0.782316
  C      -0.151163      3.833789      1.542106
  C      -0.059184      4.214572      2.901380
  C      -1.059517      4.966794      3.483348
  C      -2.184070      5.373813      2.722593
  C      -6.838900      1.511956      5.504551
  C      -7.013120      0.141148      4.806586
  C      -8.167196      0.112590      3.844861
  N      -8.212768      1.114141      2.973374
  C      -9.199910      1.105038      2.045663
  N     -10.149579      0.200655      1.889876
  C     -10.132251     -0.837894      2.778187
  C     -11.113926     -1.854024      2.660553
  C     -11.116803     -2.921839      3.533166
  C     -10.140840     -3.018250      4.554262
  C      -9.174658     -2.043523      4.691205
  C      -9.143408     -0.931650      3.810890
  H      -2.714960      2.113511      2.258990
  H      -1.189606      1.354110      2.726497
  H      -2.895056     -0.709465      3.303768
  H      -2.103941     -0.497925      1.744762
  H      -5.512227      1.876327     -0.615459
  H      -8.123992     -1.779317      0.293389
  H      -7.959629     -3.711159      1.871677
  H      -5.999791     -3.908992      3.398025
  H      -4.207003     -2.223479      3.360692
  H      -5.184024      5.636889      4.893643
  H      -4.554148      6.382093      6.382049
  H      -3.747507      7.701395      4.606631
  H      -2.330066      6.744430      5.103374
  H      -5.191187      6.251292      0.596143
  H      -1.343673      3.884233     -0.258786
  H       0.646483      3.236927      1.095317
  H       0.805255      3.905674      3.491925
  H      -0.987484      5.254329      4.532337
  H      -7.553923      1.601025      6.344195
  H      -7.086220      2.291750      4.775176
  H      -6.095017     -0.015734      4.219629
  H      -7.076830     -0.670652      5.541295
  H      -9.186360      1.946372      1.344060
  H     -11.853118     -1.756918      1.863995
  H     -11.877983     -3.698714      3.440964
  H     -10.157100     -3.870047      5.236343
  H      -8.423479     -2.134906      5.476044
  N      -4.884397      3.175972      3.543622
  N      -5.485742      3.553135      2.530746
  H      -5.119402      3.102126      1.670419
89
Coordinates from ORCA-job orca E -6140.649462366157
  N      -2.550366      1.658908      4.278424
  Mo     -4.048989      2.731628      5.052200
  N      -5.482685      1.719178      5.951071
  C      -5.222506      1.160239      7.277601
  C      -3.726533      0.946617      7.473070
  N      -2.963383      2.102343      6.942803
  C      -1.593419      1.737200      6.519999
  C      -1.642795      0.983787      5.196022
  C      -2.986631      3.278758      7.845607
  C      -2.847069      4.566339      7.037898
  N      -3.735748      4.521586      5.880788
  H      -0.618880      0.956032      4.775232
  H      -1.927983     -0.076279      5.365585
  H      -1.043346      2.676773      6.368178
  H      -1.077090      1.155344      7.306034
  H      -3.114582      5.412175      7.699102
  H      -1.786441      4.728754      6.752556
  H      -3.963746      3.282870      8.348153
  H      -2.198274      3.194539      8.616290
  H      -5.723284      0.182668      7.404638
  H      -5.633969      1.823061      8.066957
  H      -3.416316      0.068210      6.889887
  H      -3.475139      0.759826      8.533381
  C      -2.295148      1.352019      2.879492
  C      -2.835603     -0.021397      2.414958
  C      -4.148925      0.024637      1.675112
  N      -4.326212      1.035986      0.830851
  C      -5.447224      1.033484      0.062279
  N      -6.406469      0.131856      0.038394
  C      -6.267191     -0.907742      0.914462
  C      -7.274638     -1.903020      0.956012
  C      -7.169086     -2.960540      1.833623
  C      -6.054711     -3.065431      2.698398
  C      -5.053918     -2.115143      2.671828
  C      -5.132716     -1.011347      1.784211
  C      -4.268482      5.810531      5.479634
  C      -3.304107      6.694792      4.639333
  C      -3.216235      6.203814      3.225760
  N      -4.232950      6.538691      2.438729
  C      -4.238888      6.045828      1.175625
  N      -3.309217      5.314369      0.589246
  C      -2.238438      4.978730      1.368889
  C      -1.192327      4.206593      0.806167
  C      -0.109294      3.839781      1.577796
  C      -0.034336      4.211277      2.940697
  C      -1.039787      4.963078      3.514211
  C      -2.152974      5.378555      2.741413
  C      -6.846407      1.514030      5.483792
  C      -7.021524      0.133021      4.806200
  C      -8.175940      0.092045      3.845574
  N      -8.222225      1.080530      2.959076
  C      -9.213845      1.059732      2.036062
  N     -10.165502      0.155019      1.896961
  C     -10.145761     -0.871633      2.798895
  C     -11.128964     -1.888054      2.698541
  C     -11.130106     -2.943720      3.585822
  C     -10.150833     -3.026913      4.604743
  C      -9.182940     -2.051589      4.724856
  C      -9.153271     -0.951973      3.829109
  H      -2.732995      2.130260      2.245305
  H      -1.203830      1.375117      2.707116
  H      -2.890328     -0.702153      3.273300
  H      -2.113318     -0.470171      1.710042
  H      -5.548170      1.885426     -0.618591
  H      -8.130506     -1.791333      0.289211
  H      -7.953256     -3.718703      1.871027
  H      -5.988159     -3.905469      3.391799
  H      -4.202962     -2.212067      3.346162
  H      -5.176987      5.652406      4.882833
  H      -4.555780      6.389409      6.378983
  H      -3.726958      7.709320      4.612485
  H      -2.319503      6.745289      5.123152
  H      -5.123224      6.289196      0.577624
  H      -1.276979      3.906801     -0.238844
  H       0.693163      3.244664      1.137372
  H       0.821684      3.896588      3.540369
  H      -0.980483      5.244120      4.565708
  H      -7.565623      1.618047      6.318363
  H      -7.087540      2.283186      4.741192
  H      -6.103237     -0.034102      4.222298
  H      -7.087840     -0.667729      5.552496
  H      -9.203377      1.890743      1.322560
  H     -11.870749     -1.801162      1.903247
  H     -11.892358     -3.721046      3.507151
  H     -10.165482     -3.869114      5.298626
  H      -8.428947     -2.133030      5.507994
  N      -4.892497      3.194433      3.534139
  N      -5.492800      3.578545      2.522635
  H      -5.140467      3.114563      1.663492
89
Coordinates from ORCA-job orca E -6140.649746927272
  N      -2.562685      1.669383      4.258253
  Mo     -4.058764      2.739870      5.038162
  N      -5.491509      1.721544      5.932086
  C      -5.229780      1.154822      7.255116
  C      -3.733521      0.940922      7.448331
  N      -2.972087      2.100745      6.924586
  C      -1.601831      1.740567      6.498780
  C      -1.650370      0.993793      5.170885
  C      -2.997297      3.271112      7.835073
  C      -2.858513      4.563977      7.035880
  N      -3.743883      4.525286      5.875932
  H      -0.627078      0.972761      4.748202
  H      -1.930549     -0.068428      5.335148
  H      -1.053851      2.682023      6.351077
  H      -1.083505      1.155987      7.281478
  H      -3.129266      5.405317      7.701521
  H      -1.797439      4.730092      6.754493
  H      -3.974688      3.270647      8.337072
  H      -2.209568      3.182579      8.605903
  H      -5.729734      0.176241      7.376571
  H      -5.641168      1.812454      8.048881
  H      -3.422820      0.066024      6.860167
  H      -3.481414      0.748376      8.507453
  C      -2.308626      1.370872      2.857292
  C      -2.841254     -0.003779      2.387284
  C      -4.163114      0.033256      1.662365
  N      -4.357753      1.043980      0.821137
  C      -5.484821      1.030576      0.061515
  N      -6.433501      0.117578      0.042342
  C      -6.277306     -0.920641      0.917179
  C      -7.274557     -1.925740      0.966954
  C      -7.154043     -2.979243      1.847609
  C      -6.033090     -3.071861      2.705168
  C      -5.040982     -2.112859      2.668887
  C      -5.136234     -1.011785      1.779494
  C      -4.267598      5.818119      5.475848
  C      -3.289866      6.700717      4.649937
  C      -3.185854      6.214487      3.235758
  N      -4.188732      6.560569      2.435901
  C      -4.178319      6.076764      1.169379
  N      -3.245538      5.341845      0.592699
  C      -2.188590      4.994612      1.385833
  C      -1.137954      4.221731      0.832720
  C      -0.067409      3.845267      1.617004
  C      -0.010350      4.207438      2.983328
  C      -1.020408      4.960098      3.547442
  C      -2.120820      5.385551      2.761881
  C      -6.854446      1.514708      5.464023
  C      -7.032694      0.127790      4.799906
  C      -8.191458      0.079188      3.845008
  N      -8.242932      1.060289      2.950548
  C      -9.240570      1.031746      2.034008
  N     -10.192109      0.125520      1.907114
  C     -10.166404     -0.894498      2.816328
  C     -11.149393     -1.912102      2.728643
  C     -11.145996     -2.960358      3.624557
  C     -10.162268     -3.034338      4.639731
  C      -9.193850     -2.057913      4.747089
  C      -9.168417     -0.965853      3.841894
  H      -2.752226      2.149715      2.227680
  H      -1.217927      1.401002      2.682310
  H      -2.878295     -0.692593      3.240099
  H      -2.122365     -0.438191      1.670026
  H      -5.600734      1.882588     -0.616838
  H      -8.136188     -1.823565      0.306095
  H      -7.931690     -3.743748      1.893183
  H      -5.954589     -3.909164      3.400623
  H      -4.184694     -2.200305      3.337755
  H      -5.171052      5.667059      4.869665
  H      -4.560921      6.394283      6.375060
  H      -3.707764      7.717248      4.620551
  H      -2.311135      6.745891      5.146093
  H      -5.049739      6.333873      0.558462
  H      -1.208525      3.930941     -0.215901
  H       0.739274      3.250507      1.183871
  H       0.836006      3.885554      3.592849
  H      -0.974483      5.234275      4.601391
  H      -7.575432      1.628957      6.295936
  H      -7.091591      2.276980      4.713085
  H      -6.116815     -0.046114      4.213991
  H      -7.097802     -0.666369      5.553113
  H      -9.236402      1.857054      1.314175
  H     -11.894987     -1.832115      1.936197
  H     -11.908097     -3.738723      3.555868
  H     -10.173349     -3.870503      5.340931
  H      -8.436093     -2.132529      5.527157
  N      -4.902501      3.210847      3.523020
  N      -5.500222      3.602048      2.512127
  H      -5.155957      3.129761      1.654048
89
Coordinates from ORCA-job orca E -6140.650016758482
  N      -2.575806      1.679642      4.236638
  Mo     -4.069215      2.747603      5.023080
  N      -5.501844      1.724106      5.911509
  C      -5.239035      1.150406      7.231413
  C      -3.742680      0.934986      7.422427
  N      -2.981870      2.098111      6.905286
  C      -1.611608      1.741757      6.476456
  C      -1.659657      1.002288      5.144216
  C      -3.008198      3.262655      7.823195
  C      -2.869867      4.560698      7.032479
  N      -3.752238      4.528333      5.870098
  H      -0.636884      0.987275      4.720030
  H      -1.935770     -0.061883      5.302516
  H      -1.064829      2.684638      6.333560
  H      -1.091935      1.153641      7.255603
  H      -3.143402      5.397627      7.702592
  H      -1.808365      4.730153      6.754798
  H      -3.985730      3.258071      8.324850
  H      -2.220969      3.169558      8.593973
  H      -5.739065      0.171372      7.348029
  H      -5.649709      1.803778      8.029080
  H      -3.432127      0.063369      6.829351
  H      -3.490162      0.736555      8.480377
  C      -2.323003      1.390754      2.833394
  C      -2.846747      0.015479      2.355613
  C      -4.178826      0.044126      1.649275
  N      -4.393417      1.056037      0.814315
  C      -5.528613      1.033632      0.067098
  N      -6.466809      0.109758      0.053476
  C      -6.291213     -0.928875      0.924054
  C      -7.278386     -1.943282      0.982835
  C      -7.140118     -2.995235      1.862747
  C      -6.009782     -3.078369      2.708854
  C      -5.026450     -2.110779      2.662452
  C      -5.140808     -1.010163      1.774771
  C      -4.266479      5.824868      5.470628
  C      -3.275913      6.705792      4.658824
  C      -3.154098      6.222631      3.244961
  N      -4.143517      6.575950      2.431594
  C      -4.115080      6.098623      1.162931
  N      -3.177274      5.361398      0.597642
  C      -2.133539      5.006895      1.404884
  C      -1.076275      4.234761      0.863380
  C      -0.017924      3.852719      1.661362
  C       0.019830      4.208617      3.030016
  C      -0.996727      4.960890      3.582716
  C      -2.085052      5.391854      2.783402
  C      -6.864534      1.517823      5.443359
  C      -7.046748      0.125645      4.792226
  C      -8.210470      0.068408      3.844075
  N      -8.268937      1.041291      2.941039
  C      -9.271633      1.001462      2.030185
  N     -10.220674      0.091213      1.915738
  C     -10.187599     -0.920772      2.833717
  C     -11.167792     -1.942066      2.759534
  C     -11.157781     -2.981656      3.665485
  C     -10.170041     -3.042633      4.677431
  C      -9.203737     -2.062671      4.771226
  C      -9.184802     -0.979418      3.855283
  H      -2.773001      2.170518      2.209295
  H      -1.232999      1.428925      2.655981
  H      -2.862730     -0.683678      3.200606
  H      -2.132888     -0.401531      1.623183
  H      -5.661379      1.887209     -0.606121
  H      -8.147751     -1.848581      0.331069
  H      -7.911202     -3.765798      1.916727
  H      -5.917114     -3.914948      3.403422
  H      -4.162779     -2.190773      3.322718
  H      -5.164651      5.680297      4.855132
  H      -4.566164      6.398824      6.369237
  H      -3.690312      7.723652      4.625697
  H      -2.303493      6.747734      5.167551
  H      -4.974639      6.364612      0.539214
  H      -1.131347      3.950538     -0.188036
  H       0.794462      3.259284      1.237173
  H       0.856968      3.882894      3.650150
  H      -0.965215      5.230752      4.638253
  H      -7.586491      1.641725      6.273242
  H      -7.097901      2.274193      4.685302
  H      -6.133976     -0.055048      4.203371
  H      -7.109587     -0.662065      5.552207
  H      -9.274840      1.820048      1.302900
  H     -11.916797     -1.871951      1.969392
  H     -11.917548     -3.763182      3.607378
  H     -10.175848     -3.871734      5.387010
  H      -8.442549     -2.127507      5.548742
  N      -4.912289      3.227446      3.510682
  N      -5.506685      3.626473      2.500306
  H      -5.172193      3.144713      1.643612
89
Coordinates from ORCA-job orca E -6140.650272534035
  N      -2.588590      1.691879      4.211354
  Mo     -4.080559      2.754365      5.005895
  N      -5.511586      1.723564      5.888805
  C      -5.246295      1.142163      7.204917
  C      -3.749545      0.926418      7.392460
  N      -2.990899      2.094189      6.882671
  C      -1.620383      1.743655      6.450108
  C      -1.667715      1.012840      5.112950
  C      -3.019250      3.252046      7.808901
  C      -2.882657      4.555888      7.027677
  N      -3.762528      4.530030      5.863215
  H      -0.645626      1.005193      4.686908
  H      -1.938801     -0.053594      5.264436
  H      -1.075845      2.688654      6.312879
  H      -1.098518      1.151677      7.224860
  H      -3.159336      5.387639      7.702984
  H      -1.820993      4.729641      6.753392
  H      -3.996855      3.242115      8.310305
  H      -2.232335      3.154459      8.579429
  H      -5.745565      0.162227      7.316451
  H      -5.656103      1.790339      8.007293
  H      -3.438707      0.059105      6.793258
  H      -3.495743      0.721165      8.448819
  C      -2.336981      1.413835      2.805684
  C      -2.849060      0.036699      2.321265
  C      -4.193033      0.052128      1.637589
  N      -4.432783      1.062780      0.807962
  C      -5.577961      1.026487      0.076570
  N      -6.503042      0.089296      0.073153
  C      -6.302547     -0.947402      0.940649
  C      -7.276219     -1.973874      1.013240
  C      -7.113908     -3.022525      1.893127
  C      -5.971444     -3.091215      2.724075
  C      -5.000477     -2.111983      2.663204
  C      -5.140181     -1.013849      1.776107
  C      -4.267188      5.830581      5.465250
  C      -3.263411      6.710840      4.669587
  C      -3.122335      6.232266      3.255940
  N      -4.097503      6.593543      2.428989
  C      -4.050593      6.123128      1.158316
  N      -3.107770      5.383774      0.604517
  C      -2.077928      5.021447      1.425963
  C      -1.014585      4.249367      0.896423
  C       0.030832      3.860771      1.708157
  C       0.049029      4.210234      3.078894
  C      -0.973630      4.962671      3.619897
  C      -2.049240      5.399868      2.806814
  C      -6.874956      1.519361      5.422213
  C      -7.063003      0.124261      4.780018
  C      -8.234055      0.062263      3.841392
  N      -8.301250      1.030704      2.934205
  C      -9.310390      0.983657      2.030629
  N     -10.257256      0.070211      1.926498
  C     -10.215674     -0.937151      2.849233
  C     -11.193948     -1.960891      2.786495
  C     -11.176641     -2.994986      3.698557
  C     -10.183247     -3.047579      4.705266
  C      -9.218022     -2.065423      4.787358
  C      -9.206284     -0.987734      3.864692
  H      -2.795451      2.193437      2.187402
  H      -1.247949      1.462530      2.625093
  H      -2.839102     -0.672445      3.157981
  H      -2.141571     -0.360510      1.571837
  H      -5.731910      1.879582     -0.592683
  H      -8.155527     -1.890415      0.373375
  H      -7.875441     -3.801685      1.958934
  H      -5.859563     -3.925718      3.418312
  H      -4.127245     -2.180764      3.312089
  H      -5.159377      5.693049      4.839572
  H      -4.574064      6.401390      6.363527
  H      -3.674477      7.729965      4.633335
  H      -2.298019      6.749287      5.191859
  H      -4.897512      6.398814      0.521739
  H      -1.054255      3.971725     -0.157465
  H       0.848472      3.268012      1.293215
  H       0.876395      3.880056      3.709712
  H      -0.956640      5.228005      4.676875
  H      -7.596341      1.650720      6.251617
  H      -7.105738      2.272036      4.659710
  H      -6.154955     -0.061577      4.185254
  H      -7.121724     -0.659567      5.544184
  H      -9.321911      1.798484      1.299429
  H     -11.947735     -1.897002      2.000391
  H     -11.934962     -3.778479      3.649501
  H     -10.183374     -3.872085      5.420197
  H      -8.452247     -2.123952      5.560780
  N      -4.923664      3.243293      3.496679
  N      -5.514189      3.650343      2.486718
  H      -5.183679      3.164742      1.630408
89
Coordinates from ORCA-job orca E -6140.650518144395
  N      -2.600352      1.703229      4.186230
  Mo     -4.091363      2.759968      4.988098
  N      -5.522074      1.722257      5.863700
  C      -5.255806      1.132863      7.176123
  C      -3.758925      0.916063      7.361446
  N      -3.001363      2.088163      6.860086
  C      -1.630431      1.742850      6.424900
  C      -1.676219      1.021419      5.082491
  C      -3.031799      3.239186      7.794710
  C      -2.895309      4.548773      7.023285
  N      -3.771746      4.530198      5.856109
  H      -0.654402      1.020784      4.655723
  H      -1.943098     -0.047117      5.226266
  H      -1.087448      2.689650      6.294294
  H      -1.107442      1.146358      7.195419
  H      -3.175033      5.375437      7.703619
  H      -1.833171      4.725992      6.753284
  H      -4.009913      3.224495      8.294966
  H      -2.245941      3.136536      8.565647
  H      -5.754903      0.152281      7.282030
  H      -5.665147      1.775902      7.982880
  H      -3.447683      0.053204      6.756056
  H      -3.504907      0.703466      8.416316
  C      -2.348557      1.436724      2.778322
  C      -2.848126      0.058061      2.286130
  C      -4.204167      0.059763      1.626727
  N      -4.469946      1.068991      0.803362
  C      -5.625944      1.019209      0.089931
  N      -6.538077      0.069432      0.098179
  C      -6.311725     -0.965170      0.961765
  C      -7.271934     -2.003014      1.049529
  C      -7.084344     -3.048559      1.928195
  C      -5.928798     -3.103297      2.741899
  C      -4.970329     -2.112832      2.665488
  C      -5.136329     -1.017383      1.779670
  C      -4.266842      5.834818      5.460073
  C      -3.250685      6.715276      4.680974
  C      -3.090988      6.242340      3.267422
  N      -4.053001      6.610926      2.428388
  C      -3.988684      6.147814      1.155814
  N      -3.040908      5.407431      0.612176
  C      -2.023918      5.037871      1.446327
  C      -0.955130      4.265990      0.927587
  C       0.078254      3.871058      1.751568
  C       0.078522      4.214271      3.124004
  C      -0.949658      4.966612      3.654498
  C      -2.013628      5.409576      2.829246
  C      -6.885931      1.521647      5.397604
  C      -7.080260      0.123722      4.764555
  C      -8.258946      0.056793      3.836078
  N      -8.334973      1.020056      2.924093
  C      -9.350617      0.965067      2.028083
  N     -10.295602      0.048637      1.935560
  C     -10.245607     -0.953031      2.864139
  C     -11.222408     -1.978799      2.814634
  C     -11.197509     -3.006484      3.733758
  C     -10.197758     -3.050171      4.734406
  C      -9.233402     -2.066090      4.803210
  C      -9.229247     -0.994891      3.872935
  H      -2.815205      2.216115      2.165773
  H      -1.260438      1.496366      2.595746
  H      -2.810640     -0.661410      3.113174
  H      -2.148056     -0.317879      1.518959
  H      -5.801810      1.871592     -0.574730
  H      -8.161912     -1.930410      0.423215
  H      -7.835999     -3.836127      2.006465
  H      -5.796765     -3.935856      3.434917
  H      -4.086794     -2.170734      3.301389
  H      -5.152909      5.704398      4.824294
  H      -4.581010      6.402081      6.358162
  H      -3.659063      7.735420      4.642627
  H      -2.292255      6.750494      5.216202
  H      -4.823952      6.432305      0.507901
  H      -0.980829      3.994439     -0.128316
  H       0.900534      3.278924      1.345011
  H       0.896862      3.879893      3.764303
  H      -0.946005      5.227378      4.712687
  H      -7.607190      1.661025      6.225990
  H      -7.113118      2.270844      4.630624
  H      -6.177307     -0.067615      4.163563
  H      -7.134559     -0.656032      5.533079
  H      -9.370365      1.775398      1.292260
  H     -11.981425     -1.921620      2.033077
  H     -11.954636     -3.791674      3.695068
  H     -10.191956     -3.869361      5.455382
  H      -8.462624     -2.117799      5.572069
  N      -4.932818      3.258923      3.481387
  N      -5.518808      3.674136      2.471575
  H      -5.192148      3.184953      1.615609
89
Coordinates from ORCA-job orca E -6140.650750827290
  N      -2.611580      1.713071      4.161758
  Mo     -4.101752      2.764903      4.969835
  N      -5.533050      1.720892      5.837464
  C      -5.267051      1.123873      7.146523
  C      -3.770296      0.905383      7.330677
  N      -3.012883      2.081148      6.837759
  C      -1.641559      1.739865      6.400902
  C      -1.685654      1.027660      5.053520
  C      -3.044962      3.225581      7.780341
  C      -2.907125      4.540469      7.018445
  N      -3.779685      4.529429      5.848288
  H      -0.663821      1.032921      4.626821
  H      -1.949629     -0.042578      5.189599
  H      -1.099238      2.687919      6.277047
  H      -1.118461      1.138547      7.167584
