91
Coordinates from ORCA-job orca E -6141.473129394053
  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      -4.777017      2.868817      1.790316
  H      -4.042266      2.686922      1.120441
  H      -5.531997      2.211707      1.649290
  H      -5.121971      3.810595      1.664871
91
Coordinates from ORCA-job orca E -6141.478967078975
  N      -2.844393      0.587816      5.027650
  Mo     -3.480666      2.491020      5.069203
  N      -5.087021      2.274096      6.161721
  C      -4.949654      2.357590      7.598630
  C      -3.625103      1.690760      7.997206
  N      -2.534185      2.185396      7.126831
  C      -1.494955      1.164195      6.967812
  C      -2.043323      0.030826      6.097391
  C      -1.974627      3.451471      7.639244
  C      -1.906542      4.461187      6.474757
  N      -3.132173      4.312616      5.730506
  H      -1.195378     -0.543349      5.693265
  H      -2.636119     -0.666482      6.713262
  H      -0.647704      1.623668      6.447609
  H      -1.156595      0.781012      7.941331
  H      -1.771336      5.476135      6.868154
  H      -1.053104      4.220071      5.827757
  H      -2.643657      3.858097      8.403171
  H      -0.988719      3.293308      8.088882
  H      -5.775646      1.855556      8.123260
  H      -4.951794      3.412081      7.925662
  H      -3.739783      0.617674      7.830867
  H      -3.394062      1.860407      9.056342
  C      -2.652367     -0.098592      3.767076
  C      -3.645956     -1.289866      3.636444
  C      -4.753737     -1.197095      2.609844
  N      -4.876305     -0.107885      1.850371
  C      -5.855152     -0.110667      0.928196
  N      -6.696186     -1.063281      0.647954
  C      -6.625739     -2.177195      1.421518
  C      -7.531489     -3.223912      1.195952
  C      -7.481676     -4.356222      1.976652
  C      -6.526915     -4.474520      2.993653
  C      -5.623299     -3.464966      3.231450
  C      -5.644895     -2.290795      2.449606
  C      -4.087111      5.358465      6.015635
  C      -4.012512      6.604195      5.075524
  C      -4.361490      6.221668      3.681520
  N      -5.683196      6.175960      3.466790
  C      -6.114660      5.837306      2.260071
  N      -5.385081      5.508999      1.220949
  C      -4.029744      5.547481      1.397214
  C      -3.219874      5.217984      0.310729
  C      -1.848152      5.279517      0.425768
  C      -1.258978      5.657592      1.638838
  C      -2.035616      5.963322      2.733982
  C      -3.441107      5.914645      2.645480
  C      -6.366925      1.952960      5.592652
  C      -6.168048      0.786978      4.593822
  C      -7.017744      0.922121      3.376286
  N      -6.878009      2.103018      2.770328
  C      -7.587697      2.340585      1.667836
  N      -8.445730      1.540404      1.097673
  C      -8.613188      0.317134      1.674185
  C      -9.513601     -0.589902      1.087121
  C      -9.698853     -1.833686      1.641816
  C      -8.994649     -2.209865      2.794200
  C      -8.112152     -1.345008      3.391589
  C      -7.898736     -0.057293      2.856068
  H      -2.828396      0.601418      2.946874
  H      -1.619788     -0.476450      3.667372
  H      -4.114752     -1.435415      4.616095
  H      -3.089441     -2.201689      3.397460
  H      -5.928585      0.782518      0.315319
  H      -8.257607     -3.104039      0.405506
  H      -8.181976     -5.160333      1.801219
  H      -6.500229     -5.370664      3.597408
  H      -4.889998     -3.566338      4.018655
  H      -5.105423      4.962845      5.901641
  H      -3.940423      5.725999      7.043522
  H      -4.761585      7.325259      5.408540
  H      -3.019863      7.046710      5.156770
  H      -7.197104      5.813808      2.120341
  H      -3.714990      4.928390     -0.602588
  H      -1.224431      5.036014     -0.422547
  H      -0.181882      5.702970      1.714675
  H      -1.563800      6.242791      3.664463
  H      -7.121155      1.691541      6.350331
  H      -6.765273      2.817197      5.034280
  H      -5.125356      0.900833      4.276743
  H      -6.301592     -0.172805      5.094625
  H      -7.423541      3.320442      1.212557
  H     -10.039055     -0.273292      0.198155
  H     -10.388899     -2.530891      1.189350
  H      -9.149673     -3.192467      3.216650
  H      -7.577966     -1.654447      4.279053
  N      -4.228616      2.757772      3.123717
  N      -4.711789      2.904749      1.838933
  H      -3.971367      2.723574      1.156454
  H      -5.478201      2.256831      1.694603
  H      -5.046393      3.847686      1.711483
91
Coordinates from ORCA-job orca E -6141.543054653664
  N      -2.728554      0.567802      5.140881
  Mo     -3.386622      2.457128      5.101662
  N      -5.052470      2.270546      6.125124
  C      -4.967994      2.411737      7.564037
  C      -3.666759      1.759563      8.047871
  N      -2.541594      2.228588      7.209066
  C      -1.485747      1.207662      7.128364
  C      -1.979256      0.037975      6.264538
  C      -2.023324      3.523036      7.707054
  C      -1.913615      4.500042      6.515251
  N      -3.105714      4.307027      5.718683
  H      -1.103783     -0.534849      5.920352
  H      -2.595443     -0.654728      6.864681
  H      -0.618678      1.660276      6.632926
  H      -1.189870      0.859633      8.129963
  H      -1.813181      5.528897      6.885878
  H      -1.025154      4.257464      5.915219
  H      -2.736209      3.942082      8.424834
  H      -1.057843      3.393382      8.210415
  H      -5.816881      1.929725      8.071599
  H      -4.981408      3.478924      7.850957
  H      -3.772797      0.679077      7.919985
  H      -3.481597      1.971092      9.109767
  C      -2.477915     -0.118260      3.881300
  C      -3.461945     -1.300083      3.649466
  C      -4.462126     -1.080658      2.531700
  N      -4.416909      0.074340      1.865254
  C      -5.279246      0.245271      0.848388
  N      -6.153018     -0.604584      0.388707
  C      -6.259764     -1.780915      1.059944
  C      -7.226856     -2.705532      0.638970
  C      -7.382289     -3.892758      1.311652
  C      -6.563437     -4.198382      2.412238
  C      -5.595846     -3.312821      2.841007
  C      -5.416915     -2.077215      2.176978
  C      -4.106850      5.338774      5.931991
  C      -4.073916      6.572159      4.972013
  C      -4.418140      6.133599      3.592083
  N      -5.741842      6.027009      3.389545
  C      -6.171739      5.626772      2.192028
  N      -5.427030      5.287517      1.163439
  C      -4.072981      5.380378      1.336291
  C      -3.257811      5.012205      0.266395
  C      -1.886868      5.121429      0.368808
  C      -1.303577      5.585447      1.559089
  C      -2.086645      5.921385      2.643003
  C      -3.491880      5.822474      2.562935
  C      -6.353371      1.929397      5.588928
  C      -6.293812      0.692734      4.658715
  C      -7.217015      0.799992      3.490301
  N      -7.051920      1.899622      2.759890
  C      -7.829486      2.094620      1.690334
  N      -8.781765      1.300898      1.260024
  C      -8.975882      0.147549      1.971121
  C      -9.964294     -0.767322      1.548486
  C     -10.166159     -1.938180      2.248938
  C      -9.403524     -2.228952      3.390699
  C      -8.436945     -1.360480      3.826833
  C      -8.195250     -0.154783      3.135136
  H      -2.617354      0.589596      3.059759
  H      -1.438108     -0.486918      3.837236
  H      -4.009580     -1.480256      4.583070
  H      -2.914249     -2.221383      3.417959
  H      -5.207905      1.186897      0.310419
  H      -7.844399     -2.442588     -0.209965
  H      -8.145827     -4.589131      0.986364
  H      -6.697241     -5.139988      2.931678
  H      -4.973086     -3.556841      3.693080
  H      -5.110814      4.910100      5.804288
  H      -3.995748      5.730260      6.956220
  H      -4.855208      7.269777      5.285893
  H      -3.100849      7.062032      5.048179
  H      -7.256943      5.527147      2.055965
  H      -3.756169      4.647499     -0.618700
  H      -1.257866      4.847067     -0.469705
  H      -0.225353      5.667265      1.627634
  H      -1.620189      6.259206      3.559902
  H      -7.080909      1.734428      6.391766
  H      -6.740379      2.776956      4.998039
  H      -5.271235      0.699604      4.266200
  H      -6.461514     -0.216708      5.240141
  H      -7.629256      3.031211      1.141201
  H     -10.538033     -0.518594      0.664420
  H     -10.911734     -2.652179      1.922814
  H      -9.576367     -3.152963      3.928182
  H      -7.852378     -1.605620      4.705401
  N      -3.972674      2.613909      3.130203
  N      -4.340224      2.649864      1.802187
  H      -3.538877      2.446560      1.184039
  H      -5.086097      1.973422      1.646887
  H      -4.686235      3.570890      1.570475
91
Coordinates from ORCA-job orca E -6141.569168800011
  N      -2.743481      0.591496      4.969717
  Mo     -3.389572      2.492735      5.017975
  N      -5.055115      2.271114      6.032944
  C      -4.962055      2.355785      7.480210
  C      -3.665288      1.677319      7.934301
  N      -2.536139      2.176568      7.110665
  C      -1.481705      1.152715      6.982820
  C      -1.987491      0.025489      6.077492
  C      -2.007986      3.451052      7.662738
  C      -1.895560      4.476100      6.517349
  N      -3.092682      4.317573      5.712309
  H      -1.119984     -0.544500      5.707438
  H      -2.605896     -0.681371      6.661433
  H      -0.612553      1.621695      6.503309
  H      -1.183778      0.763522      7.970307
  H      -1.791829      5.489019      6.932780
  H      -1.005653      4.259609      5.906353
  H      -2.720443      3.839525      8.400077
  H      -1.041589      3.294839      8.160856
  H      -5.812848      1.858055      7.970358
  H      -4.968721      3.411579      7.810917
  H      -3.776741      0.601657      7.763101
  H      -3.474264      1.844577      9.004649
  C      -2.508852     -0.099060      3.694736
  C      -3.502091     -1.296156      3.526763
  C      -4.574208     -1.192240      2.452869
  N      -4.625850     -0.105076      1.686420
  C      -5.567161     -0.058292      0.717263
  N      -6.433878     -0.979306      0.391928
  C      -6.442331     -2.090817      1.172299
  C      -7.405262     -3.080362      0.908452
  C      -7.476648     -4.199874      1.700896
  C      -6.567695     -4.378157      2.764226
  C      -5.600211     -3.428512      3.036086
  C      -5.512306     -2.252792      2.250132
  C      -4.135198      5.304544      5.938261
  C      -4.137332      6.578712      5.033490
  C      -4.384653      6.197013      3.611852
  N      -5.667966      5.974317      3.287282
  C      -5.941306      5.591894      2.026016
  N      -5.071948      5.389440      1.052918
  C      -3.755152      5.612557      1.357531
  C      -2.794921      5.384227      0.358199
  C      -1.459258      5.622886      0.611826
  C      -1.050186      6.076052      1.880834
  C      -1.971192      6.269499      2.889819
  C      -3.345685      6.036327      2.656689
  C      -6.371978      1.957277      5.494436
  C      -6.355986      0.725588      4.546222
  C      -7.295151      0.810911      3.382199
  N      -7.150873      1.872185      2.593322
  C      -7.963653      2.016658      1.531713
  N      -8.922987      1.194593      1.158297
  C      -9.087490      0.073901      1.928486
  C     -10.069514     -0.880430      1.570952
  C     -10.235720     -2.020461      2.333574
  C      -9.451121     -2.238945      3.480751
  C      -8.490603     -1.333049      3.853474
  C      -8.278453     -0.162545      3.090941
  H      -2.657295      0.597522      2.865199
  H      -1.472151     -0.474195      3.637769
  H      -4.005161     -1.435688      4.494102
  H      -2.951043     -2.223723      3.317764
  H      -5.571788      0.828708      0.082843
  H      -8.093214     -2.914177      0.085403
  H      -8.249364     -4.938158      1.500911
  H      -6.634660     -5.270148      3.382051
  H      -4.911274     -3.573579      3.863817
  H      -5.110279      4.826509      5.762288
  H      -4.080984      5.663220      6.979793
  H      -4.973807      7.205119      5.361128
  H      -3.199150      7.128839      5.161915
  H      -6.990122      5.374212      1.779080
  H      -3.157623      5.014221     -0.593867
  H      -0.720272      5.457717     -0.168096
  H       0.004276      6.260709      2.069014
  H      -1.637531      6.598763      3.869829
  H      -7.086249      1.752357      6.307051
  H      -6.757657      2.824675      4.932295
  H      -5.340853      0.708475      4.133580
  H      -6.530419     -0.177495      5.138823
  H      -7.785063      2.935119      0.940404
  H     -10.664007     -0.688493      0.682095
  H     -10.967427     -2.772902      2.054599
  H      -9.598678     -3.140349      4.068632
  H      -7.883134     -1.523859      4.733649
  N      -3.954515      2.786309      3.123925
  N      -4.332656      2.949807      1.811814
  H      -3.547416      2.784526      1.159464
  H      -5.097141      2.299732      1.608079
  H      -4.669408      3.902816      1.656361
91
Coordinates from ORCA-job orca E -6141.593091007800
  N      -2.718229      0.615072      4.914163
  Mo     -3.416362      2.504192      4.981106
  N      -5.056545      2.262855      6.019845
  C      -4.940680      2.345250      7.470372
  C      -3.633584      1.675698      7.902699
  N      -2.516929      2.193987      7.060685
  C      -1.438599      1.190201      6.911011
  C      -1.931266      0.062656      6.011412
  C      -1.995317      3.477358      7.610455
  C      -1.913026      4.502536      6.468397
  N      -3.127945      4.344074      5.681997
  H      -1.058213     -0.489125      5.625175
  H      -2.526030     -0.659662      6.604241
  H      -0.586938      1.683932      6.421556
  H      -1.115870      0.805101      7.894187
  H      -1.810718      5.516973      6.885589
  H      -1.028471      4.298286      5.842463
  H      -2.700559      3.853062      8.363483
  H      -1.018503      3.325909      8.094232
  H      -5.781582      1.839207      7.970346
  H      -4.950677      3.400560      7.806386
  H      -3.733342      0.597288      7.729981
  H      -3.426213      1.842008      8.971939
  C      -2.491805     -0.088938      3.635834
  C      -3.471698     -1.297171      3.489910
  C      -4.561383     -1.211124      2.434975
  N      -4.637695     -0.136877      1.657552
  C      -5.607903     -0.106905      0.705705
  N      -6.481410     -1.041491      0.414526
  C      -6.459551     -2.143731      1.215717
  C      -7.430234     -3.145065      1.002054
  C      -7.477829     -4.246608      1.825945
  C      -6.532847     -4.400784      2.866485
  C      -5.558431     -3.443368      3.085418
  C      -5.498996     -2.282698      2.271646
  C      -4.171269      5.330429      5.944469
  C      -4.163424      6.620776      5.063863
  C      -4.420568      6.269600      3.639789
  N      -5.697923      6.069756      3.292901
  C      -5.945972      5.685644      2.019509
  N      -5.050098      5.456841      1.069240
  C      -3.733515      5.654941      1.410057
  C      -2.737818      5.350171      0.459620
  C      -1.404783      5.554133      0.759693
  C      -1.030177      6.041456      2.031821
  C      -1.985280      6.288741      2.997971
  C      -3.358247      6.089372      2.713206
  C      -6.370927      1.944060      5.469748
  C      -6.352580      0.727306      4.504016
  C      -7.297761      0.841651      3.343944
  N      -7.150522      1.914575      2.567109
  C      -7.984457      2.080840      1.515249
  N      -8.951229      1.266785      1.134098
  C      -9.108819      0.133018      1.885076
  C     -10.089292     -0.819474      1.509884
  C     -10.249432     -1.975833      2.249000
  C      -9.466036     -2.213341      3.399116
  C      -8.505850     -1.309372      3.789454
  C      -8.293807     -0.124610      3.041840
  H      -2.661372      0.599046      2.802727
  H      -1.451356     -0.449639      3.567342
  H      -3.961517     -1.433516      4.466866
  H      -2.914752     -2.224389      3.280294
  H      -5.633774      0.776279      0.057198
  H      -8.147425     -2.996422      0.195875
  H      -8.264846     -4.986759      1.671869
  H      -6.580604     -5.279629      3.510698
  H      -4.843746     -3.569200      3.899073
  H      -5.151141      4.854642      5.783937
  H      -4.101495      5.675601      6.990869
  H      -4.986357      7.258028      5.412011
  H      -3.212031      7.152492      5.193769
  H      -6.989643      5.472280      1.747531
  H      -3.076665      4.933798     -0.485174
  H      -0.638036      5.330358      0.017079
  H       0.024867      6.196761      2.259372
  H      -1.680668      6.626609      3.988116
  H      -7.082212      1.730841      6.282954
  H      -6.759488      2.816267      4.916830
  H      -5.338930      0.708764      4.083167
  H      -6.525100     -0.187438      5.081190
  H      -7.815984      3.011492      0.943871
  H     -10.685644     -0.614471      0.620645
  H     -10.973611     -2.733346      1.948958
  H      -9.611015     -3.130450      3.970372
  H      -7.894415     -1.515847      4.666732
  N      -4.002982      2.712306      3.172022
  N      -4.417130      2.770185      1.853074
  H      -3.652231      2.613258      1.167009
  H      -5.166993      2.068892      1.711223
  H      -4.810794      3.698335      1.627310
91
Coordinates from ORCA-job orca E -6141.603273430417
  N      -2.735236      0.635700      4.909007
  Mo     -3.443132      2.526783      4.994562
  N      -5.067617      2.312135      6.049561
  C      -4.940346      2.404461      7.500933
  C      -3.644015      1.710683      7.924635
  N      -2.519632      2.208923      7.069944
  C      -1.448495      1.193665      6.908351
  C      -1.948144      0.076148      6.007443
  C      -1.971148      3.489939      7.613225
  C      -1.884002      4.506970      6.467475
  N      -3.115930      4.373687      5.699227
  H      -1.078804     -0.480024      5.618120
  H      -2.545877     -0.647804      6.597901
  H      -0.598327      1.689898      6.417124
  H      -1.120179      0.807799      7.890353
  H      -1.759426      5.522671      6.879799
  H      -1.008239      4.291065      5.831657
  H      -2.663476      3.875200      8.374661
  H      -0.993822      3.316672      8.091610
  H      -5.788066      1.914344      8.006869
  H      -4.931786      3.461302      7.832252
  H      -3.758646      0.631964      7.756093
  H      -3.422167      1.876320      8.992018
  C      -2.519159     -0.092649      3.637307
  C      -3.485374     -1.303344      3.483325
  C      -4.539306     -1.217392      2.397476
  N      -4.579453     -0.152517      1.607969
  C      -5.518081     -0.124649      0.617206
  N      -6.395098     -1.056006      0.310672
  C      -6.405629     -2.151643      1.130052
  C      -7.379471     -3.152056      0.903774
  C      -7.461386     -4.239980      1.746917
  C      -6.547165     -4.385319      2.818039
  C      -5.571316     -3.432512      3.047415
  C      -5.480502     -2.285506      2.217278
  C      -4.136772      5.376901      5.991903
  C      -4.126939      6.655065      5.104093
  C      -4.443786      6.275826      3.698003
  N      -5.732849      6.073768      3.423877
  C      -6.044155      5.633077      2.180486
  N      -5.198092      5.362382      1.193652
  C      -3.865079      5.573126      1.456414
  C      -2.916778      5.231065      0.464665
  C      -1.570218      5.432198      0.696770
  C      -1.129431      5.958246      1.935978
  C      -2.035036      6.249319      2.937795
  C      -3.423892      6.054310      2.724455
  C      -6.371348      2.001959      5.474591
  C      -6.333739      0.759589      4.548813
  C      -7.238607      0.863568      3.357651
  N      -7.019266      1.903811      2.550726
  C      -7.818530      2.060123      1.464178
  N      -8.793502      1.262727      1.069729
  C      -9.011884      0.157696      1.846580
  C      -9.996117     -0.783072      1.449883
  C     -10.218408     -1.914113      2.209246
  C      -9.499423     -2.136604      3.407706
  C      -8.536106     -1.242269      3.820454
  C      -8.256585     -0.085212      3.046375
  H      -2.680427      0.585339      2.794422
  H      -1.478719     -0.452993      3.586509
  H      -4.000508     -1.440359      4.448491
  H      -2.921608     -2.232887      3.295633
  H      -5.514551      0.758345     -0.036186
  H      -8.074106     -3.009633      0.074579
  H      -8.255743     -4.974008      1.587614
  H      -6.621454     -5.253414      3.476850
  H      -4.880854     -3.552453      3.884587
  H      -5.129867      4.918272      5.867946
  H      -4.033048      5.718194      7.038028
  H      -4.927083      7.312737      5.472913
  H      -3.164811      7.174782      5.196523
  H      -7.101607      5.415874      1.973519
  H      -3.302724      4.790655     -0.456793
  H      -0.839521      5.179526     -0.074746
  H      -0.062015      6.113146      2.106444
  H      -1.679269      6.619599      3.899432
  H      -7.101509      1.820423      6.278948
  H      -6.732104      2.865598      4.890469
  H      -5.308788      0.703382      4.156593
  H      -6.532663     -0.138487      5.143276
  H      -7.606462      2.963632      0.872365
  H     -10.543496     -0.591813      0.524722
  H     -10.940513     -2.668313      1.888330
  H      -9.693888     -3.036520      3.994999
  H      -7.970743     -1.439031      4.731308
  N      -3.999525      2.699349      3.281739
  N      -4.420378      2.679083      1.960463
  H      -3.656361      2.490701      1.280582
  H      -5.176379      1.963361      1.858073
  H      -4.826543      3.594746      1.661061
91
Coordinates from ORCA-job orca E -6141.608227237440
  N      -2.699877      0.657057      4.831643
  Mo     -3.455484      2.530536      4.943092
  N      -5.087129      2.281699      5.985565
  C      -4.969145      2.352339      7.437986
  C      -3.673311      1.662692      7.862186
  N      -2.544584      2.188056      7.032868
  C      -1.457973      1.192766      6.867157
  C      -1.926692      0.087943      5.936039
  C      -2.018191      3.467156      7.602040
  C      -1.921803      4.495157      6.469143
  N      -3.140433      4.376588      5.679901
  H      -1.044953     -0.453685      5.554452
  H      -2.527579     -0.654082      6.500038
  H      -0.610331      1.716046      6.401304
  H      -1.137555      0.795328      7.846625
  H      -1.805604      5.507278      6.892751
  H      -1.034831      4.292867      5.845478
  H      -2.725416      3.832798      8.358922
  H      -1.049302      3.291081      8.095657
  H      -5.818761      1.847427      7.926816
  H      -4.973339      3.402610      7.785903
  H      -3.770404      0.585925      7.672810
  H      -3.462577      1.811478      8.933905
  C      -2.494021     -0.083267      3.571112
  C      -3.432823     -1.313038      3.462104
  C      -4.508161     -1.251463      2.400870
  N      -4.567428     -0.197191      1.599194
  C      -5.534444     -0.177597      0.638333
  N      -6.430249     -1.102839      0.380045
  C      -6.419221     -2.188931      1.214834
  C      -7.408995     -3.183291      1.042511
  C      -7.467288     -4.257039      1.905748
  C      -6.516267     -4.394257      2.943085
  C      -5.525986     -3.447137      3.119700
  C      -5.458300     -2.316648      2.268154
  C      -4.162234      5.372145      5.980798
  C      -4.128131      6.672602      5.129995
  C      -4.396671      6.337325      3.701333
  N      -5.672598      6.114716      3.394340
  C      -5.944679      5.672272      2.146177
  N      -5.075303      5.426085      1.176454
  C      -3.754682      5.667986      1.464201
  C      -2.779720      5.334814      0.495721
  C      -1.442892      5.546133      0.764397
  C      -1.037867      6.073550      2.014136
  C      -1.969325      6.353937      2.993793
  C      -3.350007      6.147753      2.745656
  C      -6.395245      1.974288      5.415070
  C      -6.371214      0.735924      4.480890
  C      -7.316947      0.842576      3.321423
  N      -7.139231      1.896744      2.521862
  C      -8.001891      2.070710      1.487058
  N      -8.985330      1.275080      1.124902
  C      -9.149152      0.147482      1.880261
  C     -10.132436     -0.797879      1.498750
  C     -10.303655     -1.952260      2.232945
  C      -9.533264     -2.192531      3.394535
  C      -8.570758     -1.290881      3.793085
  C      -8.339765     -0.111320      3.037904
  H      -2.680581      0.576744      2.719637
  H      -1.447919     -0.424956      3.514589
  H      -3.925161     -1.448288      4.438878
  H      -2.858054     -2.236730      3.284339
  H      -5.547176      0.702425     -0.016064
  H      -8.133490     -3.047264      0.239584
  H      -8.272517     -4.985527      1.792738
  H      -6.572830     -5.250540      3.616754
  H      -4.806344     -3.560430      3.931095
  H      -5.153680      4.918894      5.829779
  H      -4.082055      5.680966      7.039298
  H      -4.939921      7.317826      5.494990
  H      -3.173166      7.192364      5.268070
  H      -6.991565      5.432980      1.921586
  H      -3.133127      4.887446     -0.435868
  H      -0.690445      5.300378      0.013576
  H       0.022476      6.237044      2.210283
  H      -1.639900      6.721257      3.964184
  H      -7.109940      1.788381      6.232567
  H      -6.768862      2.841049      4.844568
  H      -5.356235      0.685116      4.063173
  H      -6.546078     -0.171413      5.067963
  H      -7.838868      2.989517      0.909761
  H     -10.719655     -0.592156      0.603128
  H     -11.022577     -2.710153      1.916883
  H      -9.687340     -3.110704      3.962931
  H      -7.965209     -1.501959      4.673179
  N      -3.939241      2.724279      3.235789
  N      -4.312021      2.694331      1.902349
  H      -3.516171      2.513978      1.264789
  H      -5.055795      1.968127      1.773723
  H      -4.727358      3.600655      1.581062
91
Coordinates from ORCA-job orca E -6141.612688754692
  N      -2.694420      0.674034      4.782718
  Mo     -3.482303      2.531727      4.921641
  N      -5.098595      2.272139      5.991260
  C      -4.966694      2.341324      7.440489
  C      -3.668723      1.648463      7.847307
  N      -2.549289      2.178485      7.012598
  C      -1.463949      1.188786      6.832739
  C      -1.929831      0.093848      5.886803
  C      -2.020624      3.457726      7.577888
  C      -1.928175      4.483098      6.441432
  N      -3.151505      4.377873      5.660377
  H      -1.045532     -0.443718      5.504826
  H      -2.533291     -0.656563      6.436062
  H      -0.620417      1.722679      6.372577
  H      -1.138338      0.783082      7.806541
  H      -1.801686      5.495069      6.861890
  H      -1.045642      4.278160      5.813050
  H      -2.724198      3.821669      8.338446
  H      -1.051649      3.278407      8.069252
  H      -5.813084      1.836160      7.934903
  H      -4.966458      3.390120      7.790869
  H      -3.764005      0.572850      7.652575
  H      -3.446269      1.791247      8.917234
  C      -2.504948     -0.074835      3.530814
  C      -3.436001     -1.309495      3.438479
  C      -4.499613     -1.272395      2.362849
  N      -4.534673     -0.245953      1.522274
  C      -5.478794     -0.255357      0.541734
  N      -6.379543     -1.176593      0.303279
  C      -6.395848     -2.231666      1.175276
  C      -7.393467     -3.218613      1.022031
  C      -7.480508     -4.257592      1.923340
  C      -6.549604     -4.369655      2.979282
  C      -5.549946     -3.429973      3.137669
  C      -5.456328     -2.332244      2.248832
  C      -4.172216      5.364169      5.978339
  C      -4.143923      6.679326      5.151603
  C      -4.393274      6.372089      3.711636
  N      -5.660499      6.113794      3.388876
  C      -5.905291      5.655610      2.143121
  N      -5.020555      5.430563      1.185254
  C      -3.712831      5.721010      1.480539
  C      -2.719355      5.403908      0.527332
  C      -1.391697      5.644472      0.813473
  C      -1.014762      6.187337      2.063012
  C      -1.964018      6.453580      3.028223
  C      -3.335090      6.216822      2.763879
  C      -6.408864      1.965894      5.431841
  C      -6.386675      0.701357      4.535973
  C      -7.311105      0.798498      3.361452
  N      -7.065592      1.811043      2.527376
  C      -7.898458      1.984300      1.471292
  N      -8.900237      1.214042      1.112384
  C      -9.125084      0.118052      1.899461
  C     -10.121942     -0.809941      1.515358
  C     -10.353072     -1.932366      2.281406
  C      -9.634518     -2.150013      3.478281
  C      -8.659272     -1.264322      3.878591
  C      -8.362256     -0.124462      3.089343
  H      -2.695516      0.575076      2.673384
  H      -1.457052     -0.413594      3.473964
  H      -3.935451     -1.435818      4.412295
  H      -2.855132     -2.232940      3.286476
  H      -5.468761      0.603054     -0.137978
  H      -8.103116     -3.102804      0.204304
  H      -8.295229     -4.976234      1.830001
  H      -6.628812     -5.199491      3.681271
  H      -4.845023     -3.523594      3.962846
  H      -5.162524      4.909244      5.823243
  H      -4.096227      5.654131      7.042557
  H      -4.963242      7.309544      5.524073
  H      -3.195585      7.206464      5.306210
  H      -6.942370      5.383323      1.912869
  H      -3.045227      4.941283     -0.404751
  H      -0.624210      5.409926      0.075920
  H       0.038215      6.374582      2.270832
  H      -1.655244      6.831721      4.000618
  H      -7.126164      1.810482      6.253667
  H      -6.771896      2.819687      4.836498
  H      -5.365967      0.619248      4.137667
  H      -6.580229     -0.190735      5.140582
  H      -7.690701      2.876696      0.867718
  H     -10.669185     -0.619856      0.592797
  H     -11.077218     -2.681472      1.960957
  H      -9.835985     -3.041079      4.071939
  H      -8.090936     -1.461960      4.785491
  N      -3.976595      2.734819      3.193420
  N      -4.363880      2.686739      1.864264
  H      -3.567251      2.501849      1.234956
  H      -5.099522      1.954732      1.747169
  H      -4.791687      3.585170      1.540324
91
Coordinates from ORCA-job orca E -6141.616578233497
  N      -2.654172      0.704659      4.741648
  Mo     -3.485719      2.539721      4.907859
  N      -5.103064      2.263906      5.975150
  C      -4.978399      2.319691      7.426507
  C      -3.682719      1.624748      7.831872
  N      -2.558557      2.165933      7.010781
  C      -1.469832      1.181920      6.826506
  C      -1.917330      0.105449      5.854459
  C      -2.031347      3.445373      7.581829
  C      -1.921401      4.468722      6.445621
  N      -3.143306      4.384088      5.660534
  H      -1.024400     -0.427024      5.483145
  H      -2.533549     -0.655522      6.375032
  H      -0.622652      1.728543      6.387463
  H      -1.152484      0.761064      7.797013