  H      -3.189501      5.362451      7.703385
  H      -1.844298      4.720058      6.753035
  H      -4.023860      3.207136      8.278915
  H      -2.260602      3.117495      8.552057
  H      -5.766515      0.142956      7.246838
  H      -5.676176      1.762261      7.957088
  H      -3.458778      0.046664      6.719562
  H      -3.516802      0.685647      8.384219
  C      -2.357925      1.457863      2.752013
  C      -2.845472      0.078293      2.251523
  C      -4.212784      0.066715      1.616088
  N      -4.503120      1.073873      0.798602
  C      -5.669551      1.011389      0.103349
  N      -6.569635      0.050390      0.123742
  C      -6.318923     -0.981370      0.983922
  C      -7.266688     -2.029088      1.087384
  C      -7.055306     -3.070830      1.965298
  C      -5.887538     -3.112004      2.762169
  C      -4.940588     -2.111768      2.669735
  C      -5.131069     -1.020063      1.784280
  C      -4.265846      5.838032      5.454760
  C      -3.238155      6.719147      4.692217
  C      -3.060423      6.252206      3.278809
  N      -4.009745      6.627898      2.428533
  C      -3.928198      6.172864      1.154031
  N      -2.975124      5.432657      0.619678
  C      -1.970726      5.055837      1.465773
  C      -0.896445      4.284983      0.957025
  C       0.125243      3.883659      1.792409
  C       0.107954      4.219950      3.166458
  C      -0.925741      4.971517      3.687205
  C      -1.978532      5.420082      2.850694
  C      -6.897094      1.524026      5.370895
  C      -7.097404      0.123490      4.746772
  C      -8.284703      0.051411      3.829980
  N      -8.371065      1.009939      2.913954
  C      -9.394063      0.947128      2.026691
  N     -10.336975      0.027553      1.946547
  C     -10.277115     -0.968772      2.880375
  C     -11.252032     -1.996833      2.844838
  C     -11.217529     -3.018892      3.769940
  C     -10.209864     -3.054185      4.762786
  C      -9.246976     -2.067746      4.817768
  C      -9.252488     -1.002239      3.881000
  H      -2.831344      2.237252      2.144512
  H      -1.270452      1.527459      2.569177
  H      -2.781022     -0.650980      3.068217
  H      -2.153374     -0.276493      1.467200
  H      -5.866172      1.862417     -0.557134
  H      -8.166743     -1.966931      0.474437
  H      -7.797590     -3.865915      2.056158
  H      -5.736614     -3.941941      3.454468
  H      -4.047392     -2.159071      3.292910
  H      -5.145755      5.714658      4.809157
  H      -4.587130      6.401463      6.352831
  H      -3.644382      7.740111      4.652287
  H      -2.286650      6.751457      5.239926
  H      -4.752159      6.465876      0.495573
  H      -0.908518      4.020134     -0.100844
  H       0.952119      3.292631      1.393670
  H       0.917605      3.881466      3.815577
  H      -0.935029      5.227333      4.746529
  H      -7.618795      1.671440      6.197712
  H      -7.120137      2.269739      4.599334
  H      -6.200247     -0.072459      4.138367
  H      -7.145603     -0.652513      5.519373
  H      -9.423002      1.753264      1.286712
  H     -12.017423     -1.946047      2.069090
  H     -11.973015     -3.806080      3.742004
  H     -10.196527     -3.868740      5.488888
  H      -8.470114     -2.112963      5.580842
  N      -4.941311      3.273817      3.465471
  N      -5.523501      3.696318      2.456045
  H      -5.199676      3.204920      1.600077
89
Coordinates from ORCA-job orca E -6140.650971772799
  N      -2.623349      1.721960      4.138947
  Mo     -4.112501      2.770111      4.952119
  N      -5.545778      1.721411      5.811543
  C      -5.281577      1.117740      7.117931
  C      -3.785281      0.896403      7.302158
  N      -3.026565      2.074522      6.816967
  C      -1.655018      1.735222      6.379384
  C      -1.697483      1.031787      5.027319
  C      -3.059362      3.213171      7.766478
  C      -2.917915      4.532449      7.013052
  N      -3.785973      4.529078      5.839498
  H      -0.675288      1.041287      4.601576
  H      -1.960347     -0.039625      5.155862
  H      -1.111988      2.683691      6.262253
  H      -1.133155      1.128695      7.142803
  H      -3.202146      5.350755      7.701653
  H      -1.854032      4.712501      6.752581
  H      -4.039394      3.192752      8.262738
  H      -2.277121      3.099282      8.539516
  H      -5.782311      0.137032      7.213175
  H      -5.690579      1.752532      7.931385
  H      -3.473905      0.040976      6.686368
  H      -3.533176      0.670324      8.354701
  C      -2.366282      1.478157      2.727666
  C      -2.843298      0.099182      2.216817
  C      -4.220547      0.076933      1.603590
  N      -4.532162      1.083027      0.792792
  C      -5.708241      1.011179      0.114935
  N      -6.598395      0.041334      0.145767
  C      -6.326640     -0.988591      1.001629
  C      -7.264422     -2.043695      1.118924
  C      -7.032852     -3.082567      1.995246
  C      -5.854238     -3.113464      2.776439
  C      -4.916272     -2.106099      2.669587
  C      -5.127433     -1.017301      1.785281
  C      -4.262972      5.841572      5.447876
  C      -3.224131      6.722597      4.700944
  C      -3.028426      6.259865      3.288474
  N      -3.965684      6.640432      2.427026
  C      -3.867013      6.191645      1.151484
  N      -2.908126      5.451899      0.627085
  C      -1.915846      5.069851      1.485123
  C      -0.836018      4.299735      0.987242
  C       0.174372      3.893803      1.834059
  C       0.139940      4.225512      3.208915
  C      -0.899379      4.976604      3.719061
  C      -1.941525      5.428742      2.871234
  C      -6.909510      1.528131      5.343071
  C      -7.114701      0.124405      4.729206
  C      -8.311213      0.044661      3.825406
  N      -8.410828      0.997868      2.905172
  C      -9.441855      0.924712      2.027825
  N     -10.380794      0.000006      1.961525
  C     -10.307877     -0.990463      2.900780
  C     -11.278102     -2.023373      2.880357
  C     -11.229790     -3.040011      3.810904
  C     -10.212878     -3.064434      4.794449
  C      -9.254449     -2.072910      4.834713
  C      -9.273905     -1.012950      3.891908
  H      -2.844438      2.258547      2.124985
  H      -1.279064      1.555988      2.546578
  H      -2.754132     -0.640279      3.021886
  H      -2.159268     -0.234415      1.416251
  H      -5.922956      1.861646     -0.540543
  H      -8.173463     -1.989403      0.518551
  H      -7.767613     -3.883259      2.097257
  H      -5.687372     -3.941368      3.467509
  H      -4.014466     -2.145329      3.280790
  H      -5.136748      5.725058      4.792809
  H      -4.590973      6.401869      6.345569
  H      -3.628635      7.744163      4.658247
  H      -2.279707      6.753112      5.260976
  H      -4.680323      6.491062      0.482751
  H      -0.834917      4.039786     -0.071926
  H       1.005800      3.303492      1.443848
  H       0.941272      3.884460      3.866950
  H      -0.921203      5.229367      4.778904
  H      -7.632676      1.684311      6.167225
  H      -7.127497      2.269520      4.565942
  H      -6.223805     -0.075468      4.112704
  H      -7.154698     -0.647262      5.506512
  H      -9.482256      1.726142      1.283366
  H     -12.050866     -1.980954      2.111447
  H     -11.981195     -3.831426      3.794326
  H     -10.188630     -3.874588      5.525178
  H      -8.470497     -2.109735      5.590936
  N      -4.949849      3.288436      3.449816
  N      -5.529331      3.716815      2.440963
  H      -5.209627      3.222151      1.585147
89
Coordinates from ORCA-job orca E -6140.651180767019
  N      -2.635301      1.729715      4.118058
  Mo     -4.123459      2.775160      4.935285
  N      -5.559593      1.723142      5.786889
  C      -5.298218      1.114248      7.091425
  C      -3.802598      0.889203      7.276560
  N      -3.041498      2.068457      6.797898
  C      -1.669892      1.729378      6.360298
  C      -1.710982      1.034003      5.004008
  C      -3.074094      3.202303      7.753113
  C      -2.927408      4.524970      7.006845
  N      -3.790828      4.528872      5.829850
  H      -0.688198      1.046080      4.579782
  H      -1.974386     -0.038049      5.125577
  H      -1.125052      2.677544      6.249617
  H      -1.150305      1.117480      7.120977
  H      -3.212676      5.340647      7.698143
  H      -1.862264      4.703862      6.751155
  H      -4.055462      3.181542      8.246729
  H      -2.294349      3.082565      8.527801
  H      -5.800950      0.134250      7.182597
  H      -5.706982      1.746710      7.906812
  H      -3.491828      0.036112      6.657228
  H      -3.552372      0.657859      8.328410
  C      -2.373581      1.496923      2.705634
  C      -2.841569      0.119597      2.183527
  C      -4.227313      0.088822      1.590239
  N      -4.556824      1.094209      0.785783
  C      -5.741543      1.015476      0.123964
  N      -6.623931      0.039006      0.164241
  C      -6.334439     -0.989551      1.015810
  C      -7.264542     -2.049841      1.145668
  C      -7.016108     -3.086403      2.020183
  C      -5.827725     -3.109835      2.786651
  C      -4.896535     -2.097567      2.666638
  C      -5.125009     -1.011015      1.783892
  C      -4.258975      5.844946      5.439555
  C      -3.209652      6.725314      4.707088
  C      -2.996354      6.265498      3.296110
  N      -3.921852      6.649652      2.423580
  C      -3.805814      6.206464      1.147483
  N      -2.840538      5.467869      0.633307
  C      -1.860239      5.081657      1.503270
  C      -0.774475      4.312648      1.016750
  C       0.224354      3.902550      1.875199
  C       0.172303      4.230031      3.250538
  C      -0.872833      4.980592      3.749512
  C      -1.904151      5.435722      2.890186
  C      -6.922743      1.533200      5.315566
  C      -7.131983      0.126408      4.711741
  C      -8.338564      0.037748      3.822552
  N      -8.454788      0.986622      2.899764
  C      -9.494663      0.902011      2.033700
  N     -10.427478     -0.029803      1.981219
  C     -10.337987     -1.015443      2.924238
  C     -11.300840     -2.055456      2.918708
  C     -11.234909     -3.067845      3.852909
  C     -10.207515     -3.080386      4.825590
  C      -9.256174     -2.081548      4.851348
  C      -9.293524     -1.025914      3.904311
  H      -2.854659      2.279005      2.107279
  H      -1.286276      1.581283      2.527917
  H      -2.730520     -0.629728      2.976610
  H      -2.165306     -0.193578      1.368234
  H      -5.971615      1.865721     -0.526524
  H      -8.181550     -2.001349      0.556954
  H      -7.745090     -3.890998      2.132367
  H      -5.647522     -3.936095      3.476339
  H      -3.986976     -2.130865      3.266537
  H      -5.126719      5.734733      4.775521
  H      -4.593286      6.402767      6.336542
  H      -3.612790      7.747305      4.660868
  H      -2.272292      6.754890      5.279021
  H      -4.608740      6.511100      0.468643
  H      -0.759865      4.057303     -0.043458
  H       1.060441      3.312977      1.493961
  H       0.965128      3.886836      3.917702
  H      -0.907436      5.230717      4.809631
  H      -7.647945      1.697875      6.136489
  H      -7.135333      2.270168      4.532793
  H      -6.247966     -0.076084      4.086054
  H      -7.161527     -0.641173      5.493464
  H      -9.549144      1.699500      1.285975
  H     -12.082013     -2.022124      2.157887
  H     -11.980182     -3.865212      3.847457
  H     -10.169360     -3.887122      5.559504
  H      -8.464233     -2.109201      5.599600
  N      -4.958535      3.302177      3.434879
  N      -5.536459      3.735030      2.426788
  H      -5.219893      3.238218      1.570922
89
Coordinates from ORCA-job orca E -6140.651531325878
  N      -2.634450      1.730774      4.086155
  Mo     -4.129102      2.767085      4.901214
  N      -5.573025      1.708891      5.734516
  C      -5.321665      1.101539      7.041830
  C      -3.828178      0.870264      7.237433
  N      -3.061550      2.049478      6.767675
  C      -1.687513      1.708564      6.337122
  C      -1.720801      1.023767      4.975315
  C      -3.098285      3.178531      7.728519
  C      -2.942211      4.503997      6.988952
  N      -3.797911      4.514715      5.805871
  H      -0.694737      1.034228      4.559369
  H      -1.991128     -0.047511      5.086532
  H      -1.138206      2.655446      6.238735
  H      -1.176463      1.088225      7.096716
  H      -3.228011      5.318573      7.681164
  H      -1.875300      4.678598      6.739184
  H      -4.083806      3.158374      8.213891
  H      -2.325932      3.052032      8.509442
  H      -5.829480      0.124227      7.132443
  H      -5.732403      1.736703      7.854050
  H      -3.515278      0.017289      6.618984
  H      -3.586657      0.636738      8.290757
  C      -2.366661      1.505328      2.673722
  C      -2.832813      0.133002      2.140291
  C      -4.231339      0.101337      1.578929
  N      -4.583798      1.114620      0.794412
  C      -5.788651      1.044587      0.169396
  N      -6.671806      0.070052      0.229226
  C      -6.357943     -0.966725      1.062000
  C      -7.289053     -2.022557      1.216332
  C      -7.016371     -3.067471      2.073710
  C      -5.801964     -3.104021      2.797216
  C      -4.870318     -2.095145      2.653892
  C      -5.123744     -0.999740      1.789097
  C      -4.266768      5.830932      5.417925
  C      -3.214364      6.719265      4.700785
  C      -2.965912      6.253037      3.297562
  N      -3.892261      6.593378      2.407770
  C      -3.741423      6.140165      1.138587
  N      -2.740922      5.434656      0.645694
  C      -1.759314      5.095056      1.533827
  C      -0.639269      4.360491      1.072030
  C       0.361269      3.996346      1.948970
  C       0.277996      4.339635      3.318729
  C      -0.801378      5.056587      3.793597
  C      -1.837557      5.461650      2.915694
  C      -6.936266      1.530038      5.257570
  C      -7.161286      0.123736      4.662563
  C      -8.395519      0.028430      3.812058
  N      -8.545759      0.974856      2.892051
  C      -9.606728      0.879840      2.053186
  N     -10.532230     -0.060258      2.027008
  C     -10.409851     -1.042501      2.970049
  C     -11.360638     -2.093386      2.989397
  C     -11.256241     -3.107540      3.918158
  C     -10.203784     -3.108843      4.863345
  C      -9.264908     -2.097751      4.866108
  C      -9.340081     -1.041888      3.922127
  H      -2.848582      2.290587      2.079637
  H      -1.279050      1.591805      2.499209
  H      -2.696655     -0.629577      2.916677
  H      -2.171678     -0.158609      1.304735
  H      -6.038492      1.901882     -0.464231
  H      -8.225884     -1.963775      0.660689
  H      -7.746986     -3.867197      2.207107
  H      -5.602687     -3.936594      3.473860
  H      -3.941248     -2.136953      3.222299
  H      -5.126192      5.720103      4.743313
  H      -4.613852      6.383632      6.313257
  H      -3.632504      7.734515      4.638654
  H      -2.289654      6.769256      5.291648
  H      -4.546691      6.405234      0.446173
  H      -0.603166      4.092773      0.015310
  H       1.223201      3.432377      1.587346
  H       1.074108      4.035803      4.000795
  H      -0.859315      5.317955      4.849977
  H      -7.661439      1.704367      6.076796
  H      -7.141085      2.265366      4.471232
  H      -6.298234     -0.080811      4.008386
  H      -7.162427     -0.643002      5.445816
  H      -9.687465      1.675845      1.306242
  H     -12.161956     -2.068912      2.249509
  H     -11.989416     -3.916008      3.928459
  H     -10.135588     -3.916837      5.593638
  H      -8.453571     -2.117316      5.593501
  N      -4.951711      3.301983      3.396959
  N      -5.520878      3.735922      2.383760
  H      -5.176031      3.258950      1.527834
89
Coordinates from ORCA-job orca E -6140.651766621530
  N      -2.652364      1.785694      4.024738
  Mo     -4.151228      2.795345      4.863743
  N      -5.589821      1.717715      5.685261
  C      -5.331928      1.104467      6.988442
  C      -3.837791      0.870477      7.176766
  N      -3.075628      2.056555      6.716772
  C      -1.702065      1.723397      6.275591
  C      -1.738408      1.062598      4.902400
  C      -3.110236      3.172722      7.692865
  C      -2.953653      4.505579      6.967031
  N      -3.815602      4.529774      5.787966
  H      -0.713195      1.078694      4.484944
  H      -2.011352     -0.009481      4.995696
  H      -1.152969      2.671944      6.193675
  H      -1.189679      1.088968      7.022441
  H      -3.229913      5.315900      7.667773
  H      -1.888255      4.675170      6.709573
  H      -4.095286      3.147964      8.179105
  H      -2.337781      3.034595      8.471609
  H      -5.841173      0.127880      7.078438
  H      -5.737259      1.735753      7.806320
  H      -3.526198      0.023230      6.549812
  H      -3.593168      0.628325      8.227294
  C      -2.388164      1.581935      2.607688
  C      -2.827460      0.208890      2.056885
  C      -4.241574      0.143085      1.539465
  N      -4.645997      1.152739      0.775870
  C      -5.871931      1.060686      0.196708
  N      -6.730546      0.066947      0.282877
  C      -6.361601     -0.968656      1.093985
  C      -7.266949     -2.040841      1.282091
  C      -6.939774     -3.086023      2.120131
  C      -5.693554     -3.107182      2.787408
  C      -4.787048     -2.080322      2.612187
  C      -5.098260     -0.982273      1.769848
  C      -4.275366      5.849245      5.402785
  C      -3.208818      6.722789      4.692198
  C      -2.927948      6.215426      3.309673
  N      -3.842912      6.507803      2.391592
  C      -3.663830      6.005528      1.144353
  N      -2.645585      5.294952      0.696782
  C      -1.677057      5.000941      1.615718
  C      -0.547026      4.249841      1.207410
  C       0.436395      3.923202      2.117888
  C       0.326544      4.326307      3.469085
  C      -0.763337      5.060093      3.891665
  C      -1.784263      5.423722      2.978972
  C      -6.957356      1.551033      5.215664
  C      -7.198649      0.152686      4.616399
  C      -8.469016      0.053963      3.820757
  N      -8.670662      1.010944      2.922416
  C      -9.756780      0.908178      2.117749
  N     -10.662684     -0.051144      2.107046
  C     -10.489073     -1.044205      3.030933
  C     -11.410126     -2.121051      3.058487
  C     -11.244725     -3.154005      3.957237
  C     -10.163773     -3.145327      4.869030
  C      -9.255096     -2.106749      4.865879
  C      -9.389790     -1.034627      3.948169
  H      -2.890786      2.365177      2.027495
  H      -1.303165      1.692263      2.428100
  H      -2.640103     -0.568400      2.807642
  H      -2.182894     -0.039394      1.194535
  H      -6.165945      1.916651     -0.419345
  H      -8.228211     -1.993919      0.768497
  H      -7.652702     -3.896119      2.283592
  H      -5.450166     -3.940826      3.448041
  H      -3.833693     -2.108485      3.139461
  H      -5.128919      5.745137      4.719804
  H      -4.625209      6.405285      6.295058
  H      -3.627879      7.735187      4.593909
  H      -2.299308      6.791866      5.304180
  H      -4.462030      6.229714      0.429755
  H      -0.494741      3.937098      0.163634
  H       1.305035      3.344578      1.798330
  H       1.110485      4.055572      4.178500
  H      -0.842284      5.362979      4.935648
  H      -7.674543      1.722790      6.042894
  H      -7.165313      2.292471      4.435959
  H      -6.367425     -0.041227      3.918780
  H      -7.153530     -0.623727      5.389109
  H      -9.876825      1.714038      1.386688
  H     -12.234895     -2.104494      2.344625
  H     -11.949550     -3.987126      3.966878
  H     -10.047977     -3.968086      5.576437
  H      -8.420759     -2.119872      5.566933
  N      -4.981580      3.346851      3.370023
  N      -5.555684      3.784981      2.361031
  H      -5.195534      3.329726      1.499991
89
Coordinates from ORCA-job orca E -6140.652092039552
  N      -2.658949      1.782187      3.995363
  Mo     -4.159712      2.784516      4.840295
  N      -5.599145      1.702159      5.655916
  C      -5.342193      1.085384      6.957155
  C      -3.848596      0.847706      7.143655
  N      -3.085230      2.035574      6.689701
  C      -1.711679      1.703737      6.247152
  C      -1.749247      1.050639      4.870812
  C      -3.119526      3.146213      7.671946
  C      -2.959722      4.481923      6.953083
  N      -3.820483      4.513454      5.773236
  H      -0.723543      1.064021      4.454448
  H      -2.027856     -0.020357      4.958710
  H      -1.161145      2.651927      6.171290
  H      -1.200951      1.063651      6.990195
  H      -3.234118      5.289995      7.657004
  H      -1.894021      4.649426      6.696138
  H      -4.105591      3.120492      8.156039
  H      -2.349020      3.002348      8.451572
  H      -5.854323      0.110006      7.045919
  H      -5.744826      1.716022      7.776944
  H      -3.538325      0.003243      6.512327
  H      -3.604401      0.600184      8.193018
  C      -2.394009      1.579080      2.578343
  C      -2.822754      0.202200      2.029714
  C      -4.240396      0.120947      1.524113
  N      -4.651766      1.110789      0.738730
  C      -5.880389      1.001968      0.168242
  N      -6.736580      0.009172      0.283432
  C      -6.360090     -1.006393      1.116021
  C      -7.262585     -2.074897      1.335752
  C      -6.927844     -3.100245      2.195031
  C      -5.676040     -3.105093      2.852127
  C      -4.772281     -2.081340      2.646847
  C      -5.091681     -1.002404      1.782986
  C      -4.281201      5.836311      5.398475
  C      -3.211775      6.723056      4.708035
  C      -2.906539      6.228579      3.326123
  N      -3.817847      6.508316      2.400988
  C      -3.615840      6.019099      1.152152
  N      -2.577677      5.334423      0.709675
  C      -1.611270      5.055963      1.635938
  C      -0.461269      4.332855      1.233246
  C       0.520767      4.020818      2.150384
  C       0.389971      4.412769      3.502935
  C      -0.719231      5.120895      3.919880
  C      -1.740508      5.466968      3.000805
  C      -6.968344      1.545948      5.188739
  C      -7.219548      0.150770      4.588172
  C      -8.503022      0.055450      3.813794
  N      -8.722723      1.020754      2.928751
  C      -9.824264      0.924826      2.144442
  N     -10.729096     -0.035797      2.141904
  C     -10.537083     -1.036898      3.053429
  C     -11.458559     -2.113068      3.091870
  C     -11.278140     -3.150861      3.982200
  C     -10.180614     -3.148462      4.874188
  C      -9.270949     -2.110769      4.859942
  C      -9.421239     -1.034060      3.950305
  H      -2.900932      2.358059      1.996826
  H      -1.309492      1.695591      2.399960
  H      -2.620195     -0.573914      2.777779
  H      -2.181897     -0.037296      1.162184
  H      -6.179306      1.841376     -0.467901
  H      -8.226803     -2.041831      0.826503
  H      -7.637904     -3.908015      2.381039
  H      -5.425155     -3.924546      3.527618
  H      -3.813873     -2.097505      3.165434
  H      -5.129239      5.737978      4.707966
  H      -4.639312      6.380814      6.294677
  H      -3.638894      7.732463      4.611054
  H      -2.312262      6.797504      5.333585
  H      -4.412504      6.230306      0.431885
  H      -0.394796      4.027915      0.187969
  H       1.404133      3.462320      1.835321
  H       1.173788      4.155774      4.217640
  H      -0.812193      5.416265      4.964905
  H      -7.683463      1.721358      6.017074
  H      -7.172093      2.290258      4.410800
  H      -6.401227     -0.042377      3.875313
  H      -7.159623     -0.628495      5.357339
  H      -9.958229      1.737522      1.423377
  H     -12.297353     -2.090914      2.394666
  H     -11.984321     -3.982716      4.000683
  H     -10.053717     -3.974618      5.575736
  H      -8.425826     -2.127459      5.548137
  N      -4.992065      3.340524      3.349500
  N      -5.568138      3.777223      2.341500
  H      -5.196969      3.332808      1.479269
89
Coordinates from ORCA-job orca E -6140.652224458382
  N      -2.648993      1.783677      3.957475
  Mo     -4.166872      2.762919      4.799308
  N      -5.601164      1.663958      5.604147
  C      -5.346993      1.048196      6.905387
  C      -3.853139      0.819587      7.096198
  N      -3.095515      2.014684      6.650619
  C      -1.717680      1.693531      6.213611
  C      -1.745436      1.046793      4.834538
  C      -3.143072      3.120963      7.637370
  C      -2.989583      4.460172      6.925275
  N      -3.844362      4.490713      5.741106
  H      -0.716769      1.062751      4.425306
  H      -2.024847     -0.024480      4.915309
  H      -1.171999      2.645052      6.145125
  H      -1.207547      1.052073      6.955736
  H      -3.272669      5.264196      7.630257
  H      -1.924014      4.635196      6.673422
  H      -4.131839      3.085832      8.115165
  H      -2.376497      2.979221      8.421276
  H      -5.854663      0.069952      6.992254
  H      -5.755572      1.676697      7.724108
  H      -3.534808     -0.019627      6.461958
  H      -3.611843      0.568903      8.145531
  C      -2.368817      1.594161      2.542249
  C      -2.798665      0.224673      1.978742
  C      -4.224864      0.155087      1.498041
  N      -4.635112      1.142879      0.709750
  C      -5.878011      1.050843      0.168446
  N      -6.752798      0.079013      0.320826
  C      -6.377499     -0.932376      1.159314
  C      -7.297354     -1.977003      1.418737
  C      -6.963590     -2.996397      2.285396
  C      -5.696040     -3.018439      2.911643
  C      -4.775774     -2.018116      2.668218
  C      -5.092040     -0.946697      1.793592
  C      -4.306713      5.815881      5.371813
  C      -3.230262      6.715686      4.708129
  C      -2.885658      6.222944      3.335247
  N      -3.786240      6.479056      2.393701
  C      -3.555860      5.985351      1.151920
  N      -2.500386      5.312409      0.732792
  C      -1.542315      5.061418      1.675655
  C      -0.375033      4.354302      1.296152
  C       0.600513      4.069186      2.229010
  C       0.446142      4.475167      3.574951
  C      -0.679718      5.170773      3.969200
  C      -1.696607      5.485607      3.033897
  C      -6.969419      1.508705      5.135934
  C      -7.221947      0.108321      4.547799
  C      -8.513458      0.004098      3.788759
  N      -8.746005      0.963573      2.900373
  C      -9.863593      0.865946      2.139001
  N     -10.772037     -0.091136      2.161327
  C     -10.566727     -1.085200      3.077363
  C     -11.499227     -2.149866      3.152271
  C     -11.316901     -3.170419      4.061974
  C     -10.202766     -3.164628      4.933738
  C      -9.279885     -2.139827      4.881321
  C      -9.434026     -1.079704      3.952970
  H      -2.868391      2.378681      1.962956
  H      -1.282356      1.710302      2.375293
  H      -2.583700     -0.562875      2.711160
  H      -2.170876      0.001888      1.097703
  H      -6.173265      1.885325     -0.475763
  H      -8.271528     -1.932300      0.929609
  H      -7.684442     -3.787909      2.497691
  H      -5.444491     -3.834586      3.591041
  H      -3.804179     -2.049331      3.161198
  H      -5.143952      5.720737      4.668108
  H      -4.680331      6.348914      6.268773
  H      -3.665825      7.720705      4.600800
  H      -2.348227      6.800723      5.356081
  H      -4.344559      6.178025      0.417758
  H      -0.291590      4.039197      0.255204
  H       1.496917      3.521694      1.931609
  H       1.225996      4.241933      4.302166
  H      -0.786944      5.479797      5.008903
  H      -7.687097      1.694445      5.959777
  H      -7.167711      2.247716      4.351840
  H      -6.411382     -0.091481      3.828066
  H      -7.150884     -0.663444      5.324015
  H     -10.009118      1.674715      1.415783
  H     -12.352728     -2.128837      2.473064
  H     -12.036317     -3.989603      4.113627
  H     -10.075538     -3.976332      5.651956
  H      -8.425703     -2.150915      5.558697
  N      -4.999338      3.307735      3.304542
  N      -5.575363      3.730760      2.291065
  H      -5.197382      3.280579      1.434017
89
Coordinates from ORCA-job orca E -6140.652568738162
  N      -2.670438      1.791504      3.940866
  Mo     -4.184139      2.771664      4.789127
  N      -5.621132      1.677387      5.596667
  C      -5.364622      1.058056      6.895832
  C      -3.871074      0.822515      7.080730
  N      -3.110947      2.016359      6.636195
  C      -1.734733      1.692802      6.195384
  C      -1.766662      1.050140      4.814455
  C      -3.153859      3.120562      7.625497
  C      -2.994923      4.460456      6.915981
  N      -3.848817      4.496477      5.731037
  H      -0.738758      1.065118      4.403433
  H      -2.048475     -0.020612      4.892751
  H      -1.187015      2.643217      6.128425
  H      -1.224607      1.047940      6.934636
  H      -3.274789      5.264772      7.621922
  H      -1.928639      4.630815      6.664762
  H      -4.142663      3.088177      8.103477
  H      -2.387747      2.974086      8.408980
  H      -5.876563      0.082247      6.983405
  H      -5.766972      1.687050      7.717253
  H      -3.558152     -0.015850      6.442651
  H      -3.627129      0.567752      8.128472
  C      -2.386369      1.615577      2.524545
  C      -2.797285      0.247480      1.943164
  C      -4.226595      0.158032      1.476177
  N      -4.661606      1.149365      0.705699
  C      -5.907504      1.042419      0.174206
  N      -6.762144      0.051588      0.318131
  C      -6.361004     -0.964812      1.138291
  C      -7.258727     -2.030653      1.388121
  C      -6.900538     -3.055179      2.238815
  C      -5.628922     -3.061379      2.857119
  C      -4.729094     -2.040679      2.621614
  C      -5.071295     -0.963119      1.764272
  C      -4.301794      5.824414      5.360151
  C      -3.217397      6.718425      4.701955
  C      -2.856846      6.212716      3.337570
  N      -3.752398      6.447782      2.385452
  C      -3.507908      5.939594      1.152062
  N      -2.444149      5.268626      0.751073
  C      -1.491144      5.039644      1.704617
  C      -0.315197      4.336866      1.343919
  C       0.656398      4.074790      2.287554
  C       0.490361      4.502576      3.625322
  C      -0.643690      5.195091      4.000959
  C      -1.658509      5.483308      3.055107
  C      -6.993771      1.534132      5.136475
  C      -7.260819      0.135447      4.552467
  C      -8.566802      0.031175      3.819167
  N      -8.820282      0.993031      2.938948
  C      -9.947291      0.888160      2.192379
  N     -10.844371     -0.079503      2.219686
  C     -10.616158     -1.077097      3.126472
  C     -11.529052     -2.158851      3.198675
  C     -11.318463     -3.186943      4.093702
  C     -10.196823     -3.170531      4.955458
  C      -9.292387     -2.129407      4.904894
  C      -9.473854     -1.062884      3.989097
  H      -2.892732      2.400864      1.951513
  H      -1.300783      1.744675      2.361129
  H      -2.557230     -0.549495      2.657187
  H      -2.175392      0.055814      1.050878
  H      -6.224189      1.880825     -0.454513
  H      -8.236866     -1.997484      0.906109
  H      -7.606586     -3.861247      2.447039
  H      -5.358141     -3.880868      3.524957
  H      -3.754355     -2.059713      3.108836
  H      -5.134917      5.732964      4.651148
  H      -4.678043      6.359446      6.254813
  H      -3.651933      7.722216      4.580865
  H      -2.342830      6.809803      5.359315
  H      -4.291500      6.117299      0.408743
  H      -0.221711      4.007547      0.308157
  H       1.559532      3.530687      2.004827
  H       1.268161      4.289565      4.360829
  H      -0.757813      5.523327      5.033976
  H      -7.705180      1.726733      5.964272
  H      -7.190564      2.273889      4.352785
  H      -6.464964     -0.065132      3.817051
  H      -7.174320     -0.636984      5.326363
  H     -10.112188      1.700590      1.477464
  H     -12.388535     -2.146571      2.526844
  H     -12.019920     -4.021530      4.139994
  H     -10.047318     -3.988634      5.662017
  H      -8.429576     -2.134694      5.571229
  N      -5.018250      3.321253      3.297064
  N      -5.596676      3.744224      2.284496
  H      -5.223769      3.291289      1.426834
89
Coordinates from ORCA-job orca E -6140.652648352918
  N      -2.697291      1.834908      3.883786
  Mo     -4.204080      2.798294      4.761660
  N      -5.636971      1.688219      5.555535
  C      -5.370030      1.040580      6.839307
  C      -3.874744      0.802581      7.008785
  N      -3.119542      2.007389      6.586504
  C      -1.744368      1.698834      6.131629
  C      -1.782144      1.083708      4.737936
  C      -3.161064      3.090415      7.598811
  C      -3.001891      4.444159      6.916184
  N      -3.855503      4.504132      5.731669
  H      -0.757494      1.111425      4.319962
  H      -2.058055      0.010370      4.798546
  H      -1.201217      2.652815      6.080648
  H      -1.226960      1.041493      6.854820
  H      -3.281385      5.234888      7.637585
  H      -1.935515      4.618258      6.668861
  H      -4.148907      3.047935      8.078079
  H      -2.393431      2.927740      8.377564
  H      -5.880019      0.062702      6.909515
  H      -5.767374      1.650767      7.677153
  H      -3.565084     -0.020300      6.349253
  H      -3.623208      0.524027      8.048660
  C      -2.429729      1.676263      2.462165
  C      -2.811396      0.299209      1.880739
  C      -4.251425      0.159223      1.461214
  N      -4.732319      1.111042      0.667881
  C      -5.985848      0.950144      0.168716
  N      -6.807152     -0.059670      0.364170
  C      -6.359758     -1.033925      1.210849
  C      -7.221038     -2.114684      1.517905
  C      -6.816944     -3.096071      2.398390
  C      -5.533779     -3.043320      2.990111
  C      -4.668083     -2.007835      2.697559
  C      -5.058033     -0.973099      1.808501
  C      -4.288526      5.841353      5.372590
  C      -3.187480      6.723530      4.727892
  C      -2.817480      6.211531      3.367497
  N      -3.701318      6.450834      2.404901
  C      -3.448559      5.936179      1.175619
  N      -2.388949      5.250102      0.789527
  C      -1.448300      5.015858      1.753766
  C      -0.277009      4.296843      1.408913
  C       0.680794      4.027360      2.364392
  C       0.506727      4.466241      3.697477
  C      -0.621531      5.176178      4.057092
  C      -1.624189      5.469068      3.100101
  C      -7.014342      1.556367      5.104122
  C      -7.289330      0.165033      4.506241
  C      -8.609257      0.061597      3.798599
  N      -8.891129      1.035474      2.940388
  C     -10.030592      0.928434      2.213118
  N     -10.914159     -0.051462      2.239149
  C     -10.656860     -1.061536      3.124239
  C     -11.553102     -2.157361      3.192659
  C     -11.311241     -3.199016      4.063776
  C     -10.174166     -3.182844      4.904659
  C      -9.285037     -2.128558      4.856755
  C      -9.498851     -1.047287      3.965489
  H      -2.963300      2.452061      1.899815
  H      -1.349871      1.832212      2.284500
  H      -2.516471     -0.494203      2.577929
  H      -2.213313      0.140236      0.966123
  H      -6.341780      1.758106     -0.478636
  H      -8.209464     -2.126638      1.056429
  H      -7.496083     -3.912311      2.651779
  H      -5.227422     -3.827658      3.684152
  H      -3.684720     -1.980134      3.166595
  H      -5.117127      5.766689      4.656328
  H      -4.663703      6.373400      6.269439
  H      -3.608885      7.732087      4.601893
  H      -2.318846      6.804714      5.394689
  H      -4.221022      6.121430      0.422677
  H      -0.174316      3.963764      0.375094
  H       1.580442      3.471401      2.094191
  H       1.274748      4.249280      4.441915
  H      -0.739309      5.516138      5.085815
  H      -7.719162      1.742223      5.939177
  H      -7.215099      2.305796      4.330723
  H      -6.507186     -0.021966      3.752718
  H      -7.184289     -0.617215      5.267507
  H     -10.220951      1.751649      1.517106
  H     -12.424446     -2.145557      2.536313
  H     -11.999261     -4.044765      4.106749
  H      -9.999756     -4.012137      5.592149
  H      -8.408732     -2.135097      5.504905
  N      -5.044227      3.382906      3.286650
  N      -5.626906      3.827885      2.285500
  H      -5.258747      3.391658      1.417636
89
Coordinates from ORCA-job orca E -6140.652963471921
  N      -2.692760      1.824608      3.880639
  Mo     -4.210046      2.781207      4.748759
  N      -5.641509      1.668498      5.542909
  C      -5.376850      1.026230      6.829522
  C      -3.881640      0.793651      7.003092
  N      -3.129395      1.999900      6.580286
  C      -1.751192      1.695231      6.132481
  C      -1.780339      1.076568      4.740131
  C      -3.180613      3.085796      7.588977
  C      -3.024921      4.438466      6.904119
  N      -3.871534      4.492160      5.714275
  H      -0.753530      1.106431      4.327562
  H      -2.053706      0.002640      4.801457
  H      -1.211459      2.651115      6.081204
  H      -1.234547      1.041779      6.859692
  H      -3.313309      5.229194      7.622074
  H      -1.957990      4.617963      6.663214
  H      -4.170497      3.039584      8.063580
  H      -2.415855      2.929319      8.371842
  H      -5.883788      0.046820      6.901323
  H      -5.778571      1.638147      7.664069
  H      -3.567839     -0.029108      6.345347
  H      -3.631691      0.517456      8.044022
  C      -2.407405      1.678962      2.461498
  C      -2.788820      0.311287      1.858806
  C      -4.227917      0.185706      1.433871
  N      -4.696742      1.145197      0.642341
  C      -5.951503      0.999770      0.141750
  N      -6.784163     -0.002029      0.333420
  C      -6.348836     -0.983174      1.178631
  C      -7.221214     -2.056458      1.481350
  C      -6.829311     -3.042403      2.362288
  C      -5.548908     -3.000623      2.961037
  C      -4.672816     -1.973010      2.672877
  C      -5.048461     -0.935940      1.780567
  C      -4.302066      5.829654      5.350128
  C      -3.194412      6.715890      4.720944
  C      -2.804902      6.211097      3.363084
  N      -3.675943      6.455579      2.390327
  C      -3.405463      5.951222      1.160757
  N      -2.340172      5.268093      0.784931
  C      -1.411254      5.030727      1.759454
  C      -0.233932      4.317077      1.424605
  C       0.713497      4.045563      2.389893
  C       0.523027      4.477652      3.722945
  C      -0.611174      5.183172      4.073013
  C      -1.604297      5.476230      3.106077
  C      -7.018688      1.531661      5.091775
  C      -7.295336      0.131942      4.512316
  C      -8.616037      0.021307      3.807190
  N      -8.895832      0.983664      2.935117
  C     -10.040662      0.873139      2.216705
  N     -10.931065     -0.099644      2.262989
  C     -10.676006     -1.097387      3.162242
  C     -11.584053     -2.181430      3.257934
  C     -11.349958     -3.206693      4.150232
  C     -10.207203     -3.186575      4.983760
  C      -9.305776     -2.144258      4.908563
  C      -9.512660     -1.078796      3.996416
  H      -2.930082      2.462875      1.900615
  H      -1.324762      1.831917      2.298822
  H      -2.499236     -0.493576      2.544948
  H      -2.188497      0.166395      0.943586
  H      -6.297150      1.812861     -0.504731
  H      -8.207705     -2.059259      1.015684
  H      -7.515530     -3.854142      2.609859
  H      -5.252689     -3.787806      3.656329
  H      -3.691518     -1.954143      3.146921
  H      -5.122635      5.754934      4.624743
  H      -4.687524      6.359497      6.243903
  H      -3.615574      7.724408      4.593696
  H      -2.334631      6.795501      5.399015
  H      -4.167038      6.142148      0.398235
  H      -0.117117      3.990606      0.390218
  H       1.617927      3.493708      2.127143
  H       1.283432      4.259948      4.474990
  H      -0.739701      5.520502      5.101312
  H      -7.724334      1.729588      5.923215
  H      -7.217267      2.271978      4.309131
  H      -6.512805     -0.066656      3.762599
  H      -7.191644     -0.638540      5.285680
  H     -10.229861      1.686860      1.509316
  H     -12.459884     -2.172386      2.607516
  H     -12.049491     -4.041723      4.217092
  H     -10.039074     -4.002788      5.688288
  H      -8.426110     -2.147085      5.552174
  N      -5.048417      3.352348      3.267448
  N      -5.631716      3.785058      2.261456
  H      -5.264198      3.339637      1.397856
89
Coordinates from ORCA-job orca E -6140.653149404905
  N      -2.699867      1.829246      3.854124
  Mo     -4.223358      2.773781      4.724875
  N      -5.652606      1.654976      5.516143
  C      -5.385041      1.009195      6.800545
  C      -3.889280      0.778945      6.970969
  N      -3.140740      1.989209      6.553662
  C      -1.760873      1.691791      6.106085
  C      -1.786122      1.079435      4.710751
  C      -3.198013      3.071314      7.566127
  C      -3.045782      4.427347      6.887304
  N      -3.887977      4.482914      5.694325
  H      -0.758918      1.114281      4.299750
  H      -2.056635      0.004551      4.766975
  H      -1.225008      2.650050      6.059611
  H      -1.242461      1.037140      6.830924
  H      -3.340377      5.213882      7.607467
  H      -1.978820      4.612308      6.651142
  H      -4.188591      3.019244      8.038555
  H      -2.434277      2.914973      8.350014
  H      -5.889609      0.028481      6.869858
  H      -5.787133      1.617592      7.637471
  H      -3.574906     -0.039223      6.307731
  H      -3.637097      0.497198      8.009912
  C      -2.406270      1.703176      2.435194
  C      -2.780105      0.343483      1.809403
  C      -4.223320      0.214965      1.401271
  N      -4.699908      1.170597      0.609162
  C      -5.960877      1.024268      0.125014
  N      -6.791757      0.023408      0.330467
  C      -6.347931     -0.953264      1.176277
  C      -7.216846     -2.025219      1.494055
  C      -6.816609     -3.004769      2.378395
  C      -5.531312     -2.957627      2.966385
  C      -4.658498     -1.931589      2.663364
  C      -5.041893     -0.901906      1.765782
  C      -4.312528      5.821958      5.327819
  C      -3.197231      6.708393      4.713192
  C      -2.781213      6.197559      3.365301
  N      -3.640287      6.423318      2.377435
  C      -3.345112      5.912199      1.156437
  N      -2.267443      5.236196      0.803482
  C      -1.350486      5.018939      1.793572
  C      -0.160699      4.315118      1.482863
  C       0.776197      4.064940      2.464102
  C       0.562705      4.509929      3.789366
  C      -0.584324      5.205866      4.116184
  C      -1.567675      5.475976      3.132622
  C      -7.031720      1.518859      5.070413
  C      -7.314217      0.114222      4.505447
  C      -8.641339     -0.002846      3.814176
  N      -8.930508      0.953073      2.937981
  C     -10.084359      0.838521      2.234857
  N     -10.975397     -0.132546      2.299481
  C     -10.710430     -1.123804      3.203022
  C     -11.620008     -2.204491      3.319662
  C     -11.377530     -3.222263      4.218188
  C     -10.223587     -3.198529      5.036156
  C      -9.320119     -2.159622      4.940151
  C      -9.536410     -1.100946      4.022137
  H      -2.928481      2.493123      1.882195
  H      -1.323329      1.861627      2.279871
  H      -2.474446     -0.472615      2.474856
  H      -2.189790      0.226589      0.884068
  H      -6.313490      1.834579     -0.521147
  H      -8.207482     -2.031642      1.037302
  H      -7.499932     -3.815606      2.636730
  H      -5.229099     -3.738815      3.665870
  H      -3.673939     -1.907556      3.130458
  H      -5.124280      5.748580      4.592442
  H      -4.707913      6.350584      6.217949
  H      -3.619256      7.714921      4.573580
  H      -2.349582      6.794236      5.405462
  H      -4.095690      6.090059      0.379991
  H      -0.025027      3.979321      0.453815
  H       1.690217      3.520404      2.219900
  H       1.315481      4.310135      4.553965
  H      -0.729219      5.555067      5.138319
  H      -7.734090      1.726674      5.902283
  H      -7.230216      2.253255      4.282157
  H      -6.537648     -0.091016      3.751840
  H      -7.203474     -0.648363      5.285674
  H     -10.281720      1.647307      1.523974
  H     -12.504208     -2.198715      2.680629
  H     -12.078936     -4.054171      4.302201
  H     -10.048576     -4.009191      5.745412
  H      -8.431546     -2.159709      5.571464
  N      -5.060652      3.346606      3.243691
  N      -5.644881      3.775924      2.236815
  H      -5.271131      3.336725      1.372568
89
Coordinates from ORCA-job orca E -6140.653326534327
  N      -2.711167      1.835936      3.829591
  Mo     -4.238468      2.769835      4.706540
  N      -5.664018      1.647403      5.500706
  C      -5.387717      0.993536      6.779757
  C      -3.890607      0.766091      6.940618
  N      -3.147990      1.981404      6.528851
  C      -1.766999      1.694363      6.078261
  C      -1.791054      1.087460      4.680398
  C      -3.210344      3.059105      7.545524
  C      -3.063695      4.419013      6.873447
  N      -3.902697      4.477326      5.678463
  H      -0.765017      1.128956      4.267484
  H      -2.056128      0.011092      4.733880
  H      -1.237745      2.656415      6.034205
  H      -1.243067      1.040502      6.799842
  H      -3.364939      5.199905      7.597281
  H      -1.997173      4.611274      6.641464
  H      -4.200346      2.999949      8.018172
  H      -2.445313      2.903720      8.328340
  H      -5.888465      0.010826      6.844811
  H      -5.787790      1.595212      7.622407
  H      -3.578442     -0.045232      6.267892
  H      -3.631493      0.475533      7.975488
  C      -2.415037      1.729958      2.410389
  C      -2.775640      0.375706      1.762649
  C      -4.223500      0.233191      1.378603
  N      -4.716860      1.177606      0.582297
  C      -5.984537      1.019395      0.120358
  N      -6.804738      0.013369      0.345229
  C      -6.342626     -0.951590      1.194416
  C      -7.196440     -2.030564      1.530361
  C      -6.777828     -2.996151      2.421439
  C      -5.489189     -2.927011      3.000296
  C      -4.630404     -1.894977      2.678532
  C      -5.031502     -0.881211      1.770621
  C      -4.317968      5.818904      5.309610
  C      -3.192568      6.702664      4.710429
  C      -2.758022      6.193597      3.367319
  N      -3.602017      6.422275      2.366957
  C      -3.287325      5.916153      1.148969
  N      -2.205597      5.238551      0.811514
  C      -1.304368      5.017922      1.814738
  C      -0.112086      4.310798      1.521257
  C       0.809025      4.057139      2.516502
  C       0.577402      4.502064      3.838715
  C      -0.572544      5.200439      4.149390
  C      -1.540887      5.472971      3.151300
  C      -7.047385      1.512353      5.066837
  C      -7.335683      0.105280      4.508497