  H      -1.783555      5.479778      6.866748
  H      -1.036213      4.257784      5.822121
  H      -2.741836      3.809505      8.336499
  H      -1.069692      3.258880      8.085980
  H      -5.828479      1.810144      7.910469
  H      -4.980038      3.365184      7.787786
  H      -3.771359      0.550766      7.622639
  H      -3.464916      1.753975      8.905344
  C      -2.473540     -0.054936      3.498148
  C      -3.406850     -1.287040      3.418270
  C      -4.466663     -1.263614      2.336771
  N      -4.477994     -0.267327      1.459164
  C      -5.414713     -0.299208      0.469871
  N      -6.335498     -1.208775      0.263839
  C      -6.376460     -2.230391      1.173849
  C      -7.390283     -3.206045      1.051495
  C      -7.494196     -4.213779      1.986660
  C      -6.568448     -4.304548      3.049846
  C      -5.554880     -3.374617      3.180250
  C      -5.442168     -2.309608      2.254103
  C      -4.166059      5.359417      5.997934
  C      -4.140796      6.677196      5.181575
  C      -4.403235      6.363242      3.745316
  N      -5.669764      6.082436      3.434859
  C      -5.914666      5.592133      2.200477
  N      -5.030875      5.357858      1.243016
  C      -3.727907      5.689392      1.518651
  C      -2.733370      5.399413      0.555793
  C      -1.409269      5.672995      0.832465
  C      -1.035883      6.231434      2.076288
  C      -1.985868      6.488097      3.043774
  C      -3.352526      6.217639      2.790194
  C      -6.408524      1.965851      5.395755
  C      -6.384876      0.694051      4.507837
  C      -7.304138      0.785326      3.326168
  N      -7.036391      1.772736      2.467213
  C      -7.874174      1.940842      1.411521
  N      -8.892086      1.182422      1.072129
  C      -9.135298      0.107075      1.882674
  C     -10.150020     -0.810321      1.519987
  C     -10.405415     -1.907728      2.315258
  C      -9.690436     -2.108862      3.518018
  C      -8.696632     -1.232908      3.896245
  C      -8.376295     -0.120124      3.078063
  H      -2.664598      0.586955      2.635191
  H      -1.424454     -0.393918      3.440762
  H      -3.910856     -1.404414      4.391407
  H      -2.827490     -2.215161      3.284070
  H      -5.381965      0.536657     -0.238697
  H      -8.095428     -3.109178      0.226094
  H      -8.317039     -4.927152      1.915930
  H      -6.660821     -5.111953      3.777405
  H      -4.850887     -3.454135      4.008982
  H      -5.157777      4.904362      5.846911
  H      -4.090394      5.637823      7.066046
  H      -4.956430      7.308058      5.562355
  H      -3.190603      7.206741      5.328777
  H      -6.950865      5.305466      1.983965
  H      -3.049932      4.937660     -0.379820
  H      -0.640521      5.456516      0.089142
  H       0.014514      6.447515      2.274149
  H      -1.680914      6.889481      4.009700
  H      -7.137997      1.825093      6.209643
  H      -6.754657      2.817674      4.788966
  H      -5.360974      0.597435      4.118215
  H      -6.584322     -0.195614      5.116454
  H      -7.655995      2.815406      0.784881
  H     -10.695271     -0.631064      0.592938
  H     -11.147645     -2.647563      2.012555
  H      -9.912344     -2.979038      4.136606
  H      -8.133714     -1.417150      4.810767
  N      -3.952569      2.749962      3.173064
  N      -4.337905      2.661825      1.841388
  H      -3.533921      2.454180      1.229204
  H      -5.069826      1.921524      1.741067
  H      -4.767442      3.554245      1.488369
91
Coordinates from ORCA-job orca E -6141.619768943387
  N      -2.616019      0.736943      4.699228
  Mo     -3.489788      2.546172      4.888492
  N      -5.109256      2.250061      5.950258
  C      -4.995355      2.288497      7.403539
  C      -3.699183      1.596286      7.808074
  N      -2.572580      2.152625      7.002927
  C      -1.477154      1.176934      6.814324
  C      -1.904981      0.118761      5.817688
  C      -2.053024      3.431136      7.584278
  C      -1.922653      4.453377      6.452266
  N      -3.138294      4.386764      5.657384
  H      -1.003913     -0.408168      5.456137
  H      -2.532606     -0.651871      6.309960
  H      -0.626595      1.735399      6.396805
  H      -1.168007      0.739266      7.780206
  H      -1.775449      5.462761      6.876043
  H      -1.033817      4.236558      5.836181
  H      -2.775048      3.793927      8.329102
  H      -1.100421      3.240785      8.104843
  H      -5.847414      1.770540      7.875115
  H      -5.003662      3.329781      7.777174
  H      -3.778066      0.524700      7.581764
  H      -3.488837      1.710423      8.885185
  C      -2.444339     -0.031753      3.462390
  C      -3.372163     -1.268323      3.396941
  C      -4.428616     -1.261377      2.313321
  N      -4.416300     -0.294199      1.404442
  C      -5.352020     -0.340174      0.412810
  N      -6.295244     -1.234450      0.237851
  C      -6.358494     -2.225887      1.179561
  C      -7.391691     -3.185686      1.086947
  C      -7.510475     -4.165943      2.049559
  C      -6.584918     -4.243016      3.115082
  C      -5.555527     -3.326647      3.219402
  C      -5.424464     -2.290835      2.261864
  C      -4.165491      5.352468      6.010699
  C      -4.142215      6.676866      5.207055
  C      -4.398741      6.359059      3.770392
  N      -5.658802      6.047846      3.463774
  C      -5.890690      5.526965      2.239206
  N      -4.998696      5.289981      1.289179
  C      -3.706773      5.670458      1.552543
  C      -2.705527      5.408705      0.587664
  C      -1.390205      5.728922      0.858353
  C      -1.031228      6.310739      2.096007
  C      -1.988253      6.550631      3.061320
  C      -3.346581      6.232627      2.814308
  C      -6.410318      1.956367      5.354567
  C      -6.385115      0.680800      4.471856
  C      -7.306122      0.763629      3.289479
  N      -7.029117      1.728271      2.408159
  C      -7.876065      1.887740      1.356327
  N      -8.909992      1.139179      1.041477
  C      -9.163805      0.085215      1.876442
  C     -10.198995     -0.820671      1.543638
  C     -10.471511     -1.891620      2.369814
  C      -9.749530     -2.077147      3.571475
  C      -8.733612     -1.212982      3.919231
  C      -8.398025     -0.126853      3.071014
  H      -2.644841      0.603196      2.595635
  H      -1.393416     -0.364643      3.397232
  H      -3.877240     -1.379481      4.370179
  H      -2.789649     -2.197039      3.275484
  H      -5.296418      0.471815     -0.322098
  H      -8.095901     -3.101743      0.258725
  H      -8.342303     -4.871399      1.999994
  H      -6.689497     -5.029924      3.863777
  H      -4.850613     -3.397433      4.048504
  H      -5.157107      4.898459      5.855378
  H      -4.095239      5.615959      7.083556
  H      -4.962074      7.303834      5.587013
  H      -3.196357      7.211443      5.360085
  H      -6.920545      5.214791      2.029028
  H      -3.004802      4.939977     -0.351313
  H      -0.616712      5.533871      0.113412
  H       0.012418      6.563745      2.288208
  H      -1.695705      6.979470      4.019145
  H      -7.149586      1.824914      6.161343
  H      -6.744270      2.806371      4.738807
  H      -5.359571      0.580483      4.085763
  H      -6.584424     -0.206928      5.083679
  H      -7.654301      2.745236      0.708308
  H     -10.750258     -0.651964      0.617660
  H     -11.235651     -2.619330      2.092282
  H      -9.986346     -2.924890      4.216091
  H      -8.169261     -1.383858      4.835621
  N      -3.933165      2.767517      3.153470
  N      -4.329847      2.634645      1.825059
  H      -3.524930      2.408473      1.220411
  H      -5.057614      1.885630      1.750742
  H      -4.765251      3.523489      1.450662
91
Coordinates from ORCA-job orca E -6141.622292206390
  N      -2.566210      0.750985      4.688687
  Mo     -3.471552      2.539290      4.884275
  N      -5.103301      2.231154      5.925661
  C      -5.012073      2.258792      7.380918
  C      -3.719804      1.568336      7.799543
  N      -2.583432      2.131229      7.015859
  C      -1.484772      1.157522      6.836801
  C      -1.891176      0.114612      5.818100
  C      -2.070938      3.407831      7.606483
  C      -1.910939      4.426471      6.476867
  N      -3.115167      4.374981      5.664713
  H      -0.983143     -0.413082      5.474423
  H      -2.536794     -0.658862      6.281564
  H      -0.624850      1.719807      6.444568
  H      -1.193959      0.705474      7.801762
  H      -1.755642      5.434382      6.901815
  H      -1.016372      4.199248      5.873274
  H      -2.808188      3.775190      8.334126
  H      -1.131511      3.214260      8.149857
  H      -5.870320      1.736983      7.836470
  H      -5.027802      3.297765      7.760865
  H      -3.792268      0.498645      7.561793
  H      -3.526336      1.672676      8.880871
  C      -2.392730     -0.025742      3.458503
  C      -3.324280     -1.260365      3.396071
  C      -4.367682     -1.265089      2.301185
  N      -4.318951     -0.330803      1.360363
  C      -5.247933     -0.385167      0.361936
  N      -6.217374     -1.256429      0.211691
  C      -6.315391     -2.214105      1.184504
  C      -7.375251     -3.147379      1.116404
  C      -7.524702     -4.094136      2.107871
  C      -6.606519     -4.162980      3.180822
  C      -5.554047     -3.271252      3.263611
  C      -5.389495     -2.269604      2.274743
  C      -4.147116      5.333047      6.031280
  C      -4.132498      6.662566      5.233921
  C      -4.414566      6.344488      3.801186
  N      -5.679170      6.023255      3.524640
  C      -5.935134      5.492014      2.310071
  N      -5.061885      5.254159      1.343406
  C      -3.769519      5.655166      1.569823
  C      -2.791388      5.413624      0.576979
  C      -1.474997      5.757993      0.810756
  C      -1.091566      6.347312      2.037578
  C      -2.026609      6.574708      3.027261
  C      -3.385522      6.230831      2.818970
  C      -6.396171      1.942625      5.309080
  C      -6.370189      0.659474      4.438168
  C      -7.287253      0.740526      3.253155
  N      -6.988329      1.683445      2.357016
  C      -7.833528      1.849649      1.304978
  N      -8.887620      1.123581      1.003616
  C      -9.167494      0.089903      1.855457
  C     -10.228987     -0.791090      1.540326
  C     -10.533751     -1.836315      2.388305
  C      -9.816573     -2.019641      3.593095
  C      -8.773179     -1.180940      3.922859
  C      -8.405277     -0.122250      3.053147
  H      -2.588862      0.605526      2.587681
  H      -1.342338     -0.360901      3.395159
  H      -3.840616     -1.359421      4.364328
  H      -2.743173     -2.192341      3.291228
  H      -5.161033      0.398235     -0.400056
  H      -8.072825     -3.071464      0.281827
  H      -8.372775     -4.780934      2.076483
  H      -6.735721     -4.923936      3.952075
  H      -4.855191     -3.336123      4.098186
  H      -5.139371      4.879942      5.878439
  H      -4.074148      5.586176      7.106467
  H      -4.945784      7.291394      5.625187
  H      -3.185093      7.195881      5.376948
  H      -6.966311      5.167697      2.125944
  H      -3.105263      4.949151     -0.359795
  H      -0.720085      5.578517      0.043324
  H      -0.047834      6.619721      2.200089
  H      -1.716715      7.017113      3.973052
  H      -7.151359      1.827067      6.103497
  H      -6.710718      2.789047      4.678302
  H      -5.341943      0.553391      4.060163
  H      -6.577413     -0.222918      5.054664
  H      -7.594542      2.693220      0.645511
  H     -10.777174     -0.622736      0.612528
  H     -11.322813     -2.542404      2.125543
  H     -10.080309     -2.844945      4.256196
  H      -8.215272     -1.349562      4.843323
  N      -3.876756      2.780117      3.139177
  N      -4.278670      2.621245      1.812092
  H      -3.476275      2.371278      1.214204
  H      -5.016520      1.880799      1.751599
  H      -4.700128      3.518650      1.427531
91
Coordinates from ORCA-job orca E -6141.624878876460
  N      -2.530827      0.784165      4.655576
  Mo     -3.482143      2.539357      4.869582
  N      -5.111465      2.202633      5.909116
  C      -5.029024      2.213925      7.365180
  C      -3.730048      1.536868      7.782391
  N      -2.599589      2.120548      7.010149
  C      -1.488976      1.160818      6.826965
  C      -1.873411      0.131890      5.786272
  C      -2.102662      3.398331      7.609472
  C      -1.925052      4.413994      6.481889
  N      -3.120193      4.371899      5.655170
  H      -0.957344     -0.386902      5.449703
  H      -2.524306     -0.651900      6.224197
  H      -0.629760      1.736751      6.453764
  H      -1.202403      0.694116      7.786250
  H      -1.762928      5.421379      6.905720
  H      -1.027355      4.178597      5.886268
  H      -2.854736      3.764135      8.322782
  H      -1.172653      3.209472      8.171049
  H      -5.883060      1.677524      7.811183
  H      -5.059549      3.248780      7.755377
  H      -3.788491      0.469289      7.530579
  H      -3.543517      1.629638      8.865987
  C      -2.365865      0.006677      3.425238
  C      -3.283335     -1.238691      3.371359
  C      -4.325791     -1.253876      2.277022
  N      -4.255983     -0.341626      1.316377
  C      -5.186474     -0.396487      0.319323
  N      -6.179501     -1.245374      0.192694
  C      -6.296032     -2.181888      1.183882
  C      -7.376155     -3.093741      1.135315
  C      -7.537433     -4.024950      2.139103
  C      -6.614901     -4.096444      3.208965
  C      -5.546385     -3.223153      3.275667
  C      -5.366221     -2.239290      2.271269
  C      -4.160393      5.323167      6.021948
  C      -4.143980      6.657639      5.229654
  C      -4.403454      6.346070      3.789420
  N      -5.658515      6.005523      3.493897
  C      -5.885527      5.459616      2.279909
  N      -4.990515      5.222528      1.333105
  C      -3.710665      5.650935      1.573644
  C      -2.713242      5.422664      0.597127
  C      -1.408741      5.799641      0.845772
  C      -1.056151      6.409870      2.071840
  C      -2.010885      6.627287      3.044754
  C      -3.358884      6.249959      2.821484
  C      -6.403195      1.910533      5.291218
  C      -6.374356      0.622602      4.426747
  C      -7.294170      0.693590      3.244470
  N      -6.987813      1.614315      2.329833
  C      -7.835937      1.775032      1.279241
  N      -8.904013      1.060788      0.998650
  C      -9.196446      0.049732      1.873144
  C     -10.279298     -0.814527      1.586282
  C     -10.601981     -1.831580      2.461892
  C      -9.878293     -2.004687      3.663986
  C      -8.812833     -1.183233      3.965911
  C      -8.429610     -0.151936      3.070223
  H      -2.580075      0.635627      2.556880
  H      -1.312610     -0.315755      3.346199
  H      -3.796055     -1.340778      4.340800
  H      -2.692838     -2.165185      3.267358
  H      -5.082362      0.367791     -0.459100
  H      -8.075788     -3.017675      0.302464
  H      -8.394546     -4.700656      2.119906
  H      -6.753778     -4.845591      3.989968
  H      -4.844100     -3.291239      4.107061
  H      -5.149972      4.868527      5.857761
  H      -4.097662      5.569255      7.099098
  H      -4.965069      7.281789      5.612156
  H      -3.200740      7.193275      5.388553