  C      -8.664930     -0.012621      3.822413
  N      -8.958418      0.943709      2.947866
  C     -10.117477      0.831100      2.253234
  N     -11.010073     -0.138002      2.324161
  C     -10.739423     -1.130841      3.224227
  C     -11.649939     -2.210145      3.346143
  C     -11.401737     -3.230171      4.240414
  C     -10.240165     -3.210902      5.047716
  C      -9.335602     -2.173486      4.946525
  C      -9.558541     -1.111267      4.033812
  H      -2.942690      2.523061      1.866945
  H      -1.333236      1.899015      2.257769
  H      -2.445769     -0.448784      2.405710
  H      -2.199666      0.292644      0.825327
  H      -6.352527      1.822236     -0.526551
  H      -8.191075     -2.052367      1.083000
  H      -7.449785     -3.812230      2.693063
  H      -5.173778     -3.695315      3.708181
  H      -3.643416     -1.853078      3.139393
  H      -5.121155      5.749001      4.564513
  H      -4.721375      6.346972      6.196402
  H      -3.608897      7.711029      4.567630
  H      -2.353486      6.783148      5.413585
  H      -4.024151      6.098245      0.360410
  H       0.040633      3.976144      0.494259
  H       1.725125      3.510439      2.285241
  H       1.318376      4.300019      4.614155
  H      -0.730628      5.551413      5.168919
  H      -7.742630      1.725197      5.903410
  H      -7.250124      2.244744      4.277709
  H      -6.559696     -0.102525      3.755586
  H      -7.224305     -0.652857      5.292830
  H     -10.318949      1.640515      1.544112
  H     -12.539048     -2.202000      2.713995
  H     -12.103893     -4.060847      4.329196
  H     -10.059884     -4.024290      5.752529
  H      -8.439628     -2.177740      5.567198
  N      -5.077112      3.347155      3.227893
  N      -5.666337      3.773716      2.222944
  H      -5.290461      3.344006      1.354956
89
Coordinates from ORCA-job orca E -6140.653492716287
  N      -2.719494      1.839541      3.795074
  Mo     -4.250355      2.761029      4.679383
  N      -5.676676      1.633857      5.466877
  C      -5.396118      0.967599      6.739125
  C      -3.898726      0.738113      6.893169
  N      -3.158018      1.958348      6.493693
  C      -1.775771      1.679667      6.041649
  C      -1.797737      1.084988      4.638548
  C      -3.224481      3.027324      7.519352
  C      -3.079012      4.393694      6.860256
  N      -3.912604      4.461250      5.662043
  H      -0.771896      1.131572      4.226042
  H      -2.061490      0.007924      4.683309
  H      -1.249788      2.643851      6.006019
  H      -1.250266      1.021221      6.757857
  H      -3.386248      5.166524      7.590411
  H      -2.012337      4.591590      6.634791
  H      -4.214986      2.961727      7.989915
  H      -2.460505      2.867111      8.302239
  H      -5.896647     -0.015557      6.796580
  H      -5.793721      1.561437      7.588425
  H      -3.589223     -0.064675      6.209056
  H      -3.636395      0.434541      7.923520
  C      -2.420760      1.756150      2.375784
  C      -2.764314      0.406674      1.707966
  C      -4.218757      0.238058      1.363307
  N      -4.742510      1.161860      0.561506
  C      -6.019608      0.981378      0.135749
  N      -6.820851     -0.031517      0.396854
  C      -6.326693     -0.974907      1.251891
  C      -7.157204     -2.059687      1.626191
  C      -6.706529     -3.001003      2.527464
  C      -5.408209     -2.900822      3.079968
  C      -4.571213     -1.863536      2.719766
  C      -5.004727     -0.875670      1.798301
  C      -4.322765      5.806037      5.298924
  C      -3.192052      6.693325      4.716637
  C      -2.738768      6.190175      3.377473
  N      -3.575567      6.409834      2.369018
  C      -3.242259      5.909697      1.153770
  N      -2.150006      5.243753      0.826887
  C      -1.256891      5.031111      1.839020
  C      -0.056021      4.333366      1.557921
  C       0.856947      4.087217      2.562561
  C       0.609234      4.532132      3.881809
  C      -0.549209      5.221454      4.180661
  C      -1.511153      5.483735      3.173201
  C      -7.064341      1.511599      5.043238
  C      -7.368276      0.106924      4.487336
  C      -8.705691     -0.003990      3.816916
  N      -9.010819      0.960169      2.954969
  C     -10.180036      0.854816      2.276483
  N     -11.073437     -0.113149      2.353009
  C     -10.790036     -1.114694      3.239478
  C     -11.700058     -2.193876      3.365630
  C     -11.438790     -3.222867      4.245790
  C     -10.264523     -3.212807      5.034564
  C      -9.360653     -2.175312      4.929497
  C      -9.596796     -1.103949      4.030858
  H      -2.957134      2.550142      1.842395
  H      -1.340765      1.939214      2.225199
  H      -2.396384     -0.423264      2.322841
  H      -2.212876      0.363123      0.753912
  H      -6.414383      1.769567     -0.513296
  H      -8.160532     -2.104244      1.200452
  H      -7.361084     -3.821180      2.828197
  H      -5.067953     -3.649395      3.797444
  H      -3.576259     -1.796949      3.160294
  H      -5.118773      5.741179      4.545777
  H      -4.734131      6.328335      6.185575
  H      -3.608854      7.701308      4.572144
  H      -2.361571      6.773624      5.429844
  H      -3.971725      6.086188      0.357093
  H       0.110823      3.999610      0.532829
  H       1.779605      3.547711      2.340679
  H       1.344723      4.337811      4.664415
  H      -0.719194      5.573273      5.197896
  H      -7.751360      1.731542      5.884836
  H      -7.265812      2.245701      4.255333
  H      -6.600708     -0.104586      3.726683
  H      -7.252581     -0.651686      5.270579
  H     -10.390919      1.670369      1.577194
  H     -12.598897     -2.178957      2.747543
  H     -12.139845     -4.053967      4.337513
  H     -10.073775     -4.033540      5.728018
  H      -8.454288     -2.186477      5.534814
  N      -5.085529      3.351363      3.204013
  N      -5.675110      3.780276      2.200314
  H      -5.293749      3.362043      1.329210
89
Coordinates from ORCA-job orca E -6140.653643412638
  N      -2.734566      1.836803      3.771522
  Mo     -4.263163      2.754405      4.664954
  N      -5.694009      1.632778      5.453371
  C      -5.408188      0.954565      6.718944
  C      -3.911287      0.715843      6.861758
  N      -3.167483      1.935700      6.469458
  C      -1.786494      1.657503      6.012944
  C      -1.812171      1.073081      4.605269
  C      -3.230258      2.998690      7.501692
  C      -3.083492      4.369991      6.853038
  N      -3.913697      4.447702      5.653200
  H      -0.787474      1.120565      4.190456
  H      -2.078582     -0.003690      4.642795
  H      -1.259466      2.621297      5.982483
  H      -1.260771      0.993682      6.724030
  H      -3.393782      5.135756      7.589609
  H      -2.016558      4.571079      6.632473
  H      -4.219584      2.931439      7.974285
  H      -2.464906      2.832844      8.282119
  H      -5.912143     -0.026984      6.770786
  H      -5.798971      1.542900      7.575120
  H      -3.611559     -0.081015      6.166591
  H      -3.643710      0.399373      7.886891
  C      -2.434087      1.783281      2.352213
  C      -2.763404      0.445284      1.652851
  C      -4.222814      0.250572      1.346680
  N      -4.773126      1.145653      0.529246
  C      -6.054731      0.936700      0.131793
  N      -6.832415     -0.086471      0.424266
  C      -6.310114     -0.999957      1.294380
  C      -7.112862     -2.094092      1.701552
  C      -6.636484     -2.998387      2.627078
  C      -5.340026     -2.850320      3.173891
  C      -4.527806     -1.806181      2.778258
  C      -4.986873     -0.858836      1.827577
  C      -4.316764      5.795668      5.295217
  C      -3.180527      6.681752      4.724395
  C      -2.719979      6.187440      3.384471
  N      -3.552029      6.410594      2.372612
  C      -3.207146      5.923825      1.155448
  N      -2.108882      5.267181      0.829705
  C      -1.223373      5.045942      1.846654
  C      -0.019160      4.352288      1.568851
  C       0.885491      4.097162      2.578766
  C       0.626677      4.529688      3.899971
  C      -0.534432      5.215339      4.195692
  C      -1.489279      5.485621      3.183002
  C      -7.085524      1.519961      5.040003
  C      -7.401848      0.114075      4.494690
  C      -8.737504      0.005674      3.820571
  N      -9.044426      0.972034      2.961602
  C     -10.212722      0.865973      2.281425
  N     -11.105455     -0.102783      2.355779
  C     -10.818686     -1.108329      3.236474
  C     -11.725197     -2.191175      3.356419
  C     -11.458039     -3.226682      4.227064
  C     -10.282613     -3.218466      5.013913
  C      -9.383526     -2.176328      4.916633
  C      -9.624755     -1.098706      4.026712
  H      -2.976767      2.582968      1.834104
  H      -1.355345      1.977676      2.204179
  H      -2.355246     -0.394062      2.228831
  H      -2.240483      0.452514      0.682558
  H      -6.474773      1.705554     -0.524389
  H      -8.117724     -2.172293      1.284374
  H      -7.270964     -3.824588      2.953487
  H      -4.981225     -3.568526      3.913054
  H      -3.533464     -1.701443      3.213076
  H      -5.108654      5.736591      4.537320
  H      -4.731527      6.315082      6.182100
  H      -3.593494      7.691909      4.584049
  H      -2.353060      6.755251      5.441987
  H      -3.929617      6.106579      0.353824
  H       0.158876      4.028485      0.542416
  H       1.810427      3.560634      2.359281
  H       1.356027      4.328965      4.686688
  H      -0.713747      5.557519      5.214514
  H      -7.764497      1.751281      5.885068
  H      -7.285712      2.250249      4.248081
  H      -6.631146     -0.108416      3.739925
  H      -7.295619     -0.638786      5.284631
  H     -10.425374      1.682868      1.584363
  H     -12.624657     -2.175102      2.739308
  H     -12.154431     -4.062239      4.312453
  H     -10.087035     -4.044492      5.699688
  H      -8.475489     -2.188262      5.519274
  N      -5.094565      3.360904      3.194008
  N      -5.686021      3.791844      2.192328
  H      -5.302811      3.384521      1.317249
89
Coordinates from ORCA-job orca E -6140.653724054065
  N      -2.739419      1.845624      3.751539
  Mo     -4.272256      2.751738      4.648550
  N      -5.700491      1.622010      5.431069
  C      -5.414398      0.942121      6.695407
  C      -3.917342      0.705159      6.838214
  N      -3.175952      1.927794      6.450186
  C      -1.794193      1.653139      5.993301
  C      -1.817585      1.077360      4.581718
  C      -3.241534      2.986236      7.486988
  C      -3.096701      4.360324      6.843884
  N      -3.924819      4.441114      5.642509
  H      -0.792346      1.129677      4.168677
  H      -2.082433     -0.000094      4.610804
  H      -1.267653      2.617394      5.969438
  H      -1.269109      0.985347      6.701163
  H      -3.408844      5.123125      7.582561
  H      -2.029654      4.563345      6.625438
  H      -4.231185      2.915521      7.958481
  H      -2.476908      2.818087      8.267628
  H      -5.917116     -0.040173      6.745456
  H      -5.806213      1.528110      7.552747
  H      -3.615710     -0.089235      6.141085
  H      -3.650120      0.386431      7.862713
  C      -2.432295      1.808967      2.333219
  C      -2.752725      0.477865      1.618755
  C      -4.212250      0.270568      1.323546
  N      -4.774059      1.153538      0.501235
  C      -6.056075      0.930660      0.112660
  N      -6.822801     -0.097131      0.417378
  C      -6.289367     -0.996210      1.295889
  C      -7.080110     -2.093792      1.716337
  C      -6.593017     -2.981471      2.652536
  C      -5.298404     -2.812504      3.197469
  C      -4.496595     -1.766168      2.786866
  C      -4.965897     -0.837615      1.823045
  C      -4.323841      5.790286      5.285163
  C      -3.179983      6.674622      4.726713
  C      -2.706155      6.181043      3.390894
  N      -3.524815      6.411282      2.369753
  C      -3.165037      5.931347      1.153945
  N      -2.063323      5.275759      0.837922
  C      -1.191524      5.046396      1.865099
  C       0.016336      4.354840      1.597935
  C       0.906745      4.090048      2.617903
  C       0.629220      4.510835      3.939136
  C      -0.534615      5.196498      4.223916
  C      -1.474864      5.477092      3.200809
  C      -7.092058      1.510502      5.016742
  C      -7.415943      0.102901      4.481966
  C      -8.757392     -0.006518      3.818696
  N      -9.072598      0.958627      2.961570
  C     -10.248211      0.852448      2.293849
  N     -11.142112     -0.114123      2.381168
  C     -10.848695     -1.117041      3.262631
  C     -11.760169     -2.193528      3.401706
  C     -11.488866     -3.224167      4.276853
  C     -10.303016     -3.218025      5.048006
  C      -9.398858     -2.182020      4.931807
  C      -9.645086     -1.108702      4.037960
  H      -2.977192      2.611247      1.821179
  H      -1.353777      2.009474      2.191731
  H      -2.327386     -0.365264      2.176856
  H      -2.240408      0.506623      0.643008
  H      -6.486862      1.690276     -0.547288
  H      -8.084076     -2.188504      1.300332
  H      -7.217397     -3.811115      2.988522
  H      -4.932192     -3.517260      3.945860
  H      -3.503172     -1.644308      3.219411
  H      -5.109630      5.735181      4.520722
  H      -4.744794      6.308320      6.169972
  H      -3.589891      7.685617      4.582682
  H      -2.360355      6.747425      5.453353
  H      -3.878227      6.118114      0.344999
  H       0.207692      4.040184      0.570967
  H       1.834124      3.554355      2.406990
  H       1.347094      4.302470      4.734361
  H      -0.727638      5.530107      5.243130
  H      -7.770626      1.749957      5.859955
  H      -7.289189      2.236173      4.219902
  H      -6.652617     -0.129039      3.722270
  H      -7.306411     -0.646103      5.275044
  H     -10.467162      1.667558      1.596681
  H     -12.668348     -2.174957      2.797563
  H     -12.190915     -4.053549      4.378928
  H     -10.104553     -4.039468      5.738442
  H      -8.485583     -2.193699      5.526416
  N      -5.108760      3.358855      3.180715
  N      -5.703972      3.787173      2.179924
  H      -5.312211      3.389378      1.304205
89
Coordinates from ORCA-job orca E -6140.653749316682
  N      -2.737515      1.837926      3.763866
  Mo     -4.272271      2.746216      4.656153
  N      -5.703340      1.621012      5.440263
  C      -5.420081      0.942958      6.705983
  C      -3.923537      0.704124      6.851202
  N      -3.179482      1.924513      6.461104
  C      -1.797398      1.645689      6.007466
  C      -1.819292      1.068234      4.596384
  C      -3.244815      2.985355      7.495394
  C      -3.097990      4.357898      6.849528
  N      -3.923352      4.437005      5.646105
  H      -0.792967      1.118027      4.185578
  H      -2.086456     -0.008638      4.625591
  H      -1.268210      2.608471      5.983389
  H      -1.275803      0.977584      6.717603
  H      -3.410917      5.122421      7.586027
  H      -2.030239      4.559581      6.633241
  H      -4.234933      2.916954      7.966278
  H      -2.481048      2.818101      8.277038
  H      -5.924052     -0.038675      6.756785
  H      -5.812395      1.530781      7.561862
  H      -3.622388     -0.092503      6.156387
  H      -3.658188      0.387474      7.876832
  C      -2.423650      1.807404      2.346989
  C      -2.744069      0.482085      1.621046
  C      -4.202801      0.275636      1.323520
  N      -4.764121      1.158131      0.500746
  C      -6.046252      0.935107      0.112264
  N      -6.810865     -0.095564      0.413040
  C      -6.276842     -0.995051      1.291115
  C      -7.062535     -2.099836      1.702281
  C      -6.574294     -2.987427      2.638127
  C      -5.284779     -2.810995      3.192539
  C      -4.486981     -1.758899      2.789304
  C      -4.956553     -0.831838      1.824285
  C      -4.321601      5.785790      5.285996
  C      -3.177006      6.668841      4.725500
  C      -2.709226      6.181880      3.384935
  N      -3.528600      6.424466      2.367156
  C      -3.170370      5.958044      1.145477
  N      -2.068939      5.306591      0.820287
  C      -1.197340      5.062944      1.844286
  C       0.010135      4.374376      1.567799
  C       0.900480      4.095599      2.584044
  C       0.623088      4.498813      3.910881
  C      -0.540169      5.181567      4.204564
  C      -1.480270      5.476441      3.185549
  C      -7.093981      1.508342      5.022275
  C      -7.420136      0.097301      4.497781
  C      -8.756072     -0.011703      3.822482
  N      -9.062723      0.951589      2.960300
  C     -10.234909      0.847416      2.285961
  N     -11.133585     -0.114648      2.372257
  C     -10.849229     -1.115861      3.258319
  C     -11.768527     -2.185546      3.398716
  C     -11.507931     -3.213964      4.279581
  C     -10.323707     -3.213343      5.053562
  C      -9.411797     -2.184112      4.935855
  C      -9.648266     -1.111663      4.037987
  H      -2.964451      2.613967      1.837171
  H      -1.343919      2.005999      2.211428
  H      -2.317788     -0.366685      2.170056
  H      -2.233052      0.521339      0.644934
  H      -6.478288      1.695953     -0.545464
  H      -8.063186     -2.200541      1.279786
  H      -7.193629     -3.823642      2.966713
  H      -4.919379     -3.514904      3.942133
  H      -3.496746     -1.631062      3.227450
  H      -5.108083      5.730384      4.522294
  H      -4.741993      6.305703      6.169969
  H      -3.584625      7.681598      4.587411
  H      -2.354583      6.736675      5.449425
  H      -3.883213      6.156098      0.338933
  H       0.202013      4.074460      0.536505
  H       1.827873      3.562854      2.365852
  H       1.340572      4.279039      4.703385
  H      -0.733304      5.501888      5.228014
  H      -7.774443      1.755502      5.861779
  H      -7.286769      2.228190      4.219180
  H      -6.651071     -0.146778      3.748214
  H      -7.322878     -0.645419      5.298315
  H     -10.447004      1.660573      1.584511
  H     -12.674910     -2.162473      2.792018
  H     -12.217690     -4.036668      4.384442
  H     -10.133132     -4.033196      5.748103
  H      -8.501328     -2.199419      5.534661
  N      -5.109272      3.350256      3.187133
  N      -5.707261      3.774124      2.186160
  H      -5.312242      3.380250      1.310098
89
Coordinates from ORCA-job orca E -6140.653759486899
  N      -2.738547      1.838136      3.760223
  Mo     -4.274883      2.742825      4.653516
  N      -5.704430      1.615719      5.437783
  C      -5.420155      0.937342      6.702861
  C      -3.923276      0.700027      6.847346
  N      -3.180480      1.921540      6.457522
  C      -1.798263      1.643739      6.003630
  C      -1.820331      1.067674      4.592080
  C      -3.246360      2.981876      7.492320
  C      -3.100396      4.354647      6.846636
  N      -3.925920      4.433297      5.643310
  H      -0.793944      1.117660      4.181410
  H      -2.087679     -0.009082      4.620442
  H      -1.269189      2.606580      5.980633
  H      -1.276693      0.974883      6.713027
  H      -3.413122      5.119413      7.582919
  H      -2.032692      4.556360      6.629989
  H      -4.236428      2.912679      7.963216
  H      -2.482479      2.814631      8.273810
  H      -5.923427     -0.044609      6.753901
  H      -5.812164      1.524617      7.559308
  H      -3.621279     -0.096160      6.152357
  H      -3.657418      0.383637      7.872927
  C      -2.422731      1.811648      2.343677
  C      -2.740860      0.488059      1.613360
  C      -4.200471      0.277940      1.323490
  N      -4.767349      1.157992      0.502152
  C      -6.052059      0.933982      0.122949
  N      -6.814144     -0.096467      0.430777
  C      -6.273565     -0.994810      1.306241
  C      -7.056283     -2.099152      1.724606
  C      -6.561173     -2.985276      2.658258
  C      -5.267981     -2.807603      3.203578
  C      -4.473564     -1.755269      2.794119
  C      -4.950141     -0.829528      1.831142
  C      -4.323740      5.781885      5.281770
  C      -3.178816      6.664630      4.721179
  C      -2.708414      6.175880      3.382219
  N      -3.528085      6.412637      2.363336
  C      -3.166738      5.945480      1.142802
  N      -2.061866      5.298793      0.819627
  C      -1.189866      5.061365      1.844795
  C       0.021367      4.378486      1.570532
  C       0.912378      4.106173      2.587960
  C       0.631657      4.510119      3.913909
  C      -0.535526      5.187153      4.205366
  C      -1.476135      5.475599      3.185059
  C      -7.095811      1.506703      5.021662
  C      -7.426601      0.096174      4.499724
  C      -8.763617     -0.008846      3.825949
  N      -9.071156      0.959496      2.970018
  C     -10.244295      0.859959      2.296763
  N     -11.143422     -0.101941      2.379014
  C     -10.858012     -1.108632      3.258580
  C     -11.777890     -2.178345      3.394316
  C     -11.516205     -3.212559      4.268010
  C     -10.329809     -3.218200      5.038685
  C      -9.417160     -2.189113      4.925290
  C      -9.655311     -1.110297      4.035631
  H      -2.964475      2.618620      1.835416
  H      -1.343219      2.012583      2.209896
  H      -2.308491     -0.361873      2.155583
  H      -2.235599      0.533763      0.634526
  H      -6.488901      1.693532     -0.533057
  H      -8.059687     -2.201083      1.309063
  H      -7.177387     -3.821920      2.992048
  H      -4.897499     -3.510141      3.951982
  H      -3.480620     -1.626028      3.225596
  H      -5.109630      5.725977      4.517482
  H      -4.744954      6.302650      6.164826
  H      -3.587023      7.676851      4.580635
  H      -2.357715      6.734771      5.446289
  H      -3.880212      6.138331      0.335503
  H       0.215307      4.077970      0.539804
  H       1.842726      3.577873      2.371534
  H       1.349445      4.295237      4.707479
  H      -0.731115      5.508172      5.228155
  H      -7.774973      1.757340      5.861287
  H      -7.286941      2.225889      4.217698
  H      -6.659621     -0.152072      3.749546
  H      -7.330898     -0.646628      5.300514
  H     -10.456701      1.677262      1.600171
  H     -12.685486     -2.150674      2.789618
  H     -12.226682     -4.034925      4.369239
  H     -10.137694     -4.043249      5.726612
  H      -8.504589     -2.210294      5.520820
  N      -5.115417      3.345396      3.185824
  N      -5.717138      3.767375      2.186194
  H      -5.326736      3.370235      1.309477
89
Coordinates from ORCA-job orca E -6140.653766192282
  N      -2.737839      1.838883      3.764524
  Mo     -4.274579      2.744938      4.655557
  N      -5.705284      1.618598      5.438910
  C      -5.423464      0.942855      6.705696
  C      -3.926836      0.705030      6.853171
  N      -3.182485      1.925254      6.461680
  C      -1.800238      1.644686      6.009297
  C      -1.821957      1.067584      4.598276
  C      -3.247429      2.986919      7.495132
  C      -3.098903      4.358316      6.847182
  N      -3.924378      4.435813      5.643901
  H      -0.794996      1.115231      4.188758
  H      -2.091353     -0.008587      4.627406
  H      -1.269230      2.606436      5.986268
  H      -1.280782      0.975233      6.719663
  H      -3.409819      5.125426      7.581731
  H      -2.030728      4.557272      6.629882
  H      -4.237993      2.919929      7.965359
  H      -2.484396      2.819394      8.277366
  H      -5.927430     -0.038660      6.758181
  H      -5.816197      1.532061      7.560546