  H      -6.908489      5.120605      2.077947
  H      -2.999954      4.948866     -0.344232
  H      -0.639901      5.630895      0.089939
  H      -0.021393      6.707412      2.246513
  H      -1.725485      7.090598      3.988220
  H      -7.163018      1.800447      6.082045
  H      -6.712804      2.753291      4.653354
  H      -5.345810      0.522986      4.047661
  H      -6.576577     -0.257474      5.048007
  H      -7.587315      2.601545      0.602380
  H     -10.832928     -0.653505      0.660478
  H     -11.414421     -2.519595      2.223968
  H     -10.157116     -2.806157      4.349761
  H      -8.252925     -1.342005      4.886841
  N      -3.888361      2.797090      3.130411
  N      -4.340623      2.604403      1.820844
  H      -3.559283      2.343889      1.200908
  H      -5.083711      1.865623      1.800106
  H      -4.774085      3.504956      1.443727
91
Coordinates from ORCA-job orca E -6141.627317523987
  N      -2.500013      0.801445      4.648437
  Mo     -3.481516      2.534752      4.867437
  N      -5.114163      2.184333      5.897596
  C      -5.044702      2.189912      7.354682
  C      -3.744903      1.519734      7.780924
  N      -2.613140      2.110341      7.018917
  C      -1.497219      1.155817      6.840940
  C      -1.863941      0.136654      5.784188
  C      -2.124846      3.388005      7.622810
  C      -1.927066      4.397828      6.493884
  N      -3.113371      4.364680      5.652726
  H      -0.942738     -0.380111      5.458622
  H      -2.524075     -0.650344      6.201773
  H      -0.634584      1.737295      6.484966
  H      -1.221003      0.679576      7.798482
  H      -1.757275      5.405362      6.913868
  H      -1.027245      4.149922      5.906767
  H      -2.889173      3.758416      8.320521
  H      -1.205240      3.201419      8.202107
  H      -5.899020      1.647367      7.792284
  H      -5.085108      3.223577      7.747240
  H      -3.797024      0.452802      7.524360
  H      -3.568591      1.608652      8.866478
  C      -2.334558      0.025459      3.417393
  C      -3.245287     -1.224388      3.358220
  C      -4.277023     -1.246245      2.253872
  N      -4.182413     -0.355221      1.275219
  C      -5.107566     -0.411941      0.273980
  N      -6.118826     -1.241339      0.160438
  C      -6.258138     -2.156981      1.167661
  C      -7.356158     -3.048197      1.130827
  C      -7.536533     -3.961601      2.147341
  C      -6.617305     -4.034309      3.220072
  C      -5.534076     -3.179522      3.277117
  C      -5.333220     -2.214109      2.258957
  C      -4.155005      5.315014      6.022774
  C      -4.136021      6.650982      5.232685
  C      -4.402445      6.346258      3.792231
  N      -5.659481      6.007308      3.502954
  C      -5.893414      5.460924      2.291260
  N      -5.002306      5.219342      1.342424
  C      -3.721816      5.648392      1.574638
  C      -2.730947      5.416795      0.593461
  C      -1.425922      5.798526      0.831145
  C      -1.066897      6.416250      2.051659
  C      -2.015560      6.635881      3.029908
  C      -3.363711      6.253234      2.817929
  C      -6.401232      1.890582      5.272936
  C      -6.367710      0.591833      4.423669
  C      -7.285355      0.654115      3.240742
  N      -6.963570      1.555550      2.312601
  C      -7.808742      1.720594      1.261029
  N      -8.890996      1.024220      0.992674
  C      -9.202567      0.032052      1.882235
  C     -10.305368     -0.811179      1.610768
  C     -10.651624     -1.804729      2.504049
  C      -9.931153     -1.974977      3.708143
  C      -8.845705     -1.174450      3.995128
  C      -8.439307     -0.168349      3.081864
  H      -2.551197      0.656156      2.551030
  H      -1.279923     -0.291967      3.335745
  H      -3.765333     -1.328009      4.323196
  H      -2.647793     -2.146862      3.259166
  H      -4.983519      0.332236     -0.520297
  H      -8.051912     -2.972453      0.294819
  H      -8.403886     -4.623917      2.135461
  H      -6.771089     -4.769756      4.011070
  H      -4.834664     -3.248492      4.110753
  H      -5.145398      4.862638      5.857187
  H      -4.090272      5.558409      7.099918
  H      -4.951821      7.279894      5.618459
  H      -3.187991      7.178396      5.390603
  H      -6.917103      5.122365      2.091898
  H      -3.022661      4.939556     -0.344314
  H      -0.662343      5.627678      0.070684
  H      -0.031899      6.716951      2.218296
  H      -1.725306      7.106143      3.968475
  H      -7.171577      1.793994      6.055182
  H      -6.698443      2.726768      4.620900
  H      -5.338362      0.493412      4.046819
  H      -6.569801     -0.281930      5.053800
  H      -7.545273      2.535208      0.575545
  H     -10.857114     -0.651643      0.683744
  H     -11.483592     -2.473445      2.279727
  H     -10.229609     -2.756234      4.408611
  H      -8.288948     -1.330175      4.918524
  N      -3.882388      2.805280      3.127597
  N      -4.374895      2.592756      1.832815
  H      -3.615640      2.304351      1.197968
  H      -5.143149      1.876196      1.845654
  H      -4.795438      3.498537      1.453918
91
Coordinates from ORCA-job orca E -6141.629921433389
  N      -2.459187      0.805139      4.662034
  Mo     -3.468033      2.519699      4.872935
  N      -5.109023      2.161184      5.884747
  C      -5.057455      2.168763      7.343672
  C      -3.759564      1.505568      7.790094
  N      -2.622068      2.096804      7.039276
  C      -1.501616      1.144596      6.875411
  C      -1.848083      0.130895      5.805892
  C      -2.142929      3.375575      7.644361
  C      -1.922283      4.376714      6.511319
  N      -3.097745      4.347275      5.651498
  H      -0.922329     -0.386581      5.495347
  H      -2.519283     -0.655545      6.206038
  H      -0.633774      1.728736      6.537286
  H      -1.240947      0.663071      7.834480
  H      -1.747676      5.385855      6.924147
  H      -1.019545      4.114108      5.935243
  H      -2.921361      3.754213      8.321573
  H      -1.236071      3.193957      8.244750
  H      -5.913901      1.622932      7.772692
  H      -5.109033      3.203616      7.731930
  H      -3.807624      0.437609      7.536109
  H      -3.599212      1.597242      8.877723
  C      -2.289217      0.035057      3.427126
  C      -3.200608     -1.213279      3.352920
  C      -4.217209     -1.233232      2.233190
  N      -4.091289     -0.364114      1.237651
  C      -5.007617     -0.417941      0.230041
  N      -6.040505     -1.221932      0.124715
  C      -6.209962     -2.115078      1.146686
  C      -7.330884     -2.978010      1.118093
  C      -7.539165     -3.871535      2.146529
  C      -6.626551     -3.951274      3.224223
  C      -5.523737     -3.122754      3.274581
  C      -5.293845     -2.177419      2.244213
  C      -4.141712      5.297758      6.021475
  C      -4.127539      6.631878      5.229617
  C      -4.414549      6.336330      3.791883
  N      -5.677256      6.002593      3.518767
  C      -5.932087      5.467674      2.306886
  N      -5.055737      5.228853      1.344401
  C      -3.770004      5.648957      1.562140
  C      -2.795715      5.411474      0.567369
  C      -1.486001      5.788656      0.784525
  C      -1.107141      6.406168      1.999216
  C      -2.039031      6.627153      2.992949
  C      -3.390626      6.247864      2.802101
  C      -6.389827      1.864083      5.252915
  C      -6.352348      0.547879      4.427665
  C      -7.266621      0.604166      3.244092
  N      -6.920057      1.483867      2.303140
  C      -7.756335      1.665006      1.248575
  N      -8.856644      0.996943      0.988514
  C      -9.196303      0.023848      1.889475
  C     -10.322964     -0.789414      1.626502
  C     -10.701012     -1.759898      2.531690
  C      -9.989518     -1.936394      3.739931
  C      -8.881052     -1.165134      4.019179
  C      -8.442955     -0.185237      3.093646
  H      -2.498504      0.672893      2.564641
  H      -1.234368     -0.283107      3.349473
  H      -3.733691     -1.316978      4.310212
  H      -2.599937     -2.133855      3.258838
  H      -4.858828      0.302848     -0.581011
  H      -8.019688     -2.897464      0.276917
  H      -8.421779     -4.512974      2.138541
  H      -6.801804     -4.671161      4.024853
  H      -4.829997     -3.196312      4.112459
  H      -5.132201      4.843605      5.860442
  H      -4.068786      5.544669      7.096479
  H      -4.935115      7.264946      5.625196
  H      -3.172535      7.150353      5.377809
  H      -6.958257      5.129665      2.115971
  H      -3.107094      4.932460     -0.362137
  H      -0.735125      5.613615      0.012673
  H      -0.068931      6.703299      2.150629
  H      -1.732567      7.095625      3.927480
  H      -7.173418      1.787437      6.023807
  H      -6.670929      2.689633      4.580717
  H      -5.322717      0.446004      4.053138
  H      -6.558103     -0.315264      5.071080
  H      -7.467522      2.469603      0.560881
  H     -10.868337     -0.624918      0.696743
  H     -11.554593     -2.403415      2.315552
  H     -10.314025     -2.698002      4.450058
  H      -8.330118     -1.324912      4.945591
  N      -3.858030      2.802853      3.128918
  N      -4.403148      2.581372      1.854056
  H      -3.674030      2.267345      1.195788
  H      -5.207378      1.893377      1.906786
  H      -4.808338      3.487017      1.475205
91
Coordinates from ORCA-job orca E -6141.632195507446
  N      -2.432474      0.817318      4.667498
  Mo     -3.465555      2.514667      4.876437
  N      -5.112066      2.148284      5.875363
  C      -5.072548      2.151743      7.335776
  C      -3.776142      1.493096      7.794056
  N      -2.634889      2.087479      7.053592
  C      -1.510445      1.138533      6.896885
  C      -1.840506      0.132660      5.814715
  C      -2.163477      3.366904      7.661431
  C      -1.922716      4.361491      6.526846
  N      -3.089199      4.339246      5.652471
  H      -0.910733     -0.383596      5.513954
  H      -2.519129     -0.655504      6.198645
  H      -0.639567      1.726845      6.574298
  H      -1.260904      0.650064      7.855320
  H      -1.742069      5.371374      6.934799
  H      -1.017975      4.086283      5.960017
  H      -2.953097      3.751082      8.322486
  H      -1.267581      3.187760      8.278819
  H      -5.930284      1.601503      7.756489
  H      -5.132782      3.185858      7.724614
  H      -3.819656      0.425002      7.538995
  H      -3.627325      1.583901      8.883387
  C      -2.257740      0.054261      3.429106
  C      -3.163464     -1.197354      3.342873
  C      -4.168771     -1.217354      2.212963
  N      -4.021488     -0.362315      1.208072
  C      -4.931919     -0.412824      0.195924
  N      -5.979780     -1.198722      0.094434
  C      -6.169258     -2.078582      1.124109
  C      -7.304400     -2.923549      1.098545
  C      -7.529631     -3.806985      2.132087
  C      -6.621311     -3.893456      3.213075
  C      -5.506626     -3.081282      3.261711
  C      -5.258765     -2.146276      2.225769
  C      -4.133703      5.292186      6.019119
  C      -4.115445      6.622941      5.223750
  C      -4.412507      6.329542      3.787629
  N      -5.678645      6.002248      3.522131
  C      -5.944586      5.473394      2.310087
  N      -5.075911      5.230704      1.341386
  C      -3.785952      5.640686      1.553328
  C      -2.818535      5.393315      0.554213
  C      -1.505636      5.764310      0.762326
  C      -1.117141      6.384679      1.972491
  C      -2.041404      6.612398      2.971807
  C      -3.395710      6.238498      2.790825
  C      -6.389245      1.851878      5.237177
  C      -6.347788      0.525873      4.425068
  C      -7.264219      0.573088      3.243183
  N      -6.910160      1.435295      2.287771
  C      -7.749068      1.620203      1.235774
  N      -8.860887      0.967041      0.990940
  C      -9.209301      0.009054      1.904606
  C     -10.350062     -0.789140      1.657387
  C     -10.738448     -1.742667      2.576139
  C     -10.022989     -1.917056      3.782483
  C      -8.900883     -1.159984      4.046610
  C      -8.453168     -0.198347      3.107172
  H      -2.464515      0.698345      2.570703
  H      -1.201200     -0.259484      3.353769
  H      -3.705001     -1.306784      4.294365
  H      -2.556334     -2.113907      3.250426
  H      -4.765763      0.293277     -0.624660
  H      -7.988590     -2.838504      0.253954
  H      -8.420943     -4.436255      2.124572
  H      -6.809534     -4.605835      4.017542
  H      -4.816250     -3.160320      4.101835
  H      -5.124849      4.838862      5.858991
  H      -4.058847      5.542794      7.092920
  H      -4.916301      7.262605      5.622620
  H      -3.154890      7.132907      5.366211
  H      -6.973823      5.143268      2.121669
  H      -3.140309      4.910745     -0.369763
  H      -0.760033      5.581730     -0.012926
  H      -0.076598      6.677265      2.117044
  H      -1.726702      7.081904      3.903096
  H      -7.181860      1.787145      5.999800
  H      -6.658951      2.670895      4.552830
  H      -5.318551      0.425563      4.049317
  H      -6.550692     -0.331533      5.076914
  H      -7.451187      2.414811      0.540575
  H     -10.898635     -0.626390      0.729165
  H     -11.605476     -2.372458      2.373421
  H     -10.356125     -2.664689      4.503406
  H      -8.346020     -1.317382      4.971222
  N      -3.848936      2.807350      3.131288
  N      -4.445396      2.573015      1.879351
  H      -3.746577      2.224778      1.205706
  H      -5.283692      1.916125      1.977551
  H      -4.834013      3.477711      1.491087
91
Coordinates from ORCA-job orca E -6141.634088184892
  N      -2.405223      0.826083      4.679178
  Mo     -3.461657      2.508810      4.882284
  N      -5.117665      2.136959      5.862501
  C      -5.089949      2.135413      7.324855
  C      -3.797778      1.478385      7.797518
  N      -2.649952      2.075475      7.071117
  C      -1.520611      1.130480      6.923386
  C      -1.832214      0.131703      5.828902
  C      -2.190556      3.356425      7.683528
  C      -1.927808      4.345568      6.549301
  N      -3.082933      4.329808      5.657253
  H      -0.898068     -0.382628      5.538164
  H      -2.516916     -0.658182      6.198493
  H      -0.647238      1.724118      6.617731
  H      -1.284061      0.635981      7.881980
  H      -1.744526      5.356500      6.953157
  H      -1.018987      4.059150      5.994802
  H      -2.993840      3.744254      8.325838
  H      -1.307665      3.180635      8.320358
  H      -5.950434      1.581513      7.735479
  H      -5.158080      3.168551      7.714679
  H      -3.836698      0.409920      7.542448
  H      -3.663601      1.569104      8.888840
  C      -2.223421      0.077369      3.433118
  C      -3.125257     -1.175906      3.329037
  C      -4.123329     -1.189360      2.192289
  N      -3.962485     -0.341718      1.183083
  C      -4.870821     -0.385899      0.169611
  N      -5.930608     -1.156961      0.069566
  C      -6.132977     -2.030507      1.102047
  C      -7.278102     -2.862769      1.077713
  C      -7.512971     -3.743465      2.111729
  C      -6.605610     -3.839009      3.192833
  C      -5.482351     -3.038560      3.241120
  C      -5.224290     -2.106447      2.204484
  C      -4.127487      5.288583      6.012456
  C      -4.100161      6.613274      5.210814
  C      -4.405148      6.322011      3.775681
  N      -5.675485      6.007456      3.514328
  C      -5.953386      5.494871      2.297645
  N      -5.093613      5.250336      1.320854
  C      -3.796513      5.638032      1.534129
  C      -2.834099      5.377194      0.532419
  C      -1.515963      5.730460      0.737637
  C      -1.117271      6.345453      1.947118
  C      -2.034794      6.581993      2.950628
  C      -3.394046      6.224862      2.773623
  C      -6.393423      1.844273      5.220640
  C      -6.350340      0.508393      4.422842
  C      -7.274399      0.544967      3.246726
  N      -6.923225      1.394711      2.277483
  C      -7.769088      1.580524      1.230503
  N      -8.888933      0.936325      1.004037
  C      -9.236281     -0.011055      1.929118
  C     -10.386942     -0.800446      1.700111
  C     -10.774090     -1.743319      2.630386
  C     -10.046952     -1.916240      3.830551
  C      -8.915664     -1.166709      4.077158
  C      -8.470634     -0.215635      3.125758
  H      -2.425618      0.733221      2.582587
  H      -1.165087     -0.232168      3.361206
  H      -3.673389     -1.296249      4.275122
  H      -2.512607     -2.088531      3.232815
  H      -4.692516      0.310630     -0.657026
  H      -7.960183     -2.771039      0.231884
  H      -8.410275     -4.364372      2.102691
  H      -6.800851     -4.549763      3.997242
  H      -4.792275     -3.125545      4.080695
  H      -5.119074      4.835938      5.852071
  H      -4.054159      5.546306      7.084776
  H      -4.893948      7.261059      5.611263
  H      -3.133947      7.114187      5.348154
  H      -6.987529      5.179763      2.109847
  H      -3.169659      4.894872     -0.386861
  H      -0.773804      5.537480     -0.038587
  H      -0.072634      6.625127      2.089178
  H      -1.710760      7.044412      3.882225
  H      -7.192024      1.792140      5.977861
  H      -6.654529      2.656287      4.524956
  H      -5.322796      0.409980      4.042226
  H      -6.546598     -0.343630      5.083297
  H      -7.469082      2.368153      0.528775
  H     -10.944300     -0.639789      0.776655
  H     -11.650534     -2.365008      2.443009
  H     -10.379268     -2.655986      4.560048
  H      -8.350414     -1.321731      4.995933
  N      -3.820168      2.809639      3.131852
  N      -4.465322      2.568954      1.902366
  H      -3.792512      2.186521      1.221117
  H      -5.342820      1.938443      2.039550
  H      -4.836958      3.464845      1.494975
91
Coordinates from ORCA-job orca E -6141.635647515820
  N      -2.401122      0.854199      4.660740
  Mo     -3.479668      2.518998      4.880694
  N      -5.129464      2.131206      5.867863
  C      -5.100642      2.119071      7.329533
  C      -3.803977      1.467614      7.793670
  N      -2.662096      2.076201      7.069440
  C      -1.527319      1.139961      6.913048
  C      -1.831738      0.151081      5.807392
  C      -2.210159      3.357963      7.686009
  C      -1.940648      4.345551      6.553191
  N      -3.093589      4.338873      5.659282
  H      -0.894029     -0.357043      5.516386
  H      -2.515002     -0.645425      6.165287
  H      -0.656705      1.741481      6.615033
  H      -1.288373      0.636364      7.866403
  H      -1.750359      5.355471      6.957038
  H      -1.032311      4.053847      6.000730
  H      -3.018555      3.743409      8.323368
  H      -1.331192      3.183342      8.329032
  H      -5.957396      1.556972      7.736771
  H      -5.174705      3.148753      7.727465
  H      -3.834971      0.400595      7.531380
  H      -3.668002      1.551888      8.885466
  C      -2.217119      0.108654      3.413989
  C      -3.109472     -1.150966      3.308106
  C      -4.104925     -1.169521      2.170628
  N      -3.934204     -0.331504      1.155380
  C      -4.838796     -0.378930      0.137525
  N      -5.904635     -1.142258      0.041806
  C      -6.116743     -2.006287      1.080603
  C      -7.266285     -2.832840      1.058538
  C      -7.506141     -3.708322      2.095906
  C      -6.602005     -3.801998      3.180107
  C      -5.475855     -3.005394      3.227596
  C      -5.211180     -2.080199      2.186236
  C      -4.137121      5.299261      6.011520
  C      -4.094299      6.622730      5.207121
  C      -4.392334      6.325065      3.771014
  N      -5.662740      6.019017      3.502248
  C      -5.934834      5.500903      2.286492
  N      -5.069129      5.240483      1.318948
  C      -3.771251      5.619957      1.538769
  C      -2.802089      5.346526      0.546628
  C      -1.483516      5.692959      0.760207
  C      -1.090182      6.314321      1.968244
  C      -2.014757      6.564412      2.962003
  C      -3.375246      6.214502      2.776589
  C      -6.403477      1.836690      5.222909
  C      -6.355696      0.499144      4.430664
  C      -7.278662      0.523231      3.254108
  N      -6.927149      1.362651      2.277528
  C      -7.772994      1.535184      1.227647
  N      -8.895616      0.891254      1.010175
  C      -9.246548     -0.042493      1.947471
  C     -10.403174     -0.826827      1.731771
  C     -10.794143     -1.754863      2.675532
  C     -10.062155     -1.919456      3.874036
  C      -8.924856     -1.174761      4.107754
  C      -8.477910     -0.235726      3.144423
  H      -2.425582      0.764796      2.565001
  H      -1.156724     -0.192891      3.338304
  H      -3.657282     -1.278568      4.253434
  H      -2.490411     -2.059454      3.210701
  H      -4.650671      0.310103     -0.692973
  H      -7.945441     -2.744406      0.209935
  H      -8.403172     -4.329471      2.087595
  H      -6.801434     -4.509254      3.986565
  H      -4.787665     -3.092484      4.068723
  H      -5.129882      4.851602      5.845238
  H      -4.071664      5.556078      7.084735
  H      -4.883116      7.280826      5.600766
  H      -3.124801      7.115990      5.346846
  H      -6.971785      5.200780      2.093688
  H      -3.129962      4.861393     -0.374495
  H      -0.736185      5.489833     -0.008453
  H      -0.044967      6.588649      2.116318
  H      -1.695593      7.032751      3.892277
  H      -7.205961      1.788661      5.976369
  H      -6.660013      2.646058      4.522368
  H      -5.327316      0.405319      4.050535
  H      -6.545674     -0.351913      5.094245
  H      -7.472003      2.308358      0.511150
  H     -10.963324     -0.672774      0.808890
  H     -11.678249     -2.369094      2.499622
  H     -10.397238     -2.647376      4.614186
  H      -8.358447     -1.321950      5.026955
  N      -3.847403      2.822172      3.132691
  N      -4.513131      2.562113      1.914985
  H      -3.857973      2.134284      1.243654
  H      -5.409659      1.965095      2.068628
  H      -4.860271      3.465056      1.489043
91
Coordinates from ORCA-job orca E -6141.637243392448
  N      -2.397027      0.880581      4.651151
  Mo     -3.496924      2.530548      4.884339
  N      -5.144769      2.128921      5.871416
  C      -5.115681      2.102094      7.332762
  C      -3.816961      1.453336      7.791234
  N      -2.678528      2.075303      7.073777
  C      -1.535988      1.150517      6.910907
  C      -1.830600      0.170353      5.794312
  C      -2.242075      3.358605      7.698247
  C      -1.962394      4.347095      6.569845
  N      -3.108817      4.348383      5.668298
  H      -0.888840     -0.330586      5.503439
  H      -2.510992     -0.632351      6.143773
  H      -0.668933      1.761850      6.622737
  H      -1.296989      0.638385      7.859769
  H      -1.770104      5.356159      6.975451
  H      -1.051201      4.051745      6.024089
  H      -3.060865      3.738424      8.325472
  H      -1.370469      3.187279      8.352498
  H      -5.970385      1.531783      7.733234
  H      -5.195465      3.127257      7.741213
  H      -3.839371      0.387754      7.522369
  H      -3.683236      1.531472      8.884030
  C      -2.206429      0.148568      3.397812
  C      -3.091002     -1.115947      3.279327
  C      -4.088988     -1.133382      2.144591
  N      -3.922106     -0.294365      1.129665
  C      -4.828514     -0.343855      0.112176
  N      -5.892549     -1.109319      0.017356
  C      -6.101642     -1.974357      1.055909
  C      -7.247527     -2.805941      1.033675
  C      -7.480762     -3.686232      2.068700
  C      -6.575432     -3.777717      3.151941
  C      -5.453020     -2.975173      3.200287
  C      -5.194236     -2.046318      2.160512
  C      -4.148665      5.316438      6.006884
  C      -4.080966      6.634071      5.195192
  C      -4.368599      6.327824      3.758308
  N      -5.640937      6.041900      3.478602
  C      -5.910792      5.529875      2.259493
  N      -5.042261      5.251566      1.299232
  C      -3.738933      5.602611      1.533832
  C      -2.763582      5.307072      0.553254
  C      -1.440885      5.627115      0.781098
  C      -1.048440      6.244385      1.991537
  C      -1.978817      6.515719      2.974277
  C      -3.344385      6.192813      2.774453
  C      -6.418979      1.842367      5.223299
  C      -6.370763      0.507058      4.431475
  C      -7.304627      0.519800      3.263723
  N      -6.972637      1.360621      2.282059
  C      -7.827502      1.513665      1.235591
  N      -8.946042      0.856987      1.032768
  C      -9.281858     -0.071625      1.980275
  C     -10.435997     -0.864463      1.782544
  C     -10.808651     -1.790603      2.735599
  C     -10.058187     -1.946502      3.924301
  C      -8.923586     -1.192716      4.140548
  C      -8.497373     -0.251622      3.168844
  H      -2.417446      0.813105      2.555869
  H      -1.143927     -0.145198      3.320266
  H      -3.635911     -1.259290      4.224039
  H      -2.464834     -2.018669      3.171794
  H      -4.639806      0.344845     -0.718474
  H      -7.927557     -2.719512      0.185490
  H      -8.372956     -4.314335      2.059268
  H      -6.769838     -4.488961      3.956127
  H      -4.763023     -3.062550      4.039837
  H      -5.143082      4.875605      5.832847
  H      -4.093945      5.577401      7.080071
  H      -4.862666      7.307414      5.577296
  H      -3.106365      7.115764      5.338582
  H      -6.954081      5.259599      2.060098
  H      -3.090795      4.824305     -0.369662
  H      -0.688272      5.406143      0.022493
  H       0.000422      6.498595      2.149902
  H      -1.660420      6.979476      3.906986
  H      -7.223870      1.798442      5.974513
  H      -6.670300      2.652665      4.521814
  H      -5.345111      0.422028      4.041487
  H      -6.545314     -0.346733      5.095812
  H      -7.539163      2.277603      0.504881
  H     -11.008743     -0.718520      0.866097
  H     -11.692277     -2.409645      2.574480
  H     -10.377959     -2.674669      4.671016
  H      -8.343867     -1.332442      5.052463
  N      -3.858419      2.829707      3.131693
  N      -4.538861      2.552948      1.922711
  H      -3.893863      2.080135      1.271107
  H      -5.454621      1.973857      2.079850
  H      -4.863105      3.450914      1.468711
91
Coordinates from ORCA-job orca E -6141.638716343815
  N      -2.393222      0.904338      4.645080
  Mo     -3.511284      2.541189      4.889551
  N      -5.157003      2.125670      5.874666
  C      -5.130238      2.088625      7.335607
  C      -3.828586      1.444281      7.792105
  N      -2.693318      2.077358      7.079028
  C      -1.544309      1.161817      6.911431
  C      -1.830826      0.188307      5.786466
  C      -2.268902      3.361678      7.709063
  C      -1.981033      4.351710      6.584659
  N      -3.121435      4.357018      5.675584
  H      -0.886157     -0.307682      5.496860
  H      -2.509782     -0.618336      6.129344
  H      -0.679946      1.780466      6.631344
  H      -1.305231      0.642545      7.856410
  H      -1.788311      5.359835      6.992352
  H      -1.067093      4.054208      6.044529
  H      -3.096545      3.737474      8.326668
  H      -1.403738      3.193688      8.373000
  H      -5.982757      1.511102      7.730617
  H      -5.216562      3.110718      7.750894
  H      -3.844054      0.379660      7.519074
  H      -3.697136      1.518309      8.885591
  C      -2.194581      0.185375      3.384952
  C      -3.079179     -1.077962      3.248693
  C      -4.077498     -1.090295      2.113825
  N      -3.912602     -0.250313      1.098823
  C      -4.818870     -0.302119      0.080059
  N      -5.881566     -1.068583     -0.014415
  C      -6.089817     -1.933387      1.024299
  C      -7.233575     -2.767576      1.000887
  C      -7.463704     -3.650997      2.033964
  C      -6.558772     -3.740805      3.117375
  C      -5.438829     -2.934834      3.167183
  C      -5.182275     -2.004212      2.128696
  C      -4.155751      5.336007      6.000331
  C      -4.068627      6.648698      5.181932
  C      -4.343993      6.336013      3.744095
  N      -5.617551      6.064419      3.454177
  C      -5.883925      5.549877      2.235054
  N      -5.010694      5.251498      1.285679
  C      -3.704455      5.583315      1.532259
  C      -2.724670      5.265275      0.563846
  C      -1.399220      5.564457      0.802513
  C      -1.008102      6.183531      2.012814
  C      -1.943567      6.477830      2.983981
  C      -3.312461      6.177019      2.772074
  C      -6.429668      1.840462      5.221943
  C      -6.382853      0.503130      4.434822
  C      -7.329098      0.504230      3.276547
  N      -7.014097      1.343070      2.287328
  C      -7.872680      1.475162      1.241472
  N      -8.987215      0.807425      1.052687
  C      -9.311453     -0.112481      2.013003
  C     -10.464693     -0.911113      1.833368
  C     -10.823782     -1.831292      2.797178
  C     -10.058495     -1.977321      3.977892
  C      -8.925319     -1.217060      4.177158
  C      -8.515257     -0.278536      3.195898
  H      -2.400392      0.860179      2.550013
  H      -1.131878     -0.107554      3.308905
  H      -3.624158     -1.232848      4.191371
  H      -2.450515     -1.977784      3.131315
  H      -4.630605      0.386922     -0.750300
  H      -7.913313     -2.682122      0.152366
  H      -8.352541     -4.283761      2.022536
  H      -6.751022     -4.454027      3.920303
  H      -4.748936     -3.021887      4.006829
  H      -5.152468      4.903218      5.819389
  H      -4.108241      5.600082      7.073018
  H      -4.846311      7.333922      5.550476
  H      -3.090259      7.121024      5.332170
  H      -6.930837      5.296264      2.030255
  H      -3.051532      4.781469     -0.358095
  H      -0.642713      5.325304      0.053329
  H       0.043346      6.421019      2.179769
  H      -1.626602      6.941990      3.917086
  H      -7.237667      1.802472      5.970265
  H      -6.675883      2.649175      4.516694
  H      -5.360651      0.422053      4.034336
  H      -6.544427     -0.349895      5.103616
  H      -7.592971      2.230288      0.498017
  H     -11.047457     -0.774033      0.921898
  H     -11.708217     -2.452990      2.650983
  H     -10.366689     -2.702445      4.732395
  H      -8.335540     -1.347905      5.084044
  N      -3.873272      2.833895      3.135846
  N      -4.564519      2.539787      1.937016
  H      -3.934548      2.018259      1.304751
  H      -5.495459      1.982693      2.103234
  H      -4.859618      3.430601      1.456821
91
Coordinates from ORCA-job orca E -6141.640101685295
  N      -2.398520      0.929413      4.641918
  Mo     -3.529393      2.556827      4.898577