  H      -3.623741     -0.093276      6.161105
  H      -3.663051      0.391555      7.880166
  C      -2.420509      1.810418      2.348223
  C      -2.741136      0.487509      1.618198
  C      -4.200848      0.281261      1.325351
  N      -4.764906      1.164161      0.505386
  C      -6.049809      0.943879      0.124333
  N      -6.814808     -0.084921      0.429886
  C      -6.276691     -0.987237      1.302909
  C      -7.062967     -2.090117      1.718470
  C      -6.569849     -2.981146      2.648538
  C      -5.275583     -2.809817      3.193032
  C      -4.478256     -1.758342      2.787033
  C      -4.952781     -0.827203      1.828210
  C      -4.321049      5.784049      5.280206
  C      -3.175374      6.664098      4.717151
  C      -2.706400      6.172795      3.378795
  N      -3.526991      6.407976      2.360279
  C      -3.166423      5.939419      1.140016
  N      -2.061185      5.293579      0.816532
  C      -1.188550      5.057204      1.841482
  C       0.023173      4.375392      1.566931
  C       0.914853      4.104107      2.584032
  C       0.633967      4.507598      3.910121
  C      -0.533839      5.183486      4.201802
  C      -1.474508      5.471919      3.181573
  C      -7.095810      1.509252      5.019633
  C      -7.428382      0.097044      4.504435
  C      -8.766025     -0.008951      3.831311
  N      -9.077148      0.960799      2.978418
  C     -10.250046      0.859226      2.304885
  N     -11.146335     -0.105405      2.385405
  C     -10.857210     -1.113667      3.261976
  C     -11.773306     -2.186971      3.394778
  C     -11.506810     -3.223984      4.263704
  C     -10.319413     -3.228450      5.032840
  C      -9.410821     -2.195347      4.922855
  C      -9.654009     -1.113831      4.038125
  H      -2.960360      2.618136      1.839070
  H      -1.340463      2.009029      2.215614
  H      -2.312756     -0.363621      2.161591
  H      -2.233704      0.530288      0.640273
  H      -6.484395      1.705941     -0.530238
  H      -8.067060     -2.187502      1.303532
  H      -7.187947     -3.817213      2.980244
  H      -4.906561     -3.516642      3.938112
  H      -3.484311     -1.634266      3.217540
  H      -5.107513      5.727889      4.516519
  H      -4.741116      6.307195      6.162389
  H      -3.582495      7.676536      4.574860
  H      -2.353889      6.734942      5.441799
  H      -3.881052      6.130545      0.333342
  H       0.216030      4.074384      0.536164
  H       1.845492      3.576370      2.367515
  H       1.351870      4.292828      4.703610
  H      -0.730039      5.503279      5.224882
  H      -7.776598      1.764581      5.856571
  H      -7.284220      2.224757      4.211885
  H      -6.662211     -0.157078      3.755040
  H      -7.334143     -0.643030      5.308107
  H     -10.464906      1.677334      1.610044
  H     -12.681320     -2.160260      2.790665
  H     -12.214207     -4.049379      4.361699
  H     -10.122876     -4.056126      5.716347
  H      -8.496841     -2.216826      5.516335
  N      -5.115278      3.346608      3.187530
  N      -5.718033      3.768531      2.188427
  H      -5.325078      3.374586      1.311389
89
Coordinates from ORCA-job orca E -6140.653787538732
  N      -2.735499      1.837162      3.773918
  Mo     -4.274132      2.744805      4.659989
  N      -5.709006      1.621280      5.439908
  C      -5.432542      0.947997      6.708850
  C      -3.936625      0.707514      6.861626
  N      -3.187707      1.924968      6.469400
  C      -1.805148      1.638824      6.020998
  C      -1.825379      1.061852      4.610003
  C      -3.250936      2.988079      7.501414
  C      -3.096499      4.357796      6.851428
  N      -3.920184      4.435055      5.647404
  H      -0.797015      1.104229      4.203533
  H      -2.100048     -0.012975      4.639035
  H      -1.269955      2.598244      5.999569
  H      -1.290785      0.967056      6.732854
  H      -3.405564      5.127939      7.583571
  H      -2.027095      4.552459      6.635318
  H      -4.242660      2.924925      7.969771
  H      -2.489893      2.818976      8.285219
  H      -5.938247     -0.032470      6.762157
  H      -5.826414      1.539608      7.561654
  H      -3.632438     -0.093593      6.173313
  H      -3.677046      0.396985      7.890589
  C      -2.413217      1.812389      2.358969
  C      -2.735574      0.493689      1.622354
  C      -4.196410      0.290241      1.332293
  N      -4.760213      1.172136      0.511304
  C      -6.046682      0.953627      0.133810
  N      -6.812890     -0.072972      0.443284
  C      -6.273918     -0.975960      1.315291
  C      -7.060246     -2.078725      1.731440
  C      -6.565391     -2.970945      2.659441
  C      -5.270479     -2.800113      3.202329
  C      -4.473582     -1.748416      2.796051
  C      -4.948981     -0.816915      1.838059
  C      -4.312625      5.783704      5.281073
  C      -3.165463      6.657610      4.712305
  C      -2.704208      6.165520      3.371837
  N      -3.531101      6.400231      2.358169
  C      -3.176573      5.933798      1.135428
  N      -2.071789      5.290944      0.804841
  C      -1.193466      5.053977      1.824796
  C       0.018418      4.375873      1.542266
  C       0.915949      4.104263      2.554069
  C       0.640320      4.502384      3.882986
  C      -0.527785      5.174258      4.182480
  C      -1.473300      5.465048      3.167188
  C      -7.098789      1.515121      5.016165
  C      -7.441753      0.097611      4.523755
  C      -8.775944     -0.007183      3.842047
  N      -9.089348      0.968074      2.996555
  C     -10.259224      0.865704      2.317454
  N     -11.151958     -0.102759      2.388746
  C     -10.859743     -1.117504      3.256790
  C     -11.770862     -2.196384      3.377720
  C     -11.499643     -3.241757      4.235137
  C     -10.312334     -3.248687      5.004378
  C      -9.409476     -2.209245      4.907141
  C      -9.658018     -1.119092      4.035003
  H      -2.949980      2.623051      1.851117
  H      -1.332333      2.008757      2.230384
  H      -2.307813     -0.361386      2.159865
  H      -2.230203      0.541262      0.643701
  H      -6.481421      1.715506     -0.520841
  H      -8.065433     -2.175376      1.319128
  H      -7.181809     -3.807943      2.991904
  H      -4.900517     -3.508028      3.945917
  H      -3.478629     -1.625189      3.224327
  H      -5.101413      5.728652      4.519686
  H      -4.728510      6.311245      6.162605
  H      -3.568387      7.671937      4.571359
  H      -2.340494      6.725163      5.433370
  H      -3.896679      6.123766      0.333361
  H       0.205723      4.077274      0.509841
  H       1.846744      3.579318      2.331508
  H       1.362070      4.285716      4.672449
  H      -0.720807      5.488735      5.207799
  H      -7.781161      1.789256      5.845912
  H      -7.278254      2.218849      4.196437
  H      -6.672101     -0.180252      3.785582
  H      -7.363613     -0.630384      5.340396
  H     -10.475122      1.687355      1.627236
  H     -12.677764     -2.167904      2.772028
  H     -12.203295     -4.071440      4.322795
  H     -10.110543     -4.083910      5.677099
  H      -8.493824     -2.235250      5.497993
  N      -5.112025      3.349234      3.191336
  N      -5.716985      3.772698      2.194100
  H      -5.313181      3.395521      1.314598
89
Coordinates from ORCA-job orca E -6140.653836906172
  N      -2.729694      1.834010      3.794985
  Mo     -4.272743      2.743759      4.670808
  N      -5.714359      1.624972      5.445053
  C      -5.447840      0.960245      6.720063
  C      -3.953302      0.715416      6.883619
  N      -3.195845      1.926748      6.487255
  C      -1.813151      1.628708      6.046108
  C      -1.831629      1.050451      4.635657
  C      -3.254670      2.994246      7.515009
  C      -3.089685      4.359607      6.858666
  N      -3.911531      4.434142      5.654041
  H      -0.800789      1.080821      4.234646
  H      -2.117899     -0.021353      4.665634
  H      -1.269555      2.583379      6.026397
  H      -1.308584      0.953137      6.761304
  H      -3.394224      5.136818      7.585158
  H      -2.018182      4.545810      6.643296
  H      -4.248172      2.939257      7.980766
  H      -2.496689      2.823296      8.301353
  H      -5.956272     -0.018237      6.777982
  H      -5.843847      1.558746      7.567311
  H      -3.646781     -0.092680      6.204618
  H      -3.701748      0.413228      7.917053
  C      -2.397700      1.816820      2.382833
  C      -2.724279      0.506580      1.633758
  C      -4.187848      0.309055      1.351096
  N      -4.752112      1.189794      0.529761
  C      -6.043032      0.976800      0.163000
  N      -6.811845     -0.044765      0.481308
  C      -6.269862     -0.950345      1.349102
  C      -7.055070     -2.054364      1.764413
  C      -6.554991     -2.951390      2.684911
  C      -5.257982     -2.782421      3.223086
  C      -4.462833     -1.729091      2.817471
  C      -4.941671     -0.794766      1.864066
  C      -4.295712      5.782933      5.280029
  C      -3.145545      6.642926      4.698088
  C      -2.701470      6.148714      3.352990
  N      -3.539342      6.387523      2.348947
  C      -3.196818      5.928302      1.120270
  N      -2.092986      5.292115      0.774190
  C      -1.204790      5.049140      1.784198
  C       0.007017      4.378259      1.484682
  C       0.913422      4.099219      2.486358
  C       0.646025      4.479651      3.822321
  C      -0.521727      5.144380      4.138428
  C      -1.474015      5.447034      3.132550
  C      -7.103211      1.527051      5.013550
  C      -7.475467      0.098865      4.579166
  C      -8.798509     -0.001887      3.872286
  N      -9.114856      0.987910      3.045738
  C     -10.275150      0.885479      2.349494
  N     -11.158878     -0.092529      2.392924
  C     -10.861859     -1.124325      3.239180
  C     -11.761145     -2.216236      3.326607
  C     -11.481376     -3.282107      4.155756
  C     -10.296527     -3.296628      4.928551
  C      -9.406949     -2.243035      4.866158
  C      -9.665989     -1.131157      4.025818
  H      -2.928235      2.633309      1.877588
  H      -1.315110      2.008350      2.262057
  H      -2.297575     -0.356204      2.159610
  H      -2.223875      0.563466      0.653277
  H      -6.478616      1.738967     -0.490715
  H      -8.062841     -2.149189      1.358226
  H      -7.167019     -3.791506      3.017461
  H      -4.884722     -3.494260      3.961265
  H      -3.465113     -1.608609      3.239832
  H      -5.089576      5.729009      4.523772
  H      -4.702274      6.320887      6.159573
  H      -3.538633      7.661623      4.560218
  H      -2.312778      6.702732      5.410965
  H      -3.926577      6.120072      0.327332
  H       0.185135      4.089638      0.447861
  H       1.844182      3.579816      2.250975
  H       1.373292      4.253548      4.604017
  H      -0.710286      5.442549      5.169465
  H      -7.787139      1.849778      5.824578
  H      -7.260961      2.199939      4.164630
  H      -6.697843     -0.240294      3.874020
  H      -7.441214     -0.595241      5.428165
  H     -10.491650      1.717656      1.672272
  H     -12.664092     -2.181839      2.715340
  H     -12.176706     -4.121142      4.215969
  H     -10.085127     -4.149425      5.575823
  H      -8.490365     -2.279148      5.455162
  N      -5.107015      3.353558      3.202033
  N      -5.720004      3.780392      2.210973
  H      -5.299861      3.436025      1.325861
89
Coordinates from ORCA-job orca E -6140.653892046581
  N      -2.724053      1.834027      3.810828
  Mo     -4.272035      2.741807      4.679088
  N      -5.716387      1.623408      5.448497
  C      -5.456012      0.966853      6.728763
  C      -3.962312      0.721203      6.900398
  N      -3.200420      1.928975      6.500720
  C      -1.817426      1.624154      6.064501
  C      -1.834435      1.044674      4.654297
  C      -3.257490      2.999979      7.525094
  C      -3.086749      4.362207      6.863765
  N      -3.907203      4.433429      5.658376
  H      -0.802026      1.066441      4.256957
  H      -2.128887     -0.024967      4.685266
  H      -1.269218      2.576184      6.045617
  H      -1.318685      0.946798      6.782045
  H      -3.389290      5.144253      7.585872
  H      -2.014042      4.543959      6.649336
  H      -4.252246      2.949709      7.988810
  H      -2.501525      2.828989      8.313358
  H      -5.964694     -0.010961      6.791487
  H      -5.854321      1.570915      7.571145
  H      -3.652883     -0.091716      6.228525
  H      -3.716248      0.425709      7.937091
  C      -2.385895      1.823974      2.400660
  C      -2.716305      0.520106      1.642778
  C      -4.182927      0.326169      1.371578
  N      -4.751367      1.206865      0.553389
  C      -6.047261      0.998381      0.200770
  N      -6.816294     -0.020020      0.527758
  C      -6.267566     -0.928949      1.387945
  C      -7.047727     -2.037523      1.800552
  C      -6.538504     -2.941300      2.709278
  C      -5.238630     -2.772425      3.240660
  C      -4.448774     -1.714256      2.837161
  C      -4.935096     -0.775581      1.891991
  C      -4.283029      5.782352      5.275747
  C      -3.129164      6.629306      4.683185
  C      -2.698800      6.132226      3.334596
  N      -3.544099      6.376373      2.337728
  C      -3.211244      5.922987      1.104455
  N      -2.108929      5.290598      0.746576
  C      -1.213695      5.041702      1.748858
  C      -0.002582      4.375353      1.436217
  C       0.909547      4.088479      2.430336
  C       0.648388      4.454367      3.771702
  C      -0.517955      5.115301      4.100651
  C      -1.474730      5.428541      3.102020
  C      -7.106102      1.536731      5.014972
  C      -7.513841      0.102311      4.639643
  C      -8.823237      0.006504      3.904840
  N      -9.141260      1.010399      3.096918
  C     -10.290048      0.908053      2.381003
  N     -11.162776     -0.080421      2.392116
  C     -10.862317     -1.128640      3.217051
  C     -11.748633     -2.233366      3.268401
  C     -11.462918     -3.316768      4.072677
  C     -10.284218     -3.336659      4.854538
  C      -9.408463     -2.269959      4.828583
  C      -9.675207     -1.139535      4.016286
  H      -2.912527      2.644754      1.898262
  H      -1.302265      2.012317      2.284495
  H      -2.287951     -0.347748      2.158975
  H      -2.222748      0.585053      0.659564
  H      -6.486369      1.761464     -0.449532
  H      -8.058236     -2.132079      1.401270
  H      -7.144020     -3.786927      3.039514
  H      -4.858510     -3.489233      3.970486
  H      -3.447816     -1.595662      3.252299
  H      -5.080429      5.728965      4.523127
  H      -4.681857      6.329883      6.152882
  H      -3.512379      7.652102      4.547426
  H      -2.290221      6.681477      5.389495
  H      -3.948020      6.117258      0.318538
  H       0.169353      4.095548      0.395956
  H       1.839809      3.572735      2.185063
  H       1.379357      4.219556      4.547352
  H      -0.702533      5.401031      5.135902
  H      -7.786579      1.909727      5.807314
  H      -7.244026      2.178590      4.139483
  H      -6.730982     -0.301103      3.973916
  H      -7.527865     -0.551845      5.520781
  H     -10.506577      1.751486      1.717832
  H     -12.645743     -2.194294      2.648869
  H     -12.149485     -4.164530      4.105049
  H     -10.066638     -4.203574      5.480706
  H      -8.495403     -2.311616      5.422740
  N      -5.104748      3.356580      3.211457
  N      -5.726952      3.787266      2.227725
  H      -5.292270      3.477599      1.337068
89
Coordinates from ORCA-job orca E -6140.654021090956
  N      -2.717087      1.838534      3.816507
  Mo     -4.269597      2.739071      4.682457
  N      -5.710741      1.614053      5.447208
  C      -5.450587      0.963139      6.730740
  C      -3.956761      0.721965      6.906181
  N      -3.196721      1.930611      6.505685
  C      -1.813077      1.627545      6.070129
  C      -1.829262      1.047576      4.659531
  C      -3.255869      3.002968      7.528903
  C      -3.086975      4.364738      6.865915
  N      -3.907124      4.432915      5.659809
  H      -0.796749      1.066993      4.262432
  H      -2.125787     -0.021650      4.691315
  H      -1.266389      2.580497      6.050906
  H      -1.313410      0.951279      6.788052
  H      -3.391569      5.147220      7.586734
  H      -2.014486      4.548916      6.652493
  H      -4.251005      2.951754      7.991746
  H      -2.500089      2.834019      8.317811
  H      -5.955573     -0.016255      6.796961
  H      -5.851881      1.569449      7.570109
  H      -3.643457     -0.091700      6.237017
  H      -3.712366      0.429161      7.944029
  C      -2.381616      1.830272      2.406061
  C      -2.714973      0.525236      1.652005
  C      -4.184884      0.329011      1.399075
  N      -4.764057      1.208922      0.587494
  C      -6.065280      1.001006      0.254580
  N      -6.829624     -0.017543      0.591871
  C      -6.267822     -0.927826      1.441978
  C      -7.036235     -2.044924      1.852716
  C      -6.512000     -2.954046      2.747335
  C      -5.208395     -2.779692      3.268530
  C      -4.429510     -1.713363      2.865005
  C      -4.929788     -0.772074      1.929990
  C      -4.277201      5.782000      5.270225
  C      -3.120325      6.620612      4.672043
  C      -2.699267      6.123906      3.319609
  N      -3.546114      6.379992      2.326771
  C      -3.219377      5.934442      1.089225
  N      -2.119573      5.301988      0.722970
  C      -1.222434      5.041902      1.720517
  C      -0.013581      4.375089      1.398753
  C       0.898172      4.073822      2.388875
  C       0.639429      4.424641      3.734683
  C      -0.523251      5.087544      4.072662
  C      -1.479446      5.415816      3.078327
  C      -7.103975      1.544848      5.020257
  C      -7.555074      0.111208      4.699790
  C      -8.847768      0.024355      3.933940
  N      -9.166792      1.045026      3.148601
  C     -10.302864      0.946033      2.411436
  N     -11.161939     -0.053794      2.381942
  C     -10.859778     -1.120304      3.183049
  C     -11.732440     -2.237058      3.193387
  C     -11.445008     -3.336345      3.975541
  C     -10.277533     -3.361557      4.773653
  C      -9.415137     -2.283804      4.787127
  C      -9.684590     -1.136940      3.999006
  H      -2.910148      2.650266      1.904621
  H      -1.298378      2.018891      2.286326
  H      -2.280076     -0.340466      2.166803
  H      -2.231072      0.590667      0.664223
  H      -6.512744      1.763789     -0.390449
  H      -8.049502     -2.143628      1.461406
  H      -7.107867     -3.807384      3.074778
  H      -4.815871     -3.499659      3.988598
  H      -3.424966     -1.592917      3.271117
  H      -5.076363      5.728246      4.519497
  H      -4.670961      6.335351      6.145964
  H      -3.495389      7.646981      4.540460
  H      -2.276767      6.664482      5.373506
  H      -3.958120      6.137252      0.307177
  H       0.157476      4.106446      0.355330
  H       1.826652      3.558140      2.136719
  H       1.370193      4.177496      4.506704
  H      -0.705545      5.362060      5.111307
  H      -7.773888      1.967735      5.796421
  H      -7.225277      2.159399      4.123119
  H      -6.770629     -0.357865      4.079747
  H      -7.623112     -0.497836      5.610748
  H     -10.519954      1.804566      1.767922
  H     -12.621783     -2.192788      2.563092
  H     -12.122824     -4.191892      3.978721
  H     -10.059791     -4.239682      5.383998
  H      -8.512624     -2.326553      5.396928
  N      -5.103769      3.360202      3.218723
  N      -5.736515      3.797448      2.244587
  H      -5.298645      3.512542      1.347677
89
Coordinates from ORCA-job orca E -6140.654169491538
  N      -2.710345      1.841605      3.805818
  Mo     -4.265491      2.732759      4.674062
  N      -5.701535      1.597428      5.433214
  C      -5.438409      0.948477      6.717854
  C      -3.944481      0.712055      6.893000
  N      -3.189406      1.924270      6.495835
  C      -1.804937      1.629092      6.057863
  C      -1.819833      1.051099      4.645940
  C      -3.253481      2.995260      7.520429
  C      -3.091256      4.359567      6.860613
  N      -3.910536      4.428327      5.652858
  H      -0.787948      1.075132      4.247276
  H      -2.112650     -0.019289      4.675695
  H      -1.264033      2.585375      6.038827
  H      -1.299904      0.955160      6.774213
  H      -3.401155      5.137269      7.584422
  H      -2.020165      4.551161      6.648660
  H      -4.248474      2.939138      7.982948
  H      -2.497283      2.828414      8.309370
  H      -5.939406     -0.033158      6.785175
  H      -5.842448      1.554577      7.555930
  H      -3.629352     -0.098427      6.220768
  H      -3.699277      0.415404      7.929510
  C      -2.381551      1.831366      2.393440
  C      -2.717007      0.520741      1.649940
  C      -4.189087      0.319349      1.416384
  N      -4.779196      1.195619      0.608328
  C      -6.084751      0.986976      0.295418
  N      -6.843103     -0.032840      0.643691
  C      -6.268553     -0.939958      1.488382
  C      -7.026323     -2.060816      1.907083
  C      -6.490754     -2.965493      2.799527
  C      -5.183960     -2.782181      3.310601
  C      -4.413864     -1.713457      2.896535
  C      -4.926454     -0.777840      1.962685
  C      -4.279742      5.778067      5.262407
  C      -3.120588      6.617939      4.669664
  C      -2.698470      6.127460      3.314226
  N      -3.540423      6.395311      2.320461
  C      -3.211635      5.957777      1.080612
  N      -2.112360      5.324683      0.712861
  C      -1.219686      5.053434      1.711255
  C      -0.012406      4.383468      1.388709
  C       0.893286      4.068675      2.380260
  C       0.630827      4.410292      3.727467
  C      -0.529162      5.077626      4.066294
  C      -1.480372      5.417084      3.071541
  C      -7.099888      1.552273      5.020524
  C      -7.597608      0.125840      4.750051
  C      -8.876039      0.047597      3.960759
  N      -9.199366      1.081248      3.195578
  C     -10.324826      0.982590      2.441361
  N     -11.165884     -0.030347      2.373334
  C     -10.860392     -1.109991      3.155982
  C     -11.715467     -2.240032      3.129741
  C     -11.425033     -3.348555      3.897881
  C     -10.272811     -3.371014      4.717787
  C      -9.426306     -2.281707      4.764573
  C      -9.698378     -1.126264      3.989635
  H      -2.913473      2.648684      1.891604
  H      -1.299097      2.021014      2.266578
  H      -2.271110     -0.338011      2.167402
  H      -2.243848      0.583103      0.656667
  H      -6.542024      1.748799     -0.343842
  H      -8.040877     -2.166765      1.520804
  H      -7.081659     -3.820695      3.131032
  H      -4.781426     -3.496845      4.030393
  H      -3.407191     -1.587017      3.295905
  H      -5.076996      5.724332      4.509787
  H      -4.674942      6.329352      6.138798
  H      -3.493342      7.645839      4.543658
  H      -2.277161      6.656297      5.371572
  H      -3.946692      6.169469      0.297397
  H       0.164376      4.124134      0.343778
  H       1.820310      3.550678      2.127526
  H       1.357734      4.154028      4.500194
  H      -0.712969      5.346320      5.106171
  H      -7.752118      2.021966      5.784774
  H      -7.209215      2.143406      4.105908
  H      -6.818940     -0.404310      4.173126
  H      -7.713317     -0.436408      5.686680
  H     -10.547422      1.854830      1.818315
  H     -12.596098     -2.197317      2.487241