  N      -5.170248      2.128999      5.886043
  C      -5.142197      2.082794      7.346273
  C      -3.835813      1.444289      7.798372
  N      -2.706036      2.086980      7.084675
  C      -1.551619      1.179818      6.909901
  C      -1.834639      0.210055      5.780099
  C      -2.290312      3.372693      7.716994
  C      -1.997501      4.363974      6.594860
  N      -3.135238      4.369913      5.682250
  H      -0.888382     -0.281679      5.488873
  H      -2.510546     -0.599718      6.121564
  H      -0.691076      1.805001      6.633117
  H      -1.308915      0.655494      7.851150
  H      -1.804820      5.371238      7.004175
  H      -1.082065      4.065539      6.057561
  H      -3.125066      3.745566      8.326531
  H      -1.429812      3.208631      8.388110
  H      -5.990913      1.497876      7.738836
  H      -5.234554      3.102106      7.767274
  H      -3.845546      0.380214      7.523280
  H      -3.702664      1.516161      8.891787
  C      -2.195404      0.225082      3.374497
  C      -3.074846     -1.039756      3.221525
  C      -4.074219     -1.043849      2.088107
  N      -3.914595     -0.192761      1.080862
  C      -4.817152     -0.242893      0.058227
  N      -5.872246     -1.017272     -0.045729
  C      -6.077408     -1.892000      0.985681
  C      -7.214245     -2.734723      0.950828
  C      -7.440239     -3.630188      1.974527
  C      -6.538571     -3.721979      3.059937
  C      -5.425412     -2.907470      3.120843
  C      -5.172960     -1.965381      2.092139
  C      -4.163495      5.358985      5.990118
  C      -4.054046      6.663513      5.161902
  C      -4.320381      6.341626      3.724229
  N      -5.596569      6.099381      3.419255
  C      -5.859903      5.586156      2.198287
  N      -4.982711      5.259780      1.262427
  C      -3.671380      5.556238      1.526734
  C      -2.686650      5.205775      0.574381
  C      -1.357229      5.470001      0.830287
  C      -0.966626      6.086157      2.042343
  C      -1.907420      6.412657      2.997645
  C      -3.280690      6.147945      2.767837
  C      -6.443039      1.844494      5.233202
  C      -6.396653      0.506290      4.449767
  C      -7.354121      0.497576      3.300647
  N      -7.059469      1.342055      2.309458
  C      -7.921161      1.453841      1.264728
  N      -9.026808      0.769484      1.084481
  C      -9.335395     -0.148046      2.051977
  C     -10.482238     -0.958477      1.884123
  C     -10.822570     -1.881404      2.851667
  C     -10.043393     -2.020010      4.024240
  C      -8.917388     -1.246917      4.212828
  C      -8.528398     -0.302786      3.228655
  H      -2.399478      0.910637      2.547646
  H      -1.132048     -0.064269      3.297816
  H      -3.616117     -1.210998      4.163204
  H      -2.441147     -1.934011      3.089556
  H      -4.631492      0.455563     -0.764903
  H      -7.891593     -2.646679      0.100765
  H      -8.323080     -4.270968      1.953539
  H      -6.727626     -4.443827      3.855764
  H      -4.738158     -2.996920      3.962183
  H      -5.161964      4.933008      5.802140
  H      -4.124107      5.629445      7.061348
  H      -4.824230      7.363531      5.517337
  H      -3.069955      7.123429      5.315612
  H      -6.911427      5.362698      1.982312
  H      -3.013764      4.724454     -0.348488
  H      -0.596737      5.205247      0.093950
  H       0.088408      6.295863      2.222903
  H      -1.591323      6.873424      3.932798
  H      -7.252083      1.810974      5.980822
  H      -6.686915      2.651500      4.525246
  H      -5.378144      0.429891      4.038642
  H      -6.544530     -0.347172      5.121351
  H      -7.652536      2.204049      0.512806
  H     -11.074259     -0.828410      0.977692
  H     -11.702608     -2.511386      2.715085
  H     -10.335694     -2.749345      4.780916
  H      -8.317653     -1.371232      5.114167
  N      -3.902701      2.838900      3.145140
  N      -4.603378      2.530334      1.955840
  H      -3.992756      1.957123      1.345687
  H      -5.545725      1.994584      2.129429
  H      -4.866537      3.412503      1.449780
91
Coordinates from ORCA-job orca E -6141.641358236106
  N      -2.405233      0.955230      4.632940
  Mo     -3.549127      2.570577      4.903065
  N      -5.184804      2.127439      5.891641
  C      -5.156525      2.071334      7.351471
  C      -3.844079      1.440770      7.798877
  N      -2.720905      2.094220      7.085204
  C      -1.561272      1.194776      6.902657
  C      -1.839984      0.230416      5.766815
  C      -2.312066      3.379909      7.721114
  C      -2.014497      4.373219      6.602045
  N      -3.148891      4.379908      5.684662
  H      -0.891872     -0.256647      5.473521
  H      -2.513650     -0.583429      6.103276
  H      -0.704357      1.826368      6.629398
  H      -1.314151      0.664586      7.839510
  H      -1.822292      5.379306      7.014112
  H      -1.097422      4.075282      6.067186
  H      -3.153044      3.750628      8.323572
  H      -1.456211      3.218403      8.398920
  H      -6.000135      1.477401      7.741304
  H      -5.256642      3.087400      7.778741
  H      -3.847515      0.377918      7.518806
  H      -3.708565      1.508147      8.892204
  C      -2.198138      0.261393      3.360782
  C      -3.075962     -1.002978      3.193152
  C      -4.076069     -1.001056      2.060639
  N      -3.918862     -0.145165      1.056483
  C      -4.817517     -0.197256      0.029937
  N      -5.867398     -0.977432     -0.079152
  C      -6.071502     -1.855814      0.949576
  C      -7.203790     -2.704219      0.908212
  C      -7.428350     -3.604402      1.928176
  C      -6.529868     -3.694159      3.016347
  C      -5.421322     -2.874138      3.083412
  C      -5.170171     -1.927758      2.058546
  C      -4.170976      5.380099      5.977100
  C      -4.040620      6.680445      5.144486
  C      -4.290402      6.355861      3.704479
  N      -5.565672      6.133386      3.381276
  C      -5.818735      5.614745      2.160179
  N      -4.932240      5.264549      1.242247
  C      -3.620483      5.540277      1.524775
  C      -2.627674      5.165959      0.590473
  C      -1.297975      5.409701      0.864593
  C      -0.915504      6.029153      2.077750
  C      -1.865341      6.380403      3.015135
  C      -3.239105      6.136982      2.766393
  C      -6.457228      1.838482      5.239368
  C      -6.409904      0.495832      4.463762
  C      -7.377807      0.473913      3.323427
  N      -7.099876      1.318389      2.327356
  C      -7.964655      1.411335      1.284195
  N      -9.063312      0.713004      1.113520
  C      -9.358872     -0.198719      2.090547
  C     -10.501911     -1.017677      1.937079
  C     -10.829058     -1.936391      2.913123
  C     -10.039382     -2.063412      4.079930
  C      -8.917259     -1.281481      4.255023
  C      -8.543116     -0.339936      3.263029
  H      -2.397373      0.955653      2.540029
  H      -1.134557     -0.027635      3.284730
  H      -3.614633     -1.186048      4.133980
  H      -2.439607     -1.893617      3.049348
  H      -4.634182      0.506968     -0.788726
  H      -7.878850     -2.616963      0.056232
  H      -8.306858     -4.250836      1.901674
  H      -6.717859     -4.419052      3.809673
  H      -4.736794     -2.962330      3.927146
  H      -5.171389      4.962963      5.779306
  H      -4.140446      5.653341      7.047788
  H      -4.808551      7.389736      5.485818
  H      -3.053860      7.130736      5.309801
  H      -6.870549      5.407922      1.928738
  H      -2.948091      4.684445     -0.334600
  H      -0.531278      5.126389      0.141700
  H       0.140091      6.222358      2.273038
  H      -1.556131      6.844749      3.950895
  H      -7.267441      1.808962      5.985951
  H      -6.700256      2.641222      4.526609
  H      -5.394681      0.422209      4.043540
  H      -6.546022     -0.354401      5.142031
  H      -7.705137      2.157067      0.524502
  H     -11.101747     -0.896592      1.034495
  H     -11.707395     -2.571281      2.788275
  H     -10.320841     -2.790128      4.843249
  H      -8.310479     -1.396003      5.153064
  N      -3.932832      2.852499      3.152540
  N      -4.638454      2.532272      1.970242
  H      -4.048262      1.913120      1.379742
  H      -5.590217      2.022736      2.153336
  H      -4.868280      3.409708      1.442425
91
Coordinates from ORCA-job orca E -6141.642476356429
  N      -2.418772      0.984665      4.626099
  Mo     -3.574075      2.588965      4.913413
  N      -5.200713      2.127036      5.906535
  C      -5.167285      2.056238      7.365801
  C      -3.845590      1.437254      7.802885
  N      -2.733325      2.106564      7.086942
  C      -1.565921      1.219367      6.892615
  C      -1.842219      0.258207      5.752940
  C      -2.334658      3.392818      7.727321
  C      -2.036382      4.389929      6.611547
  N      -3.168567      4.394150      5.690979
  H      -0.891997     -0.220483      5.452856
  H      -2.508293     -0.562117      6.089069
  H      -0.716503      1.860621      6.618582
  H      -1.308818      0.685654      7.824775
  H      -1.848406      5.395329      7.026816
  H      -1.117168      4.096082      6.078138
  H      -3.182137      3.758408      8.323922
  H      -1.482255      3.235636      8.410522
  H      -6.002399      1.448927      7.753160
  H      -5.277571      3.066950      7.803091
  H      -3.839684      0.376137      7.516320
  H      -3.704343      1.499268      8.895706
  C      -2.209688      0.302766      3.348207
  C      -3.080265     -0.965162      3.167972
  C      -4.082960     -0.958775      2.038260
  N      -3.933561     -0.090970      1.042655
  C      -4.825190     -0.145508      0.009763
  N      -5.862225     -0.940194     -0.112320
  C      -6.062036     -1.827949      0.909566
  C      -7.184564     -2.688216      0.855566
  C      -7.406488     -3.596547      1.869035
  C      -6.513946     -3.683219      2.962234
  C      -5.414073     -2.852683      3.040922
  C      -5.166691     -1.897154      2.023746
  C      -4.182849      5.407381      5.961256
  C      -4.022448      6.699944      5.121426
  C      -4.257059      6.369315      3.680281
  N      -5.531846      6.181445      3.335870
  C      -5.777338      5.660513      2.114105
  N      -4.885079      5.276141      1.215543
  C      -3.571190      5.515028      1.519983
  C      -2.572626      5.107477      0.605538
  C      -1.241719      5.316302      0.901981
  C      -0.863869      5.933366      2.117722
  C      -1.820108      6.318437      3.035077
  C      -3.195372      6.111445      2.763652
  C      -6.473780      1.836760      5.256029
  C      -6.424259      0.496291      4.478283
  C      -7.404183      0.466564      3.348225
  N      -7.149606      1.321192      2.354118
  C      -8.021425      1.397425      1.315700
  N      -9.108949      0.679576      1.151241
  C      -9.383912     -0.235330      2.130754
  C     -10.517505     -1.069557      1.987466
  C     -10.822531     -1.994275      2.964921
  C     -10.019190     -2.113216      4.123274
  C      -8.906116     -1.316319      4.288414
  C      -8.555473     -0.367192      3.295274
  H      -2.408712      1.004851      2.533865
  H      -1.144820      0.018391      3.270691
  H      -3.612536     -1.164740      4.109033
  H      -2.437831     -1.848835      3.008910
  H      -4.646784      0.569803     -0.800184
  H      -7.855397     -2.602340      0.000192
  H      -8.278157     -4.251542      1.832860
  H      -6.699849     -4.413931      3.750614
  H      -4.734532     -2.938405      3.888837
  H      -5.184977      5.000422      5.751314
  H      -4.164512      5.687848      7.030396
  H      -4.784101      7.422898      5.447486
  H      -3.031042      7.135700      5.297315
  H      -6.830115      5.484656      1.863992
  H      -2.889004      4.630331     -0.323307
  H      -0.470746      5.007320      0.194375
  H       0.193022      6.098943      2.330559
  H      -1.514943      6.782204      3.972408
  H      -7.283700      1.804823      6.002817
  H      -6.718920      2.639700      4.544583
  H      -5.413418      0.430578      4.046345
  H      -6.544838     -0.355472      5.157702
  H      -7.777057      2.144131      0.552201
  H     -11.127541     -0.954934      1.090921
  H     -11.693698     -2.640499      2.848148
  H     -10.282784     -2.845388      4.887661
  H      -8.289165     -1.424398      5.180320
  N      -3.979415      2.868785      3.166900
  N      -4.688881      2.536566      1.990833
  H      -4.115890      1.876586      1.421807
  H      -5.644004      2.045202      2.182934
  H      -4.890709      3.405285      1.438665
91
Coordinates from ORCA-job orca E -6141.643432814295
  N      -2.426350      1.017792      4.610768
  Mo     -3.600447      2.603655      4.919954
  N      -5.216376      2.115193      5.916938
  C      -5.176036      2.026357      7.375500
  C      -3.842844      1.423558      7.799815
  N      -2.744491      2.114686      7.082949
  C      -1.565465      1.245478      6.874733
  C      -1.835190      0.289260      5.728798
  C      -2.361307      3.401891      7.730586
  C      -2.065204      4.405603      6.620114
  N      -3.193987      4.404880      5.694677
  H      -0.880967     -0.176035      5.420542
  H      -2.490122     -0.541430      6.061751
  H      -0.726864      1.900949      6.600983
  H      -1.295482      0.708339      7.801306
  H      -1.886785      5.410671      7.040094
  H      -1.141577      4.121031      6.089195
  H      -3.216872      3.757931      8.321571
  H      -1.512545      3.250445      8.419792
  H      -5.999685      1.400954      7.758620
  H      -5.300939      3.029662      7.825719
  H      -3.822963      0.365084      7.504166
  H      -3.695537      1.478376      8.892211
  C      -2.218330      0.347939      3.326602
  C      -3.080572     -0.924884      3.139211
  C      -4.091723     -0.915365      2.017412
  N      -3.953609     -0.037476      1.028656
  C      -4.842851     -0.094305     -0.006595
  N      -5.870978     -0.899374     -0.134269
  C      -6.064532     -1.792739      0.884293
  C      -7.181830     -2.659446      0.826988
  C      -7.398585     -3.572771      1.837245
  C      -6.505292     -3.658741      2.929947
  C      -5.409823     -2.822677      3.011560
  C      -5.168269     -1.861521      1.998196
  C      -4.203499      5.428144      5.939706
  C      -4.012436      6.714768      5.096853
  C      -4.225315      6.380745      3.652863
  N      -5.495810      6.221225      3.280944
  C      -5.725359      5.695907      2.057740
  N      -4.822427      5.283346      1.182023
  C      -3.510407      5.495424      1.513585
  C      -2.499857      5.063702      0.622831
  C      -1.171784      5.245871      0.948736
  C      -0.808379      5.859591      2.170389
  C      -1.776686      6.270368      3.063622
  C      -3.149501      6.091745      2.762062
  C      -6.490517      1.821458      5.270429
  C      -6.439694      0.480447      4.495630
  C      -7.428315      0.443177      3.373562
  N      -7.188163      1.302406      2.379797
  C      -8.062755      1.363087      1.342401
  N      -9.141879      0.630837      1.182156
  C      -9.405385     -0.282187      2.166222
  C     -10.534020     -1.125062      2.032461
  C     -10.827924     -2.047495      3.015529
  C     -10.016978     -2.157069      4.169675
  C      -8.907993     -1.352380      4.325005
  C      -8.570124     -0.403818      3.326900