  H     -12.088929     -4.214762      3.874963
  H     -10.056091     -4.254749      5.320348
  H      -8.538965     -2.315489      5.396626
  N      -5.101826      3.359650      3.214992
  N      -5.740838      3.802883      2.247395
  H      -5.301589      3.534456      1.346427
89
Coordinates from ORCA-job orca E -6140.654297562432
  N      -2.700119      1.843950      3.789893
  Mo     -4.259536      2.725982      4.657842
  N      -5.691375      1.579856      5.410334
  C      -5.427235      0.932824      6.695851
  C      -3.932894      0.702561      6.872964
  N      -3.182993      1.918966      6.480121
  C      -1.796584      1.632663      6.042604
  C      -1.807173      1.056158      4.630247
  C      -3.254418      2.988408      7.505621
  C      -3.098028      4.354650      6.848558
  N      -3.915403      4.422754      5.638946
  H      -0.775035      1.086074      4.232396
  H      -2.094652     -0.015577      4.658295
  H      -1.261677      2.592309      6.024766
  H      -1.287609      0.961252      6.758521
  H      -3.413079      5.128528      7.574262
  H      -2.027957      4.552426      6.637972
  H      -4.250063      2.927086      7.966105
  H      -2.499234      2.824161      8.296031
  H      -5.924338     -0.051060      6.763132
  H      -5.835615      1.538122      7.532504
  H      -3.613906     -0.104771      6.198690
  H      -3.688487      0.403084      7.908804
  C      -2.375628      1.826099      2.376069
  C      -2.718183      0.511048      1.643233
  C      -4.192541      0.311745      1.424926
  N      -4.787484      1.187084      0.619375
  C      -6.097596      0.984932      0.323778
  N      -6.856130     -0.031701      0.682248
  C      -6.275129     -0.939782      1.521575
  C      -7.030023     -2.059773      1.947479
  C      -6.488161     -2.964879      2.835855
  C      -5.176681     -2.782993      3.335309
  C      -4.408489     -1.716246      2.912515
  C      -4.928069     -0.780516      1.982635
  C      -4.287575      5.771978      5.249057
  C      -3.127912      6.617139      4.664397
  C      -2.696345      6.128258      3.311166
  N      -3.533635      6.391726      2.312601
  C      -3.196585      5.953309      1.075166
  N      -2.093192      5.323283      0.714244
  C      -1.205159      5.056448      1.717978
  C       0.005834      4.389495      1.403405
  C       0.907376      4.079453      2.400393
  C       0.636709      4.423752      3.745163
  C      -0.527307      5.088092      4.076199
  C      -1.474417      5.422008      3.076183
  C      -7.094004      1.557189      5.010519
  C      -7.634977      0.139308      4.791829
  C      -8.908219      0.066978      3.993683
  N      -9.243763      1.112205      3.250975
  C     -10.364123      1.012769      2.488354
  N     -11.185953     -0.012772      2.389287
  C     -10.869288     -1.104184      3.151311
  C     -11.705114     -2.247317      3.094539
  C     -11.404037     -3.364954      3.845143
  C     -10.261187     -3.384037      4.678225
  C      -9.432513     -2.282580      4.753302
  C      -9.714893     -1.118805      3.994729
  H      -2.907071      2.642339      1.872078
  H      -1.293084      2.012258      2.244296
  H      -2.266694     -0.343437      2.162795
  H      -2.253940      0.566692      0.645201
  H      -6.559898      1.748489     -0.309686
  H      -8.047157     -2.165118      1.567843
  H      -7.079432     -3.818416      3.171090
  H      -4.768332     -3.497038      4.052447
  H      -3.397706     -1.592364      3.302070
  H      -5.080865      5.716614      4.492496
  H      -4.688773      6.319460      6.125054
  H      -3.504065      7.643648      4.537002
  H      -2.288936      6.658545      5.371250
  H      -3.927986      6.161074      0.287489
  H       0.189729      4.129028      0.359985
  H       1.837028      3.563290      2.153742
  H       1.360434      4.172008      4.522372
  H      -0.716783      5.359158      5.114473
  H      -7.727208      2.070402      5.762830
  H      -7.194738      2.122866      4.078841
  H      -6.870672     -0.444846      4.248589
  H      -7.782010     -0.378524      5.750324
  H     -10.598333      1.896933      1.886706
  H     -12.580694     -2.207414      2.445000
  H     -12.051797     -4.242379      3.799161
  H     -10.037742     -4.274842      5.267756
  H      -8.553192     -2.310186      5.396723
  N      -5.098647      3.353182      3.201385
  N      -5.741335      3.797810      2.236483
  H      -5.293171      3.549095      1.334373
89
Coordinates from ORCA-job orca E -6140.654432674666
  N      -2.680485      1.842819      3.759066
  Mo     -4.247165      2.711832      4.626405
  N      -5.674958      1.550707      5.367941
  C      -5.410089      0.899671      6.651057
  C      -3.914825      0.678226      6.829808
  N      -3.172765      1.902403      6.448952
  C      -1.782267      1.632509      6.014511
  C      -1.782173      1.061363      4.600699
  C      -3.258556      2.965906      7.478693
  C      -3.111696      4.337031      6.830522
  N      -3.924134      4.407142      5.617303
  H      -0.749008      1.105069      4.206500
  H      -2.057265     -0.013474      4.623219
  H      -1.257811      2.597923      6.001707
  H      -1.267935      0.964218      6.729553
  H      -3.436916      5.102100      7.561114
  H      -2.043005      4.545871      6.624592
  H      -4.255556      2.893742      7.934685
  H      -2.505723      2.804696      8.271963
  H      -5.901608     -0.087811      6.711710
  H      -5.825769      1.498723      7.488907
  H      -3.590340     -0.120897      6.148320
  H      -3.671160      0.369672      7.863119
  C      -2.358348      1.813517      2.344097
  C      -2.708706      0.492951      1.623955
  C      -4.184524      0.298172      1.416752
  N      -4.780097      1.168881      0.606713
  C      -6.094475      0.975815      0.327277
  N      -6.856776     -0.033387      0.700771
  C      -6.273458     -0.939247      1.541050
  C      -7.030253     -2.052118      1.982701
  C      -6.486075     -2.952508      2.874838
  C      -5.169924     -2.773810      3.362146
  C      -4.399325     -1.715286      2.923407
  C      -4.921808     -0.784504      1.990095
  C      -4.307269      5.756001      5.237518
  C      -3.151100      6.619090      4.670887
  C      -2.700263      6.139389      3.320987
  N      -3.531044      6.392150      2.314706
  C      -3.179166      5.952501      1.081541
  N      -2.069396      5.327199      0.732767
  C      -1.187560      5.071739      1.744971
  C       0.029757      4.411122      1.443722
  C       0.927847      4.115795      2.448537
  C       0.646829      4.470751      3.788295
  C      -0.524958      5.127788      4.106259
  C      -1.469317      5.444726      3.098606
  C      -7.082726      1.554575      4.985036
  C      -7.672322      0.148567      4.829197
  C      -8.940995      0.081281      4.023661
  N      -9.279484      1.130292      3.288601
  C     -10.395355      1.028568      2.518234
  N     -11.204784     -0.004103      2.400803
  C     -10.887889     -1.097737      3.159754
  C     -11.713835     -2.247027      3.088159
  C     -11.415138     -3.363130      3.841740
  C     -10.285791     -3.374856      4.693613
  C      -9.464927     -2.268295      4.780461
  C      -9.743982     -1.107519      4.016427
  H      -2.887060      2.628951      1.835801
  H      -1.275227      1.994230      2.209286
  H      -2.253977     -0.356718      2.148117
  H      -2.251049      0.538273      0.622088
  H      -6.559443      1.739596     -0.303759
  H      -8.050005     -2.155649      1.609753
  H      -7.082037     -3.799447      3.218638
  H      -4.759341     -3.482993      4.082860
  H      -3.384423     -1.594257      3.302745
  H      -5.093454      5.699431      4.473738
  H      -4.722013      6.290034      6.115406
  H      -3.539209      7.641134      4.543780
  H      -2.321237      6.667593      5.387579
  H      -3.904394      6.152173      0.286194
  H       0.222831      4.144437      0.403594
  H       1.862361      3.603915      2.211716
  H       1.368043      4.232725      4.572132
  H      -0.721480      5.408041      5.140815
  H      -7.689815      2.116235      5.724161
  H      -7.178256      2.089145      4.034424
  H      -6.928126     -0.494439      4.326487
  H      -7.850293     -0.314068      5.811842
  H     -10.634679      1.917552      1.925873
  H     -12.580917     -2.213959      2.426972
  H     -12.053168     -4.247000      3.785319
  H     -10.065690     -4.265069      5.285249
  H      -8.594801     -2.286933      5.436817
  N      -5.088564      3.337614      3.171756
  N      -5.729491      3.781269      2.204947
  H      -5.272114      3.543888      1.304507
89
Coordinates from ORCA-job orca E -6140.654504257863
  N      -2.670999      1.840117      3.746730
  Mo     -4.241990      2.704044      4.612455
  N      -5.671107      1.539370      5.348032
  C      -5.407618      0.883750      6.628552
  C      -3.911857      0.664504      6.808852
  N      -3.171025      1.891614      6.435189
  C      -1.778282      1.626670      6.004466
  C      -1.772402      1.059713      4.589519
  C      -3.262530      2.951850      7.467450
  C      -3.115590      4.324841      6.823181
  N      -3.924858      4.396338      5.608086
  H      -0.738213      1.107663      4.198558
  H      -2.043999     -0.016005      4.608822
  H      -1.256111      2.593325      5.996514
  H      -1.264839      0.957394      6.719213
  H      -3.443436      5.087853      7.554703
  H      -2.046489      4.535173      6.620171
  H      -4.260907      2.876774      7.920023
  H      -2.512095      2.790153      8.262957
  H      -5.897485     -0.104783      6.683900
  H      -5.825953      1.478282      7.468694
  H      -3.584727     -0.130865      6.124257
  H      -3.669894      0.351560      7.841240
  C      -2.349671      1.806102      2.331692
  C      -2.705594      0.485675      1.614138
  C      -4.183929      0.291100      1.425675
  N      -4.787281      1.154401      0.613982
  C      -6.106908      0.965714      0.357809
  N      -6.867765     -0.036237      0.753208
  C      -6.275028     -0.937988      1.591394
  C      -7.028888     -2.045628      2.051782
  C      -6.473968     -2.941389      2.942084
  C      -5.151050     -2.762774      3.409908
  C      -4.383811     -1.709363      2.953007
  C      -4.916541     -0.784571      2.019555
  C      -4.311237      5.744383      5.230588
  C      -3.157209      6.612018      4.667291
  C      -2.703836      6.134476      3.318258
  N      -3.535803      6.382293      2.311767
  C      -3.181397      5.943163      1.079122
  N      -2.069163      5.322134      0.730955
  C      -1.186557      5.070433      1.743850
  C       0.033288      4.414377      1.443723
  C       0.933225      4.125018      2.448647
  C       0.651021      4.481193      3.787892
  C      -0.524087      5.132654      4.104720
  C      -1.469940      5.444634      3.096666
  C      -7.081192      1.567339      4.973156
  C      -7.712593      0.175787      4.872612
  C      -8.974708      0.111624      4.055131
  N      -9.326619      1.171275      3.342868
  C     -10.434940      1.067729      2.560990
  N     -11.225077      0.024232      2.414324
  C     -10.893392     -1.081440      3.149636
  C     -11.696034     -2.244416      3.043672
  C     -11.379010     -3.373546      3.769972
  C     -10.254506     -3.384657      4.628384
  C      -9.457194     -2.264142      4.749413
  C      -9.756024     -1.090482      4.014142
  H      -2.877526      2.621782      1.822619
  H      -1.266245      1.983721      2.195584
  H      -2.244247     -0.364536      2.131395
  H      -2.260277      0.532084      0.606834
  H      -6.579082      1.725737     -0.272268
  H      -8.054690     -2.148202      1.695618
  H      -7.067432     -3.784222      3.300250
  H      -4.732469     -3.468045      4.129890
  H      -3.363010     -1.588275      3.315745
  H      -5.095393      5.687087      4.464684
  H      -4.730398      6.275786      6.107893
  H      -3.549292      7.632605      4.540212
  H      -2.329021      6.663545      5.385656
  H      -3.906813      6.140103      0.283169
  H       0.226184      4.145432      0.404141
  H       1.869630      3.616319      2.212534
  H       1.373099      4.247470      4.572200
  H      -0.722609      5.412105      5.139157
  H      -7.666650      2.171938      5.695784
  H      -7.168872      2.070885      4.005156
  H      -6.985301     -0.516790      4.411414
  H      -7.920356     -0.238596      5.871621
  H     -10.685415      1.965873      1.987399
  H     -12.558472     -2.212585      2.376400
  H     -11.997847     -4.268668      3.685891
  H     -10.018659     -4.286264      5.196229
  H      -8.587445     -2.283180      5.406578
  N      -5.086679      3.331358      3.160576
  N      -5.732733      3.774496      2.196754
  H      -5.271026      3.553066      1.294774
89
Coordinates from ORCA-job orca E -6140.654406857962
  N      -2.655960      1.839890      3.693900
  Mo     -4.228886      2.701910      4.565630
  N      -5.661258      1.535235      5.299284
  C      -5.391850      0.849742      6.561503
  C      -3.893326      0.635460      6.730599
  N      -3.160850      1.873946      6.381558
  C      -1.762979      1.629978      5.955531
  C      -1.742450      1.074929      4.537379
  C      -3.269498      2.918592      7.426732
  C      -3.128703      4.300697      6.801443
  N      -3.931036      4.382423      5.582713
  H      -0.708176      1.148809      4.150777
  H      -1.989794     -0.006664      4.547336
  H      -1.252664      2.602925      5.959385
  H      -1.244861      0.960758      6.667047
  H      -3.466163      5.051607      7.540960
  H      -2.059657      4.519387      6.607142
  H      -4.269627      2.828795      7.872583
  H      -2.522537      2.754543      8.225345
  H      -5.877466     -0.141831      6.590948
  H      -5.811905      1.419866      7.418183
  H      -3.565635     -0.141402      6.025378
  H      -3.645094      0.300255      7.754563
  C      -2.339667      1.786347      2.278088
  C      -2.692895      0.457735      1.574530
  C      -4.171092      0.256075      1.393566
  N      -4.778550      1.102638      0.568068
  C      -6.099396      0.910471      0.321966
  N      -6.860622     -0.078552      0.747538
  C      -6.265903     -0.961893      1.603302
  C      -7.027332     -2.045775      2.108041
  C      -6.470187     -2.918702      3.019400
  C      -5.139087     -2.743696      3.462499
  C      -4.365959     -1.712752      2.965693
  C      -4.901406     -0.808974      2.013057
  C      -4.338099      5.730159      5.231337
  C      -3.194600      6.630049      4.696350
  C      -2.711722      6.166786      3.354790
  N      -3.530760      6.403716      2.335364
  C      -3.157204      5.955355      1.111363
  N      -2.044651      5.324500      0.785514
  C      -1.173809      5.085300      1.812197
  C       0.045769      4.420710      1.535407
  C       0.939650      4.152877      2.551641
  C       0.651044      4.542161      3.880404
  C      -0.527328      5.198045      4.174573
  C      -1.469351      5.484843      3.154593
  C      -7.074885      1.571823      4.937096
  C      -7.696256      0.174687      4.822789
  C      -8.977913      0.116668      4.036445
  N      -9.331373      1.175340      3.322093
  C     -10.459800      1.078668      2.567616
  N     -11.266040      0.043391      2.450423
  C     -10.931752     -1.058491      3.189655
  C     -11.748484     -2.213845      3.111686
  C     -11.427686     -3.339246      3.842140
  C     -10.285573     -3.353428      4.677481
  C      -9.474407     -2.240510      4.770229
  C      -9.777238     -1.071924      4.030242
  H      -2.871877      2.594496      1.760757
  H      -1.257306      1.966146      2.138568
  H      -2.226201     -0.387679      2.094267
  H      -2.253318      0.495382      0.564409
  H      -6.575055      1.655160     -0.323406
  H      -8.060755     -2.144271      1.773640
  H      -7.070090     -3.741655      3.412473
  H      -4.719638     -3.432881      4.197467
  H      -3.339017     -1.590155      3.309343
  H      -5.112187      5.675939      4.454680
  H      -4.779248      6.236405      6.112655
  H      -3.609954      7.641152      4.568118
  H      -2.381934      6.695325      5.430996
  H      -3.867199      6.151927      0.301712
  H       0.242932      4.127880      0.503174
  H       1.876663      3.637782      2.332474
  H       1.369064      4.329675      4.674323
  H      -0.731458      5.502632      5.200883
  H      -7.648825      2.160524      5.681363
  H      -7.180014      2.088893      3.977449
  H      -6.972234     -0.495176      4.325423
  H      -7.870758     -0.267607      5.816340
  H     -10.714023      1.972836      1.990015
  H     -12.622040     -2.181649      2.459093
  H     -12.055034     -4.229793      3.779065
  H     -10.045950     -4.253577      5.246056
  H      -8.584955     -2.264513      5.400926
  N      -5.075130      3.322114      3.111264
  N      -5.704953      3.754572      2.132513
  H      -5.249443      3.492196      1.238333
89
Coordinates from ORCA-job orca E -6140.654570490044
  N      -2.655777      1.846054      3.707936
  Mo     -4.232250      2.704950      4.573692
  N      -5.664588      1.535148      5.299908
  C      -5.400445      0.858969      6.568725
  C      -3.903058      0.645017      6.746479
  N      -3.168122      1.881423      6.394282
  C      -1.770058      1.633289      5.971077
  C      -1.747707      1.077207      4.552488
  C      -3.276370      2.928607      7.437487
  C      -3.133121      4.309077      6.809154
  N      -3.933561      4.387740      5.588798
  H      -0.712283      1.146627      4.168046
  H      -1.999463     -0.003516      4.562391
  H      -1.257395      2.605020      5.975035
  H      -1.254823      0.963436      6.684054
  H      -3.471482      5.062783      7.545397
  H      -2.063582      4.527012      6.617079
  H      -4.277573      2.841008      7.881304
  H      -2.531080      2.764686      8.237598
  H      -5.884898     -0.132877      6.604197
  H      -5.823459      1.435178      7.419678
  H      -3.571360     -0.136359      6.048146
  H      -3.660053      0.316157      7.773747
  C      -2.337394      1.799281      2.292677
  C      -2.692650      0.473960      1.585296
  C      -4.171646      0.270859      1.408930
  N      -4.786111      1.124938      0.596360
  C      -6.106309      0.925966      0.349729
  N      -6.859617     -0.074429      0.762312
  C      -6.256157     -0.966363      1.603106
  C      -7.003246     -2.071576      2.080685
  C      -6.435655     -2.959451      2.970858
  C      -5.107414     -2.776565      3.420347
  C      -4.347611     -1.724896      2.947558
  C      -4.893281     -0.806699      2.014879
  C      -4.330938      5.736977      5.228707
  C      -3.181179      6.625834      4.688238
  C      -2.704110      6.159368      3.344471
  N      -3.522512      6.406862      2.326710
  C      -3.153717      5.962486      1.099985
  N      -2.044654      5.327186      0.769896
  C      -1.173716      5.079287      1.793989
  C       0.043492      4.411823      1.511586
  C       0.935513      4.132108      2.526119
  C       0.647619      4.510642      3.858142
  C      -0.527056      5.170882      4.157862
  C      -1.466733      5.470227      3.139717
  C      -7.077143      1.574524      4.931621
  C      -7.722287      0.186514      4.852893
  C      -8.994515      0.125975      4.051169
  N      -9.354217      1.186096      3.342800
  C     -10.477955      1.083368      2.581930
  N     -11.273907      0.041702      2.452602
  C     -10.934015     -1.062262      3.186347
  C     -11.743044     -2.222621      3.101193
  C     -11.419967     -3.347431      3.831895
  C     -10.282638     -3.356396      4.673558
  C      -9.478225     -2.238971      4.772498
  C      -9.782797     -1.070913      4.031543
  H      -2.867983      2.610096      1.778049
  H      -1.254740      1.977746      2.154025
  H      -2.224682     -0.372794      2.102102
  H      -2.255085      0.516132      0.574517
  H      -6.587267      1.675498     -0.286239
  H      -8.033319     -2.178848      1.738893
  H      -7.022460     -3.802044      3.340679
  H      -4.678542     -3.478016      4.138025
  H      -3.321802     -1.599807      3.294087
  H      -5.106449      5.683616      4.453507
  H      -4.766353      6.251127      6.108361
  H      -3.586954      7.640845      4.560694
  H      -2.365056      6.684182      5.419848
  H      -3.864981      6.165428      0.292984
  H       0.240665      4.127702      0.476913
  H       1.870979      3.615794      2.303035
  H       1.364544      4.287739      4.650228
  H      -0.729468      5.468901      5.186384
  H      -7.648737      2.192964      5.653321
  H      -7.168667      2.067500      3.958185
  H      -7.005382     -0.517101      4.391840
  H      -7.924257     -0.216663      5.857799
  H     -10.737082      1.979090      2.008820
  H     -12.614937     -2.192708      2.446246
  H     -12.044135     -4.240250      3.765461
  H     -10.043144     -4.254421      5.245583
  H      -8.597023     -2.256553      5.414337
  N      -5.072784      3.332109      3.119096
  N      -5.706090      3.772903      2.146099
  H      -5.245387      3.527398      1.249684
89
Coordinates from ORCA-job orca E -6140.654591381071
  N      -2.658029      1.846467      3.709939
  Mo     -4.233504      2.703513      4.580169
  N      -5.659997      1.534602      5.316188
  C      -5.388164      0.865023      6.587523
  C      -3.890212      0.652577      6.759636
  N      -3.158376      1.888355      6.398160
  C      -1.762477      1.639002      5.968726
  C      -1.747295      1.078454      4.551304
  C      -3.261887      2.938769      7.439249
  C      -3.125360      4.317717      6.805683
  N      -3.932934      4.389887      5.589499
  H      -0.713765      1.144753      4.161278
  H      -2.001038     -0.001925      4.565837
  H      -1.249909      2.610855      5.967083
  H      -1.243679      0.971303      6.681116
  H      -3.461336      5.073443      7.540956
  H      -2.057597      4.537982      6.607132
  H      -4.260433      2.850751      7.888839
  H      -2.511651      2.778110      8.235283
  H      -5.870896     -0.127308      6.631984
  H      -5.806396      1.445408      7.437725
  H      -3.560712     -0.132186      6.064186
  H      -3.642124      0.329687      7.787559
  C      -2.346976      1.797954      2.293111
  C      -2.700568      0.469634      1.590412
  C      -4.178899      0.265095      1.408802
  N      -4.789746      1.116118      0.590029
  C      -6.108548      0.915101      0.337468
  N      -6.863293     -0.084039      0.750238
  C      -6.263220     -0.972131      1.597666
  C      -7.011283     -2.076286      2.075172
  C      -6.448462     -2.959166      2.973215
  C      -5.123398     -2.771126      3.431104
  C      -4.362440     -1.720668      2.957740
  C      -4.903341     -0.808292      2.016892
  C      -4.335308      5.736293      5.223581
  C      -3.189755      6.625519      4.676216
  C      -2.710509      6.151456      3.335332
  N      -3.528163      6.390183      2.314759
  C      -3.155085      5.941178      1.091168
  N      -2.040740      5.311698      0.766121
  C      -1.171077      5.072547      1.793267
  C       0.050567      4.409092      1.517500
  C       0.938962      4.135581      2.536859
  C       0.643962      4.516403      3.866568
  C      -0.534046      5.173426      4.159975
  C      -1.470329      5.466168      3.136904
  C      -7.073771      1.568438      4.951826
  C      -7.712757      0.179162      4.852297
  C      -8.988947      0.126123      4.056305
  N      -9.352740      1.195063      3.363505
  C     -10.480291      1.103300      2.608089
  N     -11.279005      0.064642      2.470884
  C     -10.934073     -1.050009      3.186008
  C     -11.744266     -2.208680      3.089560