  H      -2.421857      1.056243      2.518298
  H      -1.151956      0.070451      3.243831
  H      -3.601449     -1.141174      4.082988
  H      -2.432386     -1.801215      2.962933
  H      -4.671639      0.630427     -0.809665
  H      -7.853755     -2.573536     -0.027582
  H      -8.266604     -4.232436      1.798279
  H      -6.687530     -4.392894      3.716028
  H      -4.730109     -2.907328      3.859450
  H      -5.205088      5.029149      5.712973
  H      -4.203129      5.714578      7.007540
  H      -4.771675      7.447060      5.407173
  H      -3.019192      7.139452      5.288916
  H      -6.775577      5.542883      1.784058
  H      -2.803714      4.592018     -0.313048
  H      -0.391977      4.918425      0.259242
  H       0.246792      6.003683      2.406558
  H      -1.483018      6.733415      4.005104
  H      -7.299201      1.789061      6.018636
  H      -6.739072      2.622385      4.558217
  H      -5.432178      0.418605      4.055283
  H      -6.548666     -0.369957      5.178850
  H      -7.827820      2.108217      0.574647
  H     -11.149928     -1.017711      1.138942
  H     -11.696168     -2.699231      2.906890
  H     -10.271734     -2.887645      4.938618
  H      -8.285816     -1.452655      5.214286
  N      -4.018112      2.890461      3.177351
  N      -4.724545      2.547936      2.001983
  H      -4.162094      1.855935      1.454367
  H      -5.685903      2.075264      2.194027
  H      -4.897523      3.408175      1.426644
91
Coordinates from ORCA-job orca E -6141.644262870794
  N      -2.438173      1.046538      4.600583
  Mo     -3.626032      2.618038      4.930239
  N      -5.230028      2.104327      5.932347
  C      -5.180393      1.993291      7.389478
  C      -3.834502      1.408181      7.797988
  N      -2.752244      2.123989      7.080135
  C      -1.560958      1.274912      6.857638
  C      -1.826337      0.320578      5.708912
  C      -2.386339      3.411286      7.736645
  C      -2.095596      4.423697      6.632991
  N      -3.219988      4.415668      5.702247
  H      -0.868526     -0.129588      5.389839
  H      -2.466811     -0.520928      6.042866
  H      -0.735103      1.944850      6.580341
  H      -1.275271      0.737407      7.779195
  H      -1.930680      5.428500      7.058650
  H      -1.166673      4.151820      6.104719
  H      -3.249156      3.755312      8.324150
  H      -1.539823      3.265881      8.429965
  H      -5.990815      1.347560      7.767021
  H      -5.321136      2.987206      7.855592
  H      -3.799333      0.353295      7.491494
  H      -3.680146      1.454548      8.889738
  C      -2.231066      0.385597      3.311289
  C      -3.083547     -0.893914      3.118120
  C      -4.103100     -0.887824      2.003656
  N      -3.980659     -0.000675      1.020865
  C      -4.865315     -0.067137     -0.017764
  N      -5.877384     -0.891001     -0.153049
  C      -6.060058     -1.789827      0.862706
  C      -7.165233     -2.671440      0.800946
  C      -7.372830     -3.588844      1.809425
  C      -6.481010     -3.665489      2.903926
  C      -5.396309     -2.815942      2.989328
  C      -5.165472     -1.849177      1.978820
  C      -4.221768      5.451695      5.920556
  C      -3.994526      6.732660      5.077367
  C      -4.187226      6.398966      3.630485
  N      -5.454161      6.278351      3.234386
  C      -5.676501      5.755302      2.009461
  N      -4.771112      5.312281      1.151082
  C      -3.459679      5.486133      1.506225
  C      -2.446102      5.028645      0.632001
  C      -1.119380      5.171330      0.982476
  C      -0.760221      5.769946      2.212666
  C      -1.732037      6.208708      3.088758
  C      -3.103783      6.072709      2.761353
  C      -6.506548      1.814606      5.289102
  C      -6.457345      0.480629      4.502958
  C      -7.456931      0.443435      3.390101
  N      -7.236865      1.314749      2.401619
  C      -8.118705      1.364920      1.369194
  N      -9.186908      0.616074      1.211032
  C      -9.432427     -0.303512      2.193137
  C     -10.550833     -1.160747      2.064054
  C     -10.826306     -2.089899      3.046058
  C     -10.005973     -2.193042      4.194194
  C      -8.905623     -1.375552      4.343887
  C      -8.587111     -0.419097      3.346924
  H      -2.439721      1.097518      2.507543
  H      -1.163138      0.115591      3.223611
  H      -3.592993     -1.125986      4.064370
  H      -2.427470     -1.761105      2.926394
  H      -4.705640      0.666659     -0.814659
  H      -7.836512     -2.592353     -0.054672
  H      -8.232831     -4.258543      1.767297
  H      -6.656153     -4.402697      3.688636
  H      -4.717622     -2.892774      3.838723
  H      -5.222974      5.064422      5.673953
  H      -4.240121      5.742975      6.987014
  H      -4.748487      7.476463      5.372620
  H      -2.998700      7.141525      5.287776
  H      -6.725231      5.636435      1.714826
  H      -2.745508      4.572527     -0.313042
  H      -0.337451      4.824254      0.305188
  H       0.294207      5.881985      2.468508
  H      -1.441897      6.661814      4.036010
  H      -7.313142      1.775106      6.039379
  H      -6.758812      2.621213      4.584874
  H      -5.454568      0.427499      4.051386
  H      -6.553250     -0.373870      5.183036
  H      -7.898816      2.114312      0.601318
  H     -11.174212     -1.058436      1.175205
  H     -11.686699     -2.752521      2.941416
  H     -10.246475     -2.928752      4.962690
  H      -8.275905     -1.471187      5.228298
  N      -4.064596      2.913553      3.193792
  N      -4.770953      2.566190      2.020434
  H      -4.214122      1.856092      1.485062
  H      -5.735684      2.107594      2.215962
  H      -4.922663      3.419761      1.429898
91
Coordinates from ORCA-job orca E -6141.645005337719
  N      -2.432979      1.083174      4.580279
  Mo     -3.647516      2.629669      4.935556
  N      -5.237277      2.078902      5.940825
  C      -5.177676      1.941104      7.395389
  C      -3.816588      1.381435      7.786947
  N      -2.754552      2.130211      7.071122
  C      -1.545675      1.310465      6.833433
  C      -1.798954      0.360392      5.678250
  C      -2.415424      3.418482      7.740015
  C      -2.133602      4.444094      6.646578
  N      -3.251621      4.424516      5.708169
  H      -0.834416     -0.067447      5.349012
  H      -2.419806     -0.496939      6.009080
  H      -0.736939      2.001023      6.556286
  H      -1.242113      0.772340      7.748913
  H      -1.990672      5.448298      7.081147
  H      -1.195740      4.193426      6.123319
  H      -3.289205      3.742945      8.322459
  H      -1.572361      3.282164      8.439685
  H      -5.970558      1.268393      7.763259
  H      -5.341505      2.922165      7.881013
  H      -3.758490      0.331533      7.467472
  H      -3.655987      1.418230      8.878218
  C      -2.227051      0.433312      3.285351
  C      -3.066846     -0.854530      3.090837
  C      -4.101337     -0.851713      1.990216
  N      -3.998774      0.043614      1.012301
  C      -4.889118     -0.027272     -0.021243
  N      -5.892707     -0.861756     -0.153067
  C      -6.061741     -1.762921      0.863041
  C      -7.163654     -2.649017      0.810278
  C      -7.359777     -3.566883      1.820619
  C      -6.458564     -3.641053      2.907513
  C      -5.375691     -2.788057      2.983596
  C      -5.157363     -1.819814      1.971664
  C      -4.252406      5.465802      5.896539
  C      -3.992679      6.742290      5.055435
  C      -4.164109      6.406764      3.606149
  N      -5.424619      6.320346      3.181744
  C      -5.633856      5.794479      1.955521
  N      -4.723260      5.320530      1.119030
  C      -3.415450      5.462242      1.502135
  C      -2.393652      4.977462      0.651722
  C      -1.072141      5.083489      1.033806
  C      -0.725412      5.670720      2.272811
  C      -1.705116      6.138576      3.124719
  C      -3.071785      6.042976      2.763663
  C      -6.516748      1.793743      5.300877
  C      -6.473278      0.466717      4.504106
  C      -7.481594      0.434355      3.398393
  N      -7.272624      1.312252      2.413039
  C      -8.158186      1.354702      1.382635
  N      -9.220648      0.597221      1.226441
  C      -9.458126     -0.323544      2.209246
  C     -10.573443     -1.185736      2.085743
  C     -10.840162     -2.115562      3.069556
  C     -10.013215     -2.215125      4.213411
  C      -8.915000     -1.393786      4.356709
  C      -8.606105     -0.435607      3.358138
  H      -2.446327      1.147637      2.486673
  H      -1.156983      0.174837      3.189661
  H      -3.558657     -1.103813      4.042156
  H      -2.403108     -1.711621      2.880329
  H      -4.741793      0.711888     -0.815503
  H      -7.842928     -2.571676     -0.039201
  H      -8.218572     -4.238582      1.785695
  H      -6.625211     -4.378447      3.693936
  H      -4.689860     -2.861976      3.827544
  H      -5.248900      5.082803      5.626108
  H      -4.297292      5.760477      6.961452
  H      -4.742857      7.495290      5.336288
  H      -2.995785      7.138943      5.283812
  H      -6.678755      5.704298      1.638625
  H      -2.681508      4.532060     -0.301872
  H      -0.284318      4.715529      0.374481
  H       0.325360      5.751949      2.554320
  H      -1.425349      6.583168      4.079232
  H      -7.320396      1.749695      6.054351
  H      -6.772193      2.605839      4.604332
  H      -5.474255      0.417065      4.043873
  H      -6.561191     -0.392124      5.179866
  H      -7.946398      2.103922      0.612339
  H     -11.201888     -1.086525      1.200054
  H     -11.698192     -2.782109      2.969842
  H     -10.247158     -2.951217      4.983588
  H      -8.280343     -1.486624      5.237928
  N      -4.103077      2.934712      3.203612
  N      -4.805997      2.576158      2.030675
  H      -4.251215      1.848877      1.512746
  H      -5.775515      2.128441      2.225826
  H      -4.935701      3.418587      1.421098
91
Coordinates from ORCA-job orca E -6141.645671137974
  N      -2.433940      1.113054      4.565671
  Mo     -3.670257      2.638873      4.943073
  N      -5.246831      2.058311      5.953015
  C      -5.175763      1.894064      7.404205
  C      -3.800404      1.358794      7.778503
  N      -2.758120      2.137141      7.063861
  C      -1.533691      1.344335      6.813022
  C      -1.776629      0.396423      5.653976
  C      -2.442917      3.425233      7.744192
  C      -2.169578      4.462838      6.660815
  N      -3.280900      4.431459      5.714745
  H      -0.806258     -0.009441      5.314313
  H      -2.376876     -0.475718      5.984125
  H      -0.740950      2.052446      6.533988
  H      -1.213081      0.807729      7.723577
  H      -2.048718      5.466094      7.103767
  H      -1.223291      4.232634      6.143049
  H      -3.325760      3.731994      8.322530
  H      -1.602520      3.296662      8.448741
  H      -5.950253      1.194843      7.762068
  H      -5.362330      2.861168      7.909616
  H      -3.721736      0.314238      7.446537
  H      -3.632980      1.386663      8.869047
  C      -2.229732      0.471804      3.266390
  C      -3.054479     -0.825553      3.071479
  C      -4.102285     -0.827863      1.983914
  N      -4.021444      0.077149      1.012655
  C      -4.917841      0.000806     -0.015017
  N      -5.910523     -0.847063     -0.145224
  C      -6.061229     -1.755046      0.867663
  C      -7.153870     -2.652948      0.819665
  C      -7.331723     -3.577868      1.826945
  C      -6.420850     -3.648052      2.905989
  C      -5.346169     -2.784208      2.977019
  C      -5.146806     -1.808309      1.968387
  C      -4.275387      5.483063      5.873148
  C      -3.979850      6.753789      5.034559
  C      -4.132074      6.418429      3.583289
  N      -5.386043      6.374772      3.133308
  C      -5.588369      5.855827      1.902983
  N      -4.678600      5.352108      1.082900
  C      -3.374596      5.451197      1.492353
  C      -2.351512      4.940348      0.658932
  C      -1.035168      5.001205      1.067952
  C      -0.694329      5.568387      2.317924
  C      -1.675352      6.064676      3.152191
  C      -3.036688      6.016820      2.762484
  C      -6.530940      1.780246      5.319563
  C      -6.492642      0.461267      4.509627
  C      -7.509036      0.435680      3.411234
  N      -7.312649      1.325110      2.433635
  C      -8.201669      1.365981      1.405606
  N      -9.257002      0.599619      1.246929
  C      -9.484211     -0.329895      2.224038
  C     -10.592900     -1.200122      2.098186
  C     -10.848180     -2.139208      3.076209
  C     -10.015492     -2.240777      4.215863
  C      -8.923216     -1.411891      4.360890
  C      -8.626521     -0.443310      3.368357
  H      -2.461862      1.186609      2.471736
  H      -1.157559      0.226001      3.162368
  H      -3.529311     -1.090986      4.027066
  H      -2.381374     -1.670949      2.843441
  H      -4.787016      0.747506     -0.805181
  H      -7.840918     -2.578976     -0.023934
  H      -8.183715     -4.258439      1.795411
  H      -6.573100     -4.391204      3.689989
  H      -4.652160     -2.854988      3.814577
  H      -5.268159      5.108321      5.579385
  H      -4.344435      5.780659      6.936030
  H      -4.722824      7.519070      5.300506
  H      -2.980815      7.134033      5.281453
  H      -6.629650      5.802780      1.566231
  H      -2.634037      4.513069     -0.304433
  H      -0.246492      4.612973      0.421259
  H       0.352588      5.612552      2.621443
  H      -1.401269      6.493832      4.115420
  H      -7.330055      1.729525      6.077657
  H      -6.790832      2.599404      4.633026
  H      -5.497571      0.417790      4.040163
  H      -6.572494     -0.403816      5.178251
  H      -7.999501      2.120936      0.638414
  H     -11.225885     -1.099792      1.215808
  H     -11.701429     -2.811826      2.975457
  H     -10.240878     -2.984103      4.981734
  H      -8.284074     -1.506211      5.238710
  N      -4.143567      2.957559      3.217564
  N      -4.850817      2.599514      2.045758
  H      -4.300173      1.864383      1.531909
  H      -5.830298      2.168131      2.239536
  H      -4.959413      3.435886      1.427753
91
Coordinates from ORCA-job orca E -6141.646297218407
  N      -2.430956      1.155393      4.538684
  Mo     -3.694511      2.652599      4.947209
  N      -5.256045      2.034746      5.960117
  C      -5.173265      1.834908      7.405716
  C      -3.782435      1.327335      7.759304
  N      -2.763672      2.142659      7.051179
  C      -1.521425      1.382889      6.783965
  C      -1.749058      0.443042      5.615208
  C      -2.477096      3.428230      7.748839
  C      -2.211997      4.482687      6.680321
  N      -3.314057      4.442673      5.723561
  H      -0.771270      0.065101      5.264457
  H      -2.325045     -0.447871      5.938417
  H      -0.746980      2.112256      6.508483
  H      -1.182521      0.843978      7.686524
  H      -2.115035      5.482414      7.136666
  H      -1.255812      4.276827      6.170260
  H      -3.370662      3.712456      8.322244
  H      -1.640696      3.305822      8.459512
  H      -5.926305      1.104857      7.747904
  H      -5.385217      2.782339      7.938183
  H      -3.679641      0.291469      7.407496
  H      -3.607013      1.339883      8.848905
  C      -2.230925      0.523453      3.234948