  C     -11.415307     -3.345260      3.799096
  C     -10.270984     -3.368131      4.630627
  C      -9.465593     -2.252500      4.741270
  C      -9.775685     -1.071931      4.021874
  H      -2.881930      2.605670      1.778440
  H      -1.265272      1.978773      2.148114
  H      -2.235339     -0.375157      2.113533
  H      -2.258747      0.508087      0.581417
  H      -6.585686      1.661824     -0.304739
  H      -8.038972     -2.186871      1.727229
  H      -7.035605     -3.800543      3.344946
  H      -4.698175     -3.468021      4.155304
  H      -3.339368     -1.591898      3.311617
  H      -5.112898      5.676318      4.451044
  H      -4.768899      6.253639      6.102325
  H      -3.598441      7.638603      4.542921
  H      -2.372589      6.690666      5.406224
  H      -3.867336      6.133992      0.282462
  H       0.254292      4.123610      0.484361
  H       1.877749      3.622981      2.319230
  H       1.358557      4.298034      4.662020
  H      -0.742599      5.472563      5.186892
  H      -7.648454      2.173978      5.681854
  H      -7.168593      2.074514      3.985615
  H      -6.994139     -0.511624      4.374979
  H      -7.907234     -0.241630      5.851132
  H     -10.742081      2.007644      2.049546
  H     -12.622186     -2.167236      2.443326
  H     -12.040960     -4.236384      3.722968
  H     -10.027343     -4.274763      5.187121
  H      -8.581170     -2.280477      5.377899
  N      -5.078186      3.329480      3.127023
  N      -5.717987      3.769676      2.158015
  H      -5.272393      3.509848      1.258159
89
Coordinates from ORCA-job orca E -6140.654620351485
  N      -2.651072      1.847579      3.689921
  Mo     -4.228992      2.702085      4.559922
  N      -5.656732      1.531170      5.291517
  C      -5.385004      0.854204      6.558635
  C      -3.886675      0.643189      6.729996
  N      -3.156857      1.882581      6.377013
  C      -1.758876      1.639803      5.950698
  C      -1.737166      1.083568      4.531714
  C      -3.266967      2.927668      7.422650
  C      -3.132674      4.309870      6.795820
  N      -3.936380      4.384780      5.577229
  H      -0.703184      1.158053      4.144266
  H      -1.983435      0.001395      4.542566
  H      -1.249965      2.613567      5.953856
  H      -1.239472      0.971750      6.662320
  H      -3.473658      5.061438      7.533021
  H      -2.064958      4.534049      6.602006
  H      -4.266553      2.834375      7.868761
  H      -2.518679      2.765809      8.220293
  H      -5.866083     -0.139300      6.596369
  H      -5.804607      1.428346      7.412515
  H      -3.555564     -0.136194      6.029282
  H      -3.638490      0.313958      7.755913
  C      -2.343201      1.793002      2.272611
  C      -2.697300      0.461606      1.576310
  C      -4.176444      0.252705      1.405665
  N      -4.795662      1.100808      0.590172
  C      -6.116251      0.896917      0.349085
  N      -6.866212     -0.101628      0.771594
  C      -6.257598     -0.986847      1.615927
  C      -7.000842     -2.089795      2.103716
  C      -6.428983     -2.970122      2.998533
  C      -5.099590     -2.780569      3.443007
  C      -4.343738     -1.730879      2.959937
  C      -4.893922     -0.820859      2.022048
  C      -4.345097      5.731270      5.218295
  C      -3.202745      6.631646      4.681828
  C      -2.710323      6.162129      3.344346
  N      -3.520755      6.398574      2.317577
  C      -3.139257      5.946264      1.097788
  N      -2.024679      5.312346      0.782822
  C      -1.161517      5.076971      1.816269
  C       0.060076      4.409497      1.550949
  C       0.943306      4.141684      2.576279
  C       0.643391      4.533498      3.901694
  C      -0.535322      5.193676      4.185037
  C      -1.467417      5.478844      3.155886
  C      -7.071402      1.574505      4.931851
  C      -7.721354      0.189472      4.846861
  C      -9.003717      0.139422      4.060920
  N      -9.376523      1.212113      3.378521
  C     -10.511379      1.121679      2.633533
  N     -11.308175      0.081401      2.496850
  C     -10.953688     -1.036720      3.201780
  C     -11.761576     -2.197097      3.106394
  C     -11.423673     -3.336155      3.807799
  C     -10.272191     -3.360061      4.629412
  C      -9.468453     -2.243099      4.738048
  C      -9.787878     -1.060098      4.026954
  H      -2.879980      2.598067      1.755578
  H      -1.262011      1.974171      2.124576
  H      -2.226680     -0.380743      2.098384
  H      -2.262264      0.498390      0.564336
  H      -6.599831      1.640620     -0.291822
  H      -8.032005     -2.201675      1.766598
  H      -7.011922     -3.811010      3.378069
  H      -4.667119     -3.475652      4.164658
  H      -3.317317     -1.600750      3.303330
  H      -5.118620      5.671794      4.441649
  H      -4.786347      6.240162      6.098174
  H      -3.619095      7.641332      4.547007
  H      -2.391856      6.701976      5.418297
  H      -3.844636      6.139456      0.283230
  H       0.267932      4.116944      0.520655
  H       1.882294      3.626127      2.366578
  H       1.354677      4.321316      4.701781
  H      -0.747212      5.502187      5.208463
  H      -7.637689      2.191148      5.659100
  H      -7.165775      2.073628      3.961887
  H      -7.011103     -0.510534      4.370946
  H      -7.913043     -0.222197      5.850278
  H     -10.781514      2.028496      2.083077
  H     -12.645121     -2.154883      2.467922
  H     -12.047762     -4.228430      3.732846
  H     -10.021767     -4.268705      5.179601
  H      -8.578239     -2.271594      5.366624
  N      -5.071427      3.327568      3.105161
  N      -5.706734      3.766505      2.132705
  H      -5.260577      3.498933      1.235202
89
Coordinates from ORCA-job orca E -6140.654640288965
  N      -2.643628      1.851683      3.659136
  Mo     -4.223276      2.703192      4.532628
  N      -5.650386      1.531543      5.264783
  C      -5.374472      0.845578      6.525693
  C      -3.875090      0.636502      6.691310
  N      -3.149480      1.880683      6.346107
  C      -1.749822      1.646787      5.920491
  C      -1.722505      1.095117      4.499761
  C      -3.265809      2.918882      7.397924
  C      -3.138694      4.305222      6.778863
  N      -3.940859      4.381488      5.559418
  H      -0.689083      1.181717      4.113065
  H      -1.957185      0.010302      4.507224
  H      -1.246028      2.623207      5.928071
  H      -1.227666      0.978946      6.630284
  H      -3.485209      5.051386      7.518905
  H      -2.072004      4.535955      6.588016
  H      -4.264991      2.817619      7.843050
  H      -2.516955      2.756322      8.194862
  H      -5.852998     -0.149462      6.557158
  H      -5.792852      1.411864      7.385505
  H      -3.543923     -0.136335      5.983433
  H      -3.623347      0.300162      7.714071
  C      -2.344982      1.785834      2.240193
  C      -2.699532      0.448849      1.555026
  C      -4.179133      0.231652      1.398794
  N      -4.811216      1.074628      0.587856
  C      -6.133387      0.863546      0.361286
  N      -6.874248     -0.136612      0.795455
  C      -6.252101     -1.017269      1.634882
  C      -6.985769     -2.121279      2.134632
  C      -6.399779     -2.997463      3.024336
  C      -5.065586     -2.802446      3.451773
  C      -4.319601     -1.751053      2.957436
  C      -4.884369     -0.844859      2.024330
  C      -4.362446      5.726282      5.209003
  C      -3.227790      6.643805      4.684509
  C      -2.713585      6.174308      3.355502
  N      -3.512232      6.399356      2.317150
  C      -3.115861      5.934811      1.106672
  N      -1.999273      5.294830      0.812174
  C      -1.147001      5.073001      1.857508
  C       0.076321      4.400572      1.613970
  C       0.950370      4.149100      2.651221
  C       0.640008      4.564456      3.967002
  C      -0.541172      5.228887      4.229156
  C      -1.465660      5.494671      3.187914
  C      -7.066606      1.582669      4.912417
  C      -7.724222      0.201093      4.834702
  C      -9.018667      0.158995      4.068891
  N      -9.404602      1.240683      3.407817
  C     -10.552683      1.158364      2.682291
  N     -11.350272      0.118580      2.545372
  C     -10.981942     -1.008425      3.228583
  C     -11.789829     -2.168743      3.132273
  C     -11.438711     -3.315991      3.813570
  C     -10.273708     -3.348322      4.615616
  C      -9.469628     -2.231691      4.724553
  C      -9.802155     -1.040626      4.033280
  H      -2.886539      2.585673      1.720032
  H      -1.265117      1.968118      2.084012
  H      -2.221256     -0.389277      2.076727
  H      -2.273697      0.482244      0.539000
  H      -6.627184      1.603123     -0.276602
  H      -8.021011     -2.237481      1.811791
  H      -6.973975     -3.840070      3.413431
  H      -4.621983     -3.494622      4.169444
  H      -3.289520     -1.616267      3.287698
  H      -5.131283      5.664232      4.427957
  H      -4.814228      6.223630      6.090175
  H      -3.658439      7.646172      4.541264
  H      -2.426965      6.728397      5.430479
  H      -3.810741      6.120893      0.281578
  H       0.292878      4.092140      0.590140
  H       1.890839      3.629670      2.458310
  H       1.345285      4.367599      4.776285
  H      -0.760446      5.557337      5.244727
  H      -7.624709      2.205043      5.641021
  H      -7.162904      2.079880      3.941424
  H      -7.024162     -0.501061      4.347659
  H      -7.903374     -0.211470      5.840330
  H     -10.834226      2.071660      2.148495
  H     -12.683970     -2.119668      2.509224
  H     -12.063031     -4.207964      3.737382
  H     -10.012881     -4.263422      5.150069
  H      -8.568787     -2.266896      5.337515
  N      -5.067007      3.324774      3.076453
  N      -5.698607      3.759049      2.099581
  H      -5.260518      3.468493      1.204967
89
Coordinates from ORCA-job orca E -6140.654651951693
  N      -2.638058      1.852221      3.656908
  Mo     -4.220203      2.702866      4.526803
  N      -5.649777      1.531007      5.252934
  C      -5.377293      0.843353      6.513665
  C      -3.878581      0.633412      6.683140
  N      -3.151781      1.878194      6.342093
  C      -1.750852      1.644802      5.920632
  C      -1.718601      1.095563      4.498848
  C      -3.270825      2.914188      7.395969
  C      -3.143340      4.301835      6.779870
  N      -3.941883      4.379349      5.558205
  H      -0.684088      1.184392      4.115418
  H      -1.951632      0.010386      4.503819
  H      -1.246773      2.621044      5.931865
  H      -1.231172      0.975489      6.630858
  H      -3.493075      5.046440      7.519969
  H      -2.076397      4.534128      6.592821
  H      -4.270863      2.811507      7.838801
  H      -2.523517      2.749940      8.193940
  H      -5.855905     -0.151716      6.543172
  H      -5.797544      1.408745      7.373123
  H      -3.545442     -0.138386      5.975034
  H      -3.629884      0.295481      7.706111
  C      -2.339612      1.784857      2.238051
  C      -2.693096      0.446156      1.555886
  C      -4.172748      0.225003      1.405881
  N      -4.811164      1.066066      0.597862
  C      -6.133919      0.850970      0.377960
  N      -6.869495     -0.151694      0.815298
  C      -6.240528     -1.030483      1.651751
  C      -6.968230     -2.136719      2.155003
  C      -6.375762     -3.010236      3.043034
  C      -5.040461     -2.810283      3.464940
  C      -4.300183     -1.756747      2.966693
  C      -4.871836     -0.853128      2.035211
  C      -4.364273      5.724304      5.208872
  C      -3.230250      6.644069      4.686224
  C      -2.715241      6.178440      3.355793
  N      -3.511566      6.410197      2.317144
  C      -3.115090      5.948970      1.105388
  N      -2.000318      5.306221      0.810022
  C      -1.149939      5.078372      1.855415
  C       0.071819      4.403294      1.610785
  C       0.944105      4.145969      2.648050
  C       0.633818      4.558419      3.964717
  C      -0.545624      5.225526      4.227909
  C      -1.468848      5.496279      3.187006
  C      -7.065476      1.586483      4.898971
  C      -7.729059      0.207969      4.824925
  C      -9.030066      0.170620      4.070081
  N      -9.425872      1.257894      3.424080
  C     -10.580273      1.178882      2.708149
  N     -11.375560      0.137917      2.567504
  C     -10.997377     -0.994825      3.235594
  C     -11.802761     -2.156516      3.135160
  C     -11.442317     -3.309344      3.801978
  C     -10.270116     -3.346053      4.593168
  C      -9.468137     -2.228209      4.705660
  C      -9.809987     -1.031384      4.028854
  H      -2.881918      2.583334      1.716664
  H      -1.259955      1.967636      2.080814
  H      -2.210850     -0.390032      2.076990
  H      -2.271029      0.479476      0.538239
  H      -6.632874      1.589488     -0.257127
  H      -8.004316     -2.257047      1.836416
  H      -6.944715     -3.854942      3.435215
  H      -4.591618     -3.500316      4.181396
  H      -3.269328     -1.618465      3.293044
  H      -5.132914      5.662483      4.427689
  H      -4.816665      6.219909      6.090757
  H      -3.662266      7.646032      4.544762
  H      -2.429477      6.728337      5.432441
  H      -3.807781      6.141392      0.279962
  H       0.288778      4.098321      0.586002
  H       1.883346      3.624561      2.454474
  H       1.338122      4.357504      4.773861
  H      -0.764228      5.552807      5.243943
  H      -7.622307      2.213689      5.624450
  H      -7.158088      2.081841      3.926671
  H      -7.035738     -0.497506      4.333037
  H      -7.903128     -0.203700      5.831877
  H     -10.870308      2.096662      2.186786
  H     -12.702898     -2.103514      2.521132
  H     -12.065334     -4.201993      3.722637
  H     -10.001922     -4.265291      5.116760
  H      -8.562417     -2.266650      5.311136
  N      -5.059366      3.325528      3.068257
  N      -5.687952      3.760704      2.089626
  H      -5.252797      3.460743      1.196543
89
Coordinates from ORCA-job orca E -6140.654673306230
  N      -2.627310      1.853185      3.648105
  Mo     -4.215357      2.697794      4.514485
  N      -5.646523      1.523901      5.232682
  C      -5.375553      0.831149      6.490986
  C      -3.877095      0.622227      6.662974
  N      -3.151492      1.870149      6.330243
  C      -1.748181      1.641932      5.914278
  C      -1.707698      1.098118      4.490574
  C      -3.276291      2.900992      7.388754
  C      -3.152817      4.291813      6.778820
  N      -3.947377      4.370624      5.554932
  H      -0.672001      1.193520      4.111717
  H      -1.935214      0.011816      4.491021
  H      -1.246405      2.619282      5.931897
  H      -1.230176      0.970992      6.624189
  H      -3.508729      5.031822      7.520571
  H      -2.086352      4.529925      6.596310
  H      -4.276617      2.792903      7.829565
  H      -2.529561      2.735158      8.186814
  H      -5.852427     -0.164849      6.516016
  H      -5.798290      1.392440      7.351951
  H      -3.541135     -0.145277      5.951480
  H      -3.630516      0.279283      7.684747
  C      -2.330012      1.784677      2.229223
  C      -2.679069      0.443335      1.549325
  C      -4.158150      0.210414      1.415711
  N      -4.811659      1.041393      0.609228
  C      -6.135421      0.815814      0.406650
  N      -6.857681     -0.191248      0.856295
  C      -6.212171     -1.060975      1.689884
  C      -6.924407     -2.171512      2.205536
  C      -6.316539     -3.032704      3.095147
  C      -4.980112     -2.816385      3.505548
  C      -4.254173     -1.759500      2.993545
  C      -4.842088     -0.868459      2.059926
  C      -4.374360      5.714518      5.207579
  C      -3.244100      6.640019      4.686561
  C      -2.726588      6.178257      3.355490
  N      -3.521276      6.411828      2.316096
  C      -3.122694      5.953239      1.103961
  N      -2.007054      5.311654      0.808950
  C      -1.157770      5.082915      1.854949
  C       0.065699      4.410404      1.610834
  C       0.936966      4.152705      2.648868
  C       0.624025      4.562279      3.965739
  C      -0.556946      5.226819      4.228420
  C      -1.479327      5.497565      3.186994
  C      -7.062638      1.589450      4.880973
  C      -7.740707      0.218459      4.814130
  C      -9.051522      0.195655      4.076463
  N      -9.460332      1.297283      3.463911
  C     -10.625819      1.232751      2.764766
  N     -11.420647      0.193449      2.610850
  C     -11.029380     -0.954265      3.245116
  C     -11.834389     -2.114822      3.130102
  C     -11.462183     -3.282056      3.764553
  C     -10.278504     -3.334598      4.537482
  C      -9.476501     -2.218143      4.663502
  C      -9.829636     -1.006976      4.018647
  H      -2.875535      2.580514      1.707347
  H      -1.251157      1.970735      2.069583
  H      -2.184568     -0.389179      2.064724
  H      -2.268027      0.481501      0.527331
  H      -6.647502      1.548891     -0.224196
  H      -7.961559     -2.304763      1.895856
  H      -6.872948     -3.881135      3.497261
  H      -4.519146     -3.496583      4.223684
  H      -3.222185     -1.609293      3.310847
  H      -5.142909      5.650867      4.426517
  H      -4.828533      6.206596      6.090529
  H      -3.681513      7.639638      4.545464
  H      -2.443928      6.727946      5.433114
  H      -3.814370      6.146579      0.277904
  H       0.285385      4.108542      0.585678
  H       1.877312      3.633088      2.455861
  H       1.327656      4.361205      4.775433
  H      -0.777214      5.553037      5.244444
  H      -7.612900      2.225619      5.603596
  H      -7.151172      2.082612      3.907024
  H      -7.061618     -0.495835      4.315316
  H      -7.908409     -0.190817      5.823477
  H     -10.926797      2.162576      2.271581
  H     -12.744026     -2.048868      2.531536
  H     -12.085463     -4.173433      3.673737
  H     -10.000901     -4.264820      5.036163
  H      -8.562360     -2.268529      5.255248
  N      -5.051739      3.319965      3.053727
  N      -5.679218      3.752841      2.073086
  H      -5.249240      3.440859      1.181534
89
Coordinates from ORCA-job orca E -6140.654686837806
  N      -2.618982      1.852658      3.636122
  Mo     -4.212562      2.691065      4.500355
  N      -5.647135      1.517393      5.210076
  C      -5.377340      0.816223      6.464099
  C      -3.879244      0.605745      6.636282
  N      -3.153358      1.856433      6.314526
  C      -1.747792      1.632810      5.903857
  C      -1.699421      1.097101      4.477352
  C      -3.282455      2.880387      7.379489
  C      -3.162747      4.275406      6.778150
  N      -3.953892      4.358131      5.552764
  H      -0.662582      1.199201      4.103225
  H      -1.922070      0.009825      4.471321
  H      -1.247545      2.610778      5.929667
  H      -1.232152      0.958531      6.612325
  H      -3.524487      5.009150      7.523310
  H      -2.096824      4.519750      6.599992
  H      -4.282591      2.766834      7.819245
  H      -2.535433      2.711149      8.176439
  H      -5.853782     -0.180138      6.482719
  H      -5.801266      1.372085      7.328059
  H      -3.542867     -0.155640      5.918417
  H      -3.634035      0.254117      7.655372
  C      -2.322499      1.787352      2.217193
  C      -2.662696      0.444394      1.534695
  C      -4.140045      0.190293      1.429237
  N      -4.819321      1.003801      0.626049
  C      -6.143935      0.760422      0.452726
  N      -6.842953     -0.254070      0.922578
  C      -6.169822     -1.107386      1.751324
  C      -6.855862     -2.224057      2.288886
  C      -6.222611     -3.062879      3.182037
  C      -4.884828     -2.818976      3.572552
  C      -4.182732     -1.758198      3.035757
  C      -4.797838     -0.889562      2.098399
  C      -4.384970      5.701477      5.209262
  C      -3.258707      6.632051      4.688797
  C      -2.741585      6.175499      3.355732
  N      -3.536888      6.411356      2.317494
  C      -3.137722      5.957996      1.103553
  N      -2.019885      5.321391      0.805479
  C      -1.169632      5.090823      1.850330
  C       0.056634      4.424203      1.603545
  C       0.928172      4.163912      2.640780
  C       0.612406      4.564433      3.959719
  C      -0.571162      5.223254      4.224998
  C      -1.493246      5.497427      3.184415
  C      -7.063790      1.596256      4.861975
  C      -7.757811      0.234046      4.798959
  C      -9.080091      0.231301      4.082990
  N      -9.501509      1.350757      3.512930
  C     -10.679164      1.306038      2.833008
  N     -11.474150      0.270019      2.658981
  C     -11.069506     -0.896461      3.249373
  C     -11.873549     -2.055091      3.110684
  C     -11.488644     -3.240657      3.702178
  C     -10.293508     -3.313888      4.455434
  C      -9.491945     -2.199820      4.603332
  C      -9.857009     -0.970556      4.000804
  H      -2.873530      2.580561      1.697346
  H      -1.245006      1.980247      2.055501
  H      -2.145459     -0.383381      2.035296
  H      -2.271859      0.496625      0.505545
  H      -6.678476      1.483562     -0.170796
  H      -7.894397     -2.378758      1.994406
  H      -6.759137     -3.915778      3.601765
  H      -4.403859     -3.481338      4.294215
  H      -3.149169     -1.587520      3.337175
  H      -5.154759      5.637201      4.429529
  H      -4.838975      6.189735      6.094418
  H      -3.701324      7.629698      4.549818
  H      -2.457797      6.722560      5.434277
  H      -3.830865      6.151030      0.278646
  H       0.278859      4.128783      0.577030
  H       1.870272      3.648269      2.445749
  H       1.315796      4.360563      4.768931
  H      -0.793923      5.542706      5.242703
  H      -7.606004      2.239987      5.583827
  H      -7.148287      2.090153      3.887865
  H      -7.096110     -0.487384      4.288045
  H      -7.915343     -0.177251      5.809574
  H     -10.990642      2.250838      2.375935
  H     -12.792654     -1.972638      2.528871
  H     -12.111013     -4.130443      3.592401
  H     -10.005922     -4.258096      4.921067
  H      -8.569141     -2.265640      5.179944
  N      -5.047218      3.313214      3.038138
  N      -5.675185      3.741241      2.055535
  H      -5.250782      3.417850      1.165362
89
Coordinates from ORCA-job orca E -6140.654700622861
  N      -2.628862      1.851904      3.647937
  Mo     -4.218075      2.694642      4.515294
  N      -5.651458      1.523728      5.232343
  C      -5.379929      0.827110      6.488603
  C      -3.881544      0.615369      6.658192
  N      -3.154193      1.863121      6.328883
  C      -1.750679      1.634927      5.913282
  C      -1.709340      1.094836      4.488360
  C      -3.277214      2.891619      7.389989
  C      -3.155042      4.283855      6.783021
  N      -3.950863      4.365053      5.560568
  H      -0.673435      1.191213      4.110378
  H      -1.936845      0.008528      4.486195
  H      -1.248408      2.611977      5.933597
  H      -1.233644      0.961972      6.621998
  H      -3.511104      5.021326      7.527271
  H      -2.088928      4.523931      6.599648
  H      -4.276433      2.782669      7.833046
  H      -2.528391      2.723800      8.185626
  H      -5.858173     -0.168295      6.511597
  H      -5.801472      1.387066      7.351042
  H      -3.548204     -0.149896      5.943114
  H      -3.634356      0.267912      7.678250
  C      -2.329813      1.790616      2.229146
  C      -2.669125      0.450529      1.540242
  C      -4.146093      0.199014      1.423077
  N      -4.818985      1.017568      0.619730
  C      -6.142597      0.776641      0.436001
  N      -6.846563     -0.238386      0.897511
  C      -6.180431     -1.096184      1.726984
  C      -6.872538     -2.212561      2.257803
  C      -6.245720     -3.056806      3.150491
  C      -4.908668     -2.819307      3.546827
  C      -4.200902     -1.758741      3.017196
  C      -4.809575     -0.883765      2.081849
  C      -4.376739      5.709285      5.214066
  C      -3.247132      6.631907      4.687308
  C      -2.737342      6.170726      3.353313
  N      -3.537762      6.404276      2.318439
  C      -3.143689      5.949881      1.103290
  N      -2.025588      5.315998      0.800591
  C      -1.170744      5.086767      1.842111
  C       0.055439      4.422228      1.590373
  C       0.930954      4.161927      2.624294
  C       0.618890      4.559599      3.945048
  C      -0.564620      5.216646      4.215155
  C      -1.489761      5.492377      3.177551
  C      -7.067842      1.592497      4.881098
  C      -7.748534      0.223517      4.803744
  C      -9.064644      0.215158      4.076224
  N      -9.474348      1.328698      3.486173
  C     -10.645041      1.280778      2.794713
  N     -11.443445      0.246355      2.626659
  C     -11.050829     -0.913859      3.237089
  C     -11.858831     -2.070459      3.104591
  C     -11.485699     -3.250180      3.714941
  C     -10.298388     -3.319490      4.481017
  C      -9.493058     -2.207314      4.623147
  C      -9.846612     -0.983893      4.002271
  H      -2.879341      2.586285      1.711384
  H      -1.251890      1.983560      2.070874
  H      -2.156654     -0.379664      2.041917
  H      -2.271186      0.504853      0.514007
  H      -6.672052      1.502649     -0.188567
  H      -7.910417     -2.362163      1.958288
  H      -6.787747     -3.908754      3.564936
  H      -4.432593     -3.486268      4.267522
  H      -3.167836     -1.592821      3.322978
  H      -5.148990      5.646296      4.436595
  H      -4.825707      6.202998      6.098735
  H      -3.683828      7.632297      4.548582
  H      -2.443020      6.718548      5.429636
  H      -3.841506      6.139664      0.281565
  H       0.274009      4.127050      0.563031
  H       1.873078      3.647883      2.425205
  H       1.324721      4.354532      4.751822
  H      -0.785330      5.532306      5.234527
  H      -7.617835      2.223827      5.607968
  H      -7.155327      2.093376      3.910940
  H      -7.075813     -0.486644      4.291535
  H      -7.908017     -0.197080      5.809984
  H     -10.946398      2.220826      2.321416
  H     -12.771263     -1.991534      2.511879
  H     -12.110732     -4.138755      3.610068
  H     -10.020043     -4.259256      4.961027
  H      -8.575776     -2.270373      5.208882
  N      -5.056814      3.315554      3.055178
  N      -5.688030      3.742787      2.074600
  H      -5.259571      3.430098      1.182659
89
Coordinates from ORCA-job orca E -6140.654711838216
  N      -2.629987      1.853171      3.636045
  Mo     -4.218873      2.693168      4.506862
  N      -5.649591      1.518932      5.224374
  C      -5.374895      0.819803      6.478539
  C      -3.875638      0.610989      6.645078
  N      -3.151516      1.861109      6.318154
  C      -1.747765      1.638014      5.900563
  C      -1.706345      1.099185      4.475176
  C      -3.277165      2.887515      7.380851
  C      -3.157898      4.281010      6.776337
  N      -3.954443      4.362885      5.554198
  H      -0.671369      1.199562      4.095734
  H      -1.929843      0.012026      4.472583
  H      -1.249183      2.616942      5.920950
  H      -1.227258      0.966480      6.608092
  H      -3.515102      5.016447      7.522087
  H      -2.092352      4.523415      6.593215
  H      -4.276275      2.775465      7.823345
  H      -2.528256      2.720554      8.176660
  H      -5.851190     -0.176615      6.499429
  H      -5.796279      1.376775      7.343009
  H      -3.541953     -0.151426      5.927162
  H      -3.625981      0.261032      7.663718
  C      -2.333349      1.789957      2.216620
  C      -2.671016      0.447824      1.531117
  C      -4.147962      0.192377      1.419856
  N      -4.825639      1.008144      0.617764
  C      -6.149726      0.765113      0.440571
  N      -6.851310     -0.247680      0.910653
  C      -6.180551     -1.102243      1.739513
  C      -6.870205     -2.215746      2.279780
  C      -6.237750     -3.057711      3.170709
  C      -4.897253     -2.821042      3.555391
  C      -4.192354     -1.763071      3.016921
  C      -4.807010     -0.889770      2.084145
  C      -4.382225      5.707368      5.210522
  C      -3.253307      6.633432      4.688408
  C      -2.737004      6.172155      3.357154
  N      -3.534709      6.400812      2.319070
  C      -3.135898      5.943471      1.106637
  N      -2.015852      5.310353      0.809701
  C      -1.163535      5.086708      1.854570
  C       0.064119      4.422819      1.608923
  C       0.937171      4.168023      2.646324
  C       0.621323      4.571164      3.964535
  C      -0.563845      5.227673      4.228756
  C      -1.486824      5.497092      3.187475
  C      -7.067012      1.592006      4.878639
  C      -7.753000      0.225107      4.807094
  C      -9.069008      0.219398      4.079198
  N      -9.479550      1.335512      3.494441
  C     -10.651097      1.289860      2.804068
  N     -11.449070      0.255743      2.632096
  C     -11.055717     -0.906782      3.237667
  C     -11.863844     -2.062955      3.102425
  C     -11.490675     -3.244093      3.710076
  C     -10.302681     -3.315734      4.475022
  C      -9.496768     -2.204220      4.619067
  C      -9.850960     -0.979299      4.001659
  H      -2.885672      2.583465      1.698398
  H      -1.256171      1.985201      2.056486
  H      -2.154284     -0.379952      2.032575
  H      -2.276615      0.501394      0.503532
  H      -6.682708      1.487504     -0.185204
  H      -7.910580     -2.364759      1.988653
  H      -6.778347     -3.907206      3.591953
  H      -4.416029     -3.486611      4.273955
  H      -3.156322     -1.598323      3.313134
  H      -5.152525      5.644904      4.431039
  H      -4.834092      6.198010      6.095422
  H      -3.691803      7.632793      4.548008
  H      -2.452435      6.721781      5.433955
  H      -3.831319      6.129798      0.282091
  H       0.285820      4.123393      0.583483
  H       1.880753      3.654942      2.451678
  H       1.325459      4.370990      4.774001
  H      -0.787467      5.547281      5.246228
  H      -7.611487      2.227271      5.606214
  H      -7.156876      2.090785      3.907701
  H      -7.082812     -0.490088      4.298610
  H      -7.914537     -0.190389      5.815189
  H     -10.953630      2.232087      2.335921
  H     -12.776787     -1.982717      2.510680
  H     -12.116028     -4.132381      3.604218
  H     -10.024957     -4.256696      4.953052
  H      -8.579028     -2.268201      5.204002
  N      -5.060503      3.313817      3.048582
  N      -5.693308      3.740348      2.068804
  H      -5.267332      3.425838      1.176380
89
Coordinates from ORCA-job orca E -6140.654719803819
  N      -2.636514      1.852341      3.630899
  Mo     -4.223626      2.693102      4.504052
  N      -5.655651      1.520262      5.221249
  C      -5.380765      0.818275      6.473811
  C      -3.881508      0.607335      6.638197
  N      -3.156136      1.857177      6.313465
  C      -1.752769      1.633694      5.894732
  C      -1.712298      1.097037      4.468419
  C      -3.280922      2.882147      7.377594
  C      -3.160213      4.276542      6.775388
  N      -3.956688      4.361330      5.553320
  H      -0.677595      1.197783      4.088447
  H      -1.936130      0.009961      4.464189
  H      -1.253827      2.612420      5.916222
  H      -1.232187      0.960992      6.601081
  H      -3.516781      5.011001      7.522442
  H      -2.094401      4.518324      6.593060
  H      -4.280202      2.770347      7.819725
  H      -2.532374      2.713607      8.173454
  H      -5.858327     -0.177596      6.492859
  H      -5.800708      1.374054      7.339726
  H      -3.549826     -0.153750      5.917972
  H      -3.631151      0.254537      7.655709
  C      -2.338719      1.794930      2.211432
  C      -2.671284      0.454719      1.519830
  C      -4.147173      0.187784      1.421644
  N      -4.838141      0.997583      0.624905
  C      -6.162168      0.745224      0.460878
  N      -6.852603     -0.270839      0.940457
  C      -6.168248     -1.118982      1.764503
  C      -6.845982     -2.234462      2.315958
  C      -6.199856     -3.069061      3.204040
  C      -4.856583     -2.824036      3.573258
  C      -4.163080     -1.764623      3.022867
  C      -4.792504     -0.897579      2.094287
  C      -4.381287      5.707290      5.211275
  C      -3.250096      6.630939      4.690127
  C      -2.734575      6.170127      3.358514
  N      -3.532974      6.399296      2.321048
  C      -3.134308      5.943866      1.107906
  N      -2.013579      5.312629      0.809634
  C      -1.160855      5.087963      1.853994
  C       0.067259      4.425620      1.606893
  C       0.940600      4.169383      2.643709
  C       0.624563      4.569460      3.962827
  C      -0.561011      5.224745      4.228442
  C      -1.484094      5.495900      3.187631
  C      -7.073070      1.597260      4.877137
  C      -7.761498      0.231572      4.804792
  C      -9.079263      0.229896      4.080021
  N      -9.492531      1.350167      3.504984
  C     -10.665725      1.308123      2.817016
  N     -11.462495      0.274129      2.638461
  C     -11.066033     -0.892616      3.233754
  C     -11.872344     -2.049133      3.090920
  C     -11.495636     -3.234421      3.688295
  C     -10.305801     -3.310109      4.449995
  C      -9.501539     -2.198369      4.601161
  C      -9.859545     -0.969202      3.994517
  H      -2.893842      2.588471      1.696231
  H      -1.262180      1.994672      2.052642
  H      -2.142436     -0.372176      2.010152
  H      -2.287264      0.519571      0.489040
  H      -6.706159      1.461961     -0.161893
  H      -7.888410     -2.390279      2.036006
  H      -6.731985     -3.919488      3.634274
  H      -4.363938     -3.484440      4.288840
  H      -3.124441     -1.593933      3.306244
  H      -5.151686      5.647642      4.431647
  H      -4.831879      6.198221      6.096659
  H      -3.685826      7.631725      4.550996
  H      -2.449116      6.716348      5.435875
  H      -3.830532      6.130243      0.284060
  H       0.288898      4.127771      0.580993
  H       1.884616      3.657585      2.447786
  H       1.328752      4.367916      4.771902
  H      -0.784983      5.541347      5.246755
  H      -7.615238      2.232753      5.606221
  H      -7.163339      2.097086      3.906801
  H      -7.093547     -0.483475      4.293466
  H      -7.920756     -0.185913      5.812469
  H     -10.970420      2.253487      2.356701
  H     -12.786555     -1.966133      2.501528
  H     -12.119247     -4.123200      3.576649
  H     -10.025570     -4.254460      4.919811
  H      -8.582157     -2.265086      5.183234
  N      -5.066205      3.314724      3.046961
  N      -5.700708      3.739401      2.067496
  H      -5.275940      3.424056      1.174795
89
Coordinates from ORCA-job orca E -6140.654722208848
  N      -2.639528      1.851750      3.631613
  Mo     -4.225989      2.693241      4.504663
  N      -5.658449      1.520388      5.221638
  C      -5.384136      0.818781      6.474557
  C      -3.885005      0.607389      6.639541
  N      -3.159147      1.856830      6.314493
  C      -1.755970      1.632705      5.895594
  C      -1.715853      1.095864      4.469330
  C      -3.283860      2.882271      7.378043
  C      -3.161585      4.276380      6.775533
  N      -3.957523      4.361799      5.553046
  H      -0.681094      1.195817      4.089347
  H      -1.940613      0.009027      4.465126
  H      -1.256677      2.611272      5.916804
  H      -1.235535      0.959965      6.602016
  H      -3.517613      5.011416      7.522280
  H      -2.095417      4.516974      6.593748
  H      -4.283641      2.771370      7.819279
  H      -2.536253      2.713629      8.174780
  H      -5.862101     -0.176893      6.493727
  H      -5.804054      1.374994      7.340174
  H      -3.553331     -0.154272      5.919911
  H      -3.635124      0.255091      7.657353
  C      -2.339553      1.797564      2.212458
  C      -2.670425      0.458952      1.517261
  C      -4.145876      0.189702      1.419620
  N      -4.839012      0.999475      0.624761
  C      -6.162958      0.745367      0.462411
  N      -6.851677     -0.271328      0.943200
  C      -6.164988     -1.119137      1.765651
  C      -6.840850     -2.234887      2.318784
  C      -6.192209     -3.069196      3.205367
  C      -4.847984     -2.823980      3.570839
  C      -4.156457     -1.764151      3.018823
  C      -4.788719     -0.896955      2.092383
  C      -4.379690      5.708530      5.210864
  C      -3.246152      6.629983      4.690981
  C      -2.731176      6.169959      3.358779
  N      -3.529469      6.401246      2.321649
  C      -3.130944      5.947824      1.107703
  N      -2.010601      5.316482      0.808378
  C      -1.158302      5.089152      1.852429
  C       0.069130      4.425970      1.604120
  C       0.942187      4.167068      2.640484
  C       0.626556      4.565219      3.960271
  C      -0.558353      5.221237      4.227090
  C      -1.481243      5.495020      3.186773
  C      -7.075897      1.597411      4.877594
  C      -7.764131      0.231450      4.804446
  C      -9.081733      0.228972      4.079129
  N      -9.494912      1.348520      3.502541
  C     -10.667838      1.305346      2.814095
  N     -11.464681      0.271228      2.636932
  C     -11.068505     -0.894683      3.233906
  C     -11.874998     -2.051236      3.092581
  C     -11.498432     -3.235816      3.691381
  C     -10.308605     -3.310697      4.453187
  C      -9.504182     -2.198866      4.603036
  C      -9.862016     -0.970326      3.994801
  H      -2.894693      2.591807      1.698383
  H      -1.262956      1.998433      2.055594
  H      -2.139697     -0.368729      2.004309
  H      -2.287506      0.527888      0.486315
  H      -6.708705      1.461225     -0.159839
  H      -7.883790     -2.391244      2.041136
  H      -6.723076     -3.919651      3.637085
  H      -4.353062     -3.484447      4.284788
  H      -3.117012     -1.593250      3.299060
  H      -5.149526      5.650444      4.430559
  H      -4.830123      6.200129      6.095942
  H      -3.678911      7.632243      4.553241
  H      -2.445164      6.712134      5.437102
  H      -3.826762      6.136608      0.284080
  H       0.290388      4.129772      0.577672
  H       1.885707      3.654697      2.443658
  H       1.330563      4.361640      4.768994
  H      -0.781820      5.536356      5.245966
  H      -7.617899      2.232040      5.607578
  H      -7.166821      2.097781      3.907581
  H      -7.095386     -0.482879      4.293079
  H      -7.923717     -0.186496      5.811841
  H     -10.972441      2.249908      2.352103
  H     -12.789211     -1.968961      2.503090
  H     -12.122157     -4.124681      3.580907
  H     -10.028602     -4.254599      4.924038
  H      -8.584873     -2.264900      5.185284
  N      -5.067584      3.315595      3.047531
  N      -5.701786      3.740297      2.067830
  H      -5.275062      3.427122      1.175263
89
Coordinates from ORCA-job orca E -6140.654723198339
  N      -2.642198      1.851202      3.632740
  Mo     -4.227888      2.693367      4.506226
  N      -5.660194      1.520863      5.224438
  C      -5.385500      0.819345      6.477273
  C      -3.886340      0.607941      6.642035
  N      -3.160529      1.857216      6.315989
  C      -1.757663      1.632645      5.896424
  C      -1.718464      1.095247      4.470344
  C      -3.284747      2.883374      7.378841
  C      -3.161710      4.277116      6.775525
  N      -3.957809      4.362447      5.553089
  H      -0.683841      1.194562      4.089842
  H      -1.943879      0.008576      4.466690
  H      -1.258024      2.611054      5.917003
  H      -1.237031      0.960000      6.602806
  H      -3.516969      5.012890      7.521899
  H      -2.095357      4.516791      6.593455
  H      -4.284691      2.773264      7.819930
  H      -2.537434      2.714894      8.175891
  H      -5.863552     -0.176295      6.496746
  H      -5.805027      1.375648      7.343024
  H      -3.554740     -0.154304      5.922988
  H      -3.636301      0.256455      7.660085
  C      -2.341522      1.799028      2.213719
  C      -2.671103      0.461333      1.516166
  C      -4.146232      0.189919      1.420241
  N      -4.841712      0.999568      0.627290
  C      -6.165742      0.744172      0.467416
  N      -6.852589     -0.273270      0.949278
  C      -6.163303     -1.121111      1.769612
  C      -6.837079     -2.237617      2.323646
  C      -6.185864     -3.071951      3.208299
  C      -4.840872     -2.826154      3.570643
  C      -4.151427     -1.765491      3.017621
  C      -4.786531     -0.898029      2.093350
  C      -4.378854      5.709278      5.210046
  C      -3.244327      6.629291      4.689926
  C      -2.730154      6.168666      3.357524
  N      -3.529000      6.399910      2.320795
  C      -3.130866      5.946934      1.106546
  N      -2.010642      5.315647      0.806604
  C      -1.158006      5.087963      1.850259
  C       0.069312      4.424653      1.601259
  C       0.942742      4.165463      2.637209
  C       0.627648      4.563360      3.957186
  C      -0.557039      5.219477      4.224674
  C      -1.480375      5.493625      3.184822
  C      -7.077809      1.598318      4.881323
  C      -7.765293      0.232127      4.804872
  C      -9.082634      0.230105      4.079201
  N      -9.496179      1.350460      3.504463
  C     -10.669053      1.308120      2.815974
  N     -11.465755      0.274145      2.637370
  C     -11.069109     -0.892722      3.232195
  C     -11.875165     -2.049296      3.088693
  C     -11.497912     -3.235004      3.684794
  C     -10.307981     -3.310910      4.446319
  C      -9.504087     -2.199034      4.598480
  C      -9.862435     -0.969355      3.992739
  H      -2.897292      2.593385      1.700536
  H      -1.265071      2.001098      2.057427
  H      -2.138393     -0.366906      2.000141
  H      -2.289983      0.533494      0.484765
  H      -6.713368      1.459767     -0.153481
  H      -7.880514     -2.394626      2.048238
  H      -6.715062     -3.922948      3.641037
  H      -4.343787     -3.486815      4.282904
  H      -3.111393     -1.594031      3.295268
  H      -5.148539      5.651355      4.429583
  H      -4.829137      6.201741      6.094707
  H      -3.675455      7.632287      4.552447
  H      -2.443046      6.710172      5.435875
  H      -3.827077      6.135862      0.283270
  H       0.290089      4.128813      0.574603
  H       1.886056      3.652871      2.439964
  H       1.331954      4.359518      4.765588
  H      -0.779914      5.534553      5.243702
  H      -7.619577      2.230683      5.613436
  H      -7.169603      2.100959      3.912540
  H      -7.095677     -0.480092      4.291681
  H      -7.924908     -0.188592      5.811112
  H     -10.973887      2.253266      2.355259
  H     -12.789509     -1.966176      2.499519
  H     -12.121226     -4.123883      3.572321
  H     -10.027386     -4.255782      4.914870
  H      -8.584638     -2.265994      5.180420
  N      -5.069698      3.315573      3.049259
  N      -5.704562      3.739678      2.069657
  H      -5.277435      3.427341      1.176987
89
Coordinates from ORCA-job orca E -6140.654723512167
  N      -2.642788      1.851248      3.632517
  Mo     -4.228390      2.693198      4.506247
  N      -5.660304      1.520307      5.225035
  C      -5.385233      0.818906      6.477779
  C      -3.886023      0.607930      6.642582
  N      -3.160629      1.857317      6.315962
  C      -1.757843      1.632948      5.896059
  C      -1.718930      1.095388      4.470049
  C      -3.284820      2.883764      7.378512
  C      -3.161761      4.277339      6.774825
  N      -3.957988      4.362496      5.552454
  H      -0.684373      1.194668      4.089353
  H      -1.944437      0.008752      4.466603
  H      -1.258214      2.611362      5.916447
  H      -1.236949      0.960379      6.602336
  H      -3.516764      5.013351      7.521076
  H      -2.095409      4.516802      6.592442
  H      -4.284816      2.773848      7.819566
  H      -2.537584      2.715442      8.175667
  H      -5.863040     -0.176872      6.497385
  H      -5.804845      1.375091      7.343585
  H      -3.554077     -0.154572      5.923968
  H      -3.635931      0.257046      7.660814
  C      -2.342045      1.799395      2.213527
  C      -2.671067      0.461628      1.515806
  C      -4.146060      0.189743      1.419882
  N      -4.841858      0.999013      0.626821
  C      -6.165947      0.743439      0.467592
  N      -6.852444     -0.274050      0.949876
  C      -6.162626     -1.121739      1.770017
  C      -6.835920     -2.238337      2.324359
  C      -6.184306     -3.072320      3.209041
  C      -4.839288     -2.826073      3.571049
  C      -4.150285     -1.765345      3.017637
  C      -4.785876     -0.898238      2.093326
  C      -4.379160      5.709208      5.209167
  C      -3.244442      6.629143      4.689364
  C      -2.729998      6.168373      3.357054
  N      -3.528683      6.399321      2.320133
  C      -3.130201      5.946273      1.106007
  N      -2.009796      5.315147      0.806367
  C      -1.157377      5.087702      1.850222
  C       0.070053      4.424390      1.601577
  C       0.943229      4.165304      2.637760
  C       0.627766      4.563368      3.957595
  C      -0.556973      5.219507      4.224722
  C      -1.480127      5.493465      3.184671
  C      -7.078220      1.598065      4.883056
  C      -7.765709      0.231985      4.805313
  C      -9.083176      0.230387      4.079954
  N      -9.497051      1.351168      3.506321
  C     -10.670079      1.309381      2.818114
  N     -11.466683      0.275486      2.638739
  C     -11.069733     -0.891891      3.232376
  C     -11.875722     -2.048381      3.087896
  C     -11.498327     -3.234631      3.682799
  C     -10.308334     -3.311132      4.444168
  C      -9.504475     -2.199345      4.597237
  C      -9.862894     -0.969114      3.992620
  H      -2.898131      2.593540      1.700372
  H      -1.265676      2.001867      2.057143
  H      -2.138102     -0.366630      1.999484
  H      -2.290043      0.534142      0.484378
  H      -6.713864      1.458995     -0.153082
  H      -7.879329     -2.395783      2.049121
  H      -6.712993     -3.923445      3.642134
  H      -4.341887     -3.486454      4.283343
  H      -3.110249     -1.593462      3.295037
  H      -5.148604      5.651061      4.428491
  H      -4.829820      6.201645      6.093655
  H      -3.675250      7.632257      4.551783
  H      -2.443327      6.709827      5.435511
  H      -3.826148      6.135141      0.282497
  H       0.291071      4.128680      0.574933
  H       1.886558      3.652604      2.440876
  H       1.331886      4.359656      4.766194
  H      -0.780035      5.534851      5.243638
  H      -7.619409      2.229398      5.616481
  H      -7.170782      2.101966      3.914995
  H      -7.096099     -0.479572      4.291169
  H      -7.925310     -0.189786      5.811123
  H     -10.975319      2.254933      2.358490
  H     -12.790206     -1.964694      2.499019
  H     -12.121657     -4.123400      3.569434
  H     -10.027627     -4.256401      4.911849
  H      -8.585108     -2.266786      5.179248
  N      -5.070434      3.315445      3.049487
  N      -5.705542      3.739431      2.069947
  H      -5.278451      3.427031      1.177291