  C      -3.039917     -0.784284      3.042111
  C      -4.106970     -0.794632      1.973457
  N      -4.054303      0.116763      1.005812
  C      -4.964463      0.031944     -0.009443
  N      -5.946740     -0.829189     -0.128863
  C      -6.070756     -1.742363      0.882825
  C      -7.153294     -2.653022      0.848090
  C      -7.305261     -3.582915      1.854911
  C      -6.377557     -3.645899      2.920097
  C      -5.311601     -2.770111      2.977561
  C      -5.138953     -1.788441      1.969543
  C      -4.301912      5.504474      5.849477
  C      -3.970579      6.768890      5.013080
  C      -4.098342      6.428680      3.560642
  N      -5.342405      6.420412      3.081157
  C      -5.531761      5.896530      1.850531
  N      -4.619194      5.358227      1.056025
  C      -3.322682      5.422662      1.494806
  C      -2.294971      4.880064      0.687710
  C      -0.987329      4.905364      1.127379
  C      -0.659186      5.468468      2.382779
  C      -1.645052      5.998410      3.190289
  C      -2.997598      5.987358      2.768489
  C      -6.544917      1.767288      5.330791
  C      -6.512679      0.460806      4.501205
  C      -7.540917      0.442435      3.413443
  N      -7.362159      1.341977      2.442105
  C      -8.258750      1.378576      1.420287
  N      -9.306351      0.601223      1.263494
  C      -9.517664     -0.336393      2.236721
  C     -10.618082     -1.217320      2.113236
  C     -10.856055     -2.165355      3.087151
  C     -10.013772     -2.265042      4.219850
  C      -8.929097     -1.425845      4.362097
  C      -8.649943     -0.447818      3.373530
  H      -2.480431      1.238088      2.445091
  H      -1.156733      0.292413      3.118498
  H      -3.492388     -1.066202      4.003854
  H      -2.358180     -1.617143      2.793729
  H      -4.855781      0.784351     -0.797515
  H      -7.853914     -2.584876      0.015187
  H      -8.149752     -4.273317      1.834439
  H      -6.509492     -4.393163      3.703898
  H      -4.604150     -2.835484      3.804308
  H      -5.289073      5.137087      5.529363
  H      -4.399809      5.804683      6.909450
  H      -4.707084      7.546626      5.259433
  H      -2.971348      7.135311      5.280225
  H      -6.566662      5.874942      1.491099
  H      -2.564761      4.458797     -0.281993
  H      -0.195093      4.492836      0.500314
  H       0.381128      5.483508      2.710895
  H      -1.382458      6.425363      4.157702
  H      -7.338655      1.705887      6.093938
  H      -6.809260      2.597079      4.658879
  H      -5.522691      0.425907      4.020022
  H      -6.581900     -0.414099      5.158126
  H      -8.071046      2.138666      0.654474
  H     -11.258740     -1.118309      1.236247
  H     -11.702820     -2.846371      2.988392
  H     -10.225719     -3.015406      4.982770
  H      -8.282662     -1.519276      5.234652
  N      -4.185851      2.983060      3.229245
  N      -4.886516      2.613524      2.056652
  H      -4.334260      1.867780      1.558003
  H      -5.867205      2.188051      2.247047
  H      -4.976094      3.442867      1.426065
91
Coordinates from ORCA-job orca E -6141.646899724668
  N      -2.429412      1.199032      4.517880
  Mo     -3.720260      2.666975      4.955697
  N      -5.266943      2.013794      5.970894
  C      -5.171406      1.778313      7.410046
  C      -3.766249      1.298379      7.743761
  N      -2.771617      2.149415      7.043432
  C      -1.512377      1.423205      6.761481
  C      -1.722961      0.492170      5.582446
  C      -2.513337      3.431309      7.758246
  C      -2.254799      4.501970      6.704450
  N      -3.346396      4.454704      5.734982
  H      -0.737923      0.144023      5.221134
  H      -2.273111     -0.417609      5.898037
  H      -0.756525      2.173621      6.491279
  H      -1.156654      0.882036      7.656106
  H      -2.180693      5.497521      7.173500
  H      -1.289113      4.317929      6.203877
  H      -3.417356      3.694202      8.325293
  H      -1.681520      3.314459      8.475343
  H      -5.901677      1.017750      7.735496
  H      -5.408224      2.703868      7.970262
  H      -3.640963      0.272227      7.371367
  H      -3.582872      1.295043      8.832117
  C      -2.232471      0.578538      3.209000
  C      -3.024074     -0.740099      3.015993
  C      -4.106413     -0.758631      1.963369
  N      -4.079674      0.159269      1.000502
  C      -5.003227      0.068702     -0.001922
  N      -5.975676     -0.804309     -0.112858
  C      -6.073823     -1.724554      0.895210
  C      -7.145602     -2.648121      0.870286
  C      -7.272284     -3.585140      1.873909
  C      -6.329282     -3.642321      2.926013
  C      -5.273091     -2.754147      2.973499
  C      -5.126176     -1.765025      1.968638
  C      -4.321864      5.531897      5.823464
  C      -3.951635      6.784272      4.984323
  C      -4.061316      6.437030      3.532395
  N      -5.294897      6.469140      3.026752
  C      -5.476468      5.943721      1.795184
  N      -4.567501      5.366435      1.024390
  C      -3.279516      5.386864      1.491314
  C      -2.254566      4.802446      0.710352
  C      -0.956542      4.784757      1.177966
  C      -0.635006      5.346648      2.435806
  C      -1.618503      5.918040      3.217471
  C      -2.961314      5.950172      2.767112
  C      -6.560485      1.752123      5.348131
  C      -6.528544      0.458100      4.499030
  C      -7.567451      0.446680      3.421283
  N      -7.407031      1.361006      2.460731
  C      -8.312484      1.402017      1.447029
  N      -9.353672      0.616425      1.289463
  C      -9.547175     -0.336140      2.252165
  C     -10.640020     -1.226028      2.126364
  C     -10.858844     -2.190608      3.088582
  C     -10.004336     -2.298219      4.211281
  C      -8.927182     -1.449746      4.355772
  C      -8.667730     -0.454538      3.379081
  H      -2.498851      1.294138      2.424931
  H      -1.156215      0.363209      3.081642
  H      -3.457529     -1.037446      3.981808
  H      -2.332751     -1.559380      2.749615
  H      -4.915391      0.826505     -0.787467
  H      -7.858171     -2.584664      0.047215
  H      -8.107858     -4.286446      1.861040
  H      -6.440927     -4.395550      3.707236
  H      -4.553238     -2.815503      3.789783
  H      -5.304274      5.173824      5.479314
  H      -4.445514      5.841036      6.878123
  H      -4.676397      7.578522      5.211164
  H      -2.949983      7.133433      5.266632
  H      -6.503946      5.958980      1.414648
  H      -2.518502      4.384427     -0.262279
  H      -0.166189      4.340151      0.570786
  H       0.398060      5.327940      2.785840
  H      -1.362526      6.344539      4.186840
  H      -7.347922      1.676574      6.116573
  H      -6.832898      2.590863      4.690779
  H      -5.543394      0.435953      4.007310
  H      -6.585378     -0.427609      5.142425
  H      -8.138821      2.172836      0.688614
  H     -11.290183     -1.121039      1.257132
  H     -11.699774     -2.878613      2.988236
  H     -10.201056     -3.061975      4.964935
  H      -8.271685     -1.549155      5.220881
  N      -4.232774      3.009110      3.245187
  N      -4.939088      2.632678      2.077042
  H      -4.391002      1.877458      1.585540
  H      -5.924236      2.216365      2.271252
  H      -5.015583      3.453098      1.435982
91
Coordinates from ORCA-job orca E -6141.647466339749
  N      -2.435675      1.245151      4.492661
  Mo     -3.749269      2.685172      4.962090
  N      -5.281296      1.999835      5.980506
  C      -5.170219      1.726308      7.411424
  C      -3.751924      1.270227      7.722131
  N      -2.781860      2.156041      7.031459
  C      -1.507585      1.463112      6.732935
  C      -1.702569      0.543500      5.542547
  C      -2.549107      3.431579      7.765562
  C      -2.296942      4.520924      6.729612
  N      -3.377792      4.469607      5.747257
  H      -0.711623      0.226608      5.168690
  H      -2.225520     -0.385265      5.849138
  H      -0.770517      2.234111      6.469446
  H      -1.134846      0.917898      7.618003
  H      -2.244955      5.509936      7.214570
  H      -1.322118      4.359457      6.238823
  H      -3.462392      3.672861      8.327180
  H      -1.721173      3.317413      8.487564
  H      -5.878084      0.937602      7.719824
  H      -5.426620      2.628107      8.001247
  H      -3.608614      0.255844      7.324751
  H      -3.557752      1.246818      8.808350
  C      -2.251296      0.632524      3.179298
  C      -3.022439     -0.700029      2.994099
  C      -4.124703     -0.731316      1.963437
  N      -4.134524      0.196374      1.009356
  C      -5.075345      0.097858      0.024277
  N      -6.032377     -0.792781     -0.077353
  C      -6.092259     -1.725937      0.922141
  C      -7.144302     -2.672002      0.905257
  C      -7.232109     -3.623587      1.899265
  C      -6.268899     -3.672274      2.933462
  C      -5.231520     -2.761909      2.973000
  C      -5.124011     -1.758036      1.977742
  C      -4.335623      5.564997      5.797651
  C      -3.924651      6.803294      4.956292
  C      -4.014570      6.450127      3.504615
  N      -5.234406      6.521635      2.970514
  C      -5.404714      5.996345      1.736745
  N      -4.498908      5.382145      0.991383
  C      -3.222727      5.359242      1.489003
  C      -2.200271      4.734734      0.735770
  C      -0.915419      4.674155      1.235020
  C      -0.604116      5.234252      2.496374
  C      -1.584960      5.846264      3.249861
  C      -2.914931      5.920712      2.768071
  C      -6.581035      1.744183      5.368180
  C      -6.546263      0.465371      4.496642
  C      -7.596371      0.460309      3.429864
  N      -7.458608      1.393818      2.484597
  C      -8.373649      1.440111      1.480204
  N      -9.404549      0.642057      1.318000
  C      -9.574318     -0.331178      2.264502
  C     -10.653923     -1.235801      2.130829
  C     -10.848120     -2.222862      3.075454
  C      -9.981477     -2.338877      4.187706
  C      -8.917253     -1.475469      4.339874
  C      -8.683204     -0.457044      3.381209
  H      -2.542349      1.346234      2.401435
  H      -1.173833      0.435470      3.033833
  H      -3.431091     -1.011308      3.966215
  H      -2.320883     -1.503643      2.707904
  H      -5.018404      0.865688     -0.754507
  H      -7.872542     -2.615130      0.095599
  H      -8.051247     -4.344123      1.892653
  H      -6.349131     -4.437394      3.706912
  H      -4.495259     -2.817623      3.774863
  H      -5.313387      5.218554      5.429357
  H      -4.483601      5.884974      6.845713
  H      -4.636916      7.613913      5.163158
  H      -2.921343      7.136228      5.253698
  H      -6.421397      6.048918      1.331696
  H      -2.454938      4.321668     -0.241514
  H      -0.126818      4.198400      0.649648
  H       0.419257      5.182756      2.870598
  H      -1.337559      6.273335      4.221206
  H      -7.359344      1.649461      6.143687
  H      -6.865298      2.592610      4.728799
  H      -5.566135      0.461141      3.994722
  H      -6.587644     -0.433258      5.122941
  H      -8.218024      2.226621      0.734353
  H     -11.313769     -1.124178      1.269822
  H     -11.678878     -2.922105      2.968961
  H     -10.158191     -3.121098      4.927221
  H      -8.252506     -1.581584      5.197089
  N      -4.280583      3.043265      3.260099
  N      -4.991453      2.668372      2.093014
  H      -4.447710      1.908834      1.601363
  H      -5.980067      2.260233      2.286323
  H      -5.054913      3.485767      1.447992
91
Coordinates from ORCA-job orca E -6141.647954061777
  N      -2.444091      1.294202      4.470001
  Mo     -3.777715      2.708038      4.969320
  N      -5.294551      1.992363      5.990513
  C      -5.167702      1.687372      7.413419
  C      -3.738589      1.251668      7.703571
  N      -2.790809      2.166961      7.020903
  C      -1.504901      1.504049      6.706419
  C      -1.687657      0.596501      5.505249
  C      -2.580518      3.435529      7.772726
  C      -2.336628      4.543450      6.754942
  N      -3.407374      4.488960      5.761016
  H      -0.692408      0.308118      5.119635
  H      -2.185795     -0.348843      5.802809
  H      -0.784977      2.293359      6.450225
  H      -1.117149      0.954038      7.581988
  H      -2.307222      5.524969      7.256204
  H      -1.353302      4.405903      6.273302
  H      -3.501786      3.655965      8.329693
  H      -1.755594      3.323571      8.498536
  H      -5.856058      0.876267      7.707985
  H      -5.438223      2.569088      8.026736
  H      -3.581535      0.247872      7.285125
  H      -3.533425      1.211285      8.787292
  C      -2.269873      0.690390      3.151403
  C      -3.027811     -0.650965      2.968679
  C      -4.147165     -0.694317      1.957119
  N      -4.195186      0.241583      1.011958
  C      -5.151765      0.131544      0.043347
  N      -6.089803     -0.779695     -0.050661
  C      -6.110030     -1.723976      0.940136
  C      -7.138465     -2.695580      0.930101
  C      -7.185766     -3.659791      1.914784
  C      -6.204502     -3.694993      2.932472
  C      -5.189834     -2.759178      2.965349
  C      -5.123474     -1.742740      1.979149
  C      -4.343112      5.604247      5.773835
  C      -3.890692      6.825196      4.928714
  C      -3.964267      6.464236      3.478130
  N      -5.169805      6.572716      2.919167
  C      -5.333569      6.041686      1.686496
  N      -4.436525      5.385925      0.966690
  C      -3.172970      5.320068      1.492083
  C      -2.161475      4.641889      0.770852
  C      -0.891693      4.534706      1.299903
  C      -0.584777      5.100503      2.559809
  C      -1.555086      5.764001      3.282567
  C      -2.870142      5.886143      2.770440
  C      -6.599270      1.737779      5.387418
  C      -6.559339      0.474679      4.493689
  C      -7.621739      0.473515      3.438666
  N      -7.510119      1.429059      2.511993
  C      -8.436125      1.481092      1.518088
  N      -9.455369      0.669045      1.349910
  C      -9.597614     -0.327253      2.276708
  C     -10.662684     -1.247782      2.134312
  C     -10.828851     -2.259354      3.058210
  C      -9.947221     -2.385648      4.157443
  C      -8.896967     -1.506619      4.317998
  C      -8.692418     -0.462207      3.381059
  H      -2.576079      1.405592      2.380858
  H      -1.192105      0.505105      2.992642
  H      -3.416512     -0.973878      3.945199
  H      -2.319211     -1.441843      2.665319
  H      -5.126664      0.908189     -0.728339
  H      -7.880830     -2.648789      0.132743
  H      -7.985539     -4.401746      1.913080
  H      -6.251894     -4.470447      3.698347
  H      -4.438921     -2.804741      3.754164
  H      -5.317760      5.271210      5.385700
  H      -4.509633      5.939015      6.814294
  H      -4.588237      7.652963      5.117183
  H      -2.885148      7.140633      5.238042
  H      -6.338645      6.129610      1.259587
  H      -2.413389      4.224329     -0.205103
  H      -0.111401      4.016610      0.739859
  H       0.427215      5.011858      2.957387
  H      -1.311288      6.194963      4.253175
  H      -7.368762      1.622558      6.168851
  H      -6.896890      2.594294      4.765410
  H      -5.584875      0.491904      3.981396
  H      -6.581185     -0.436210      5.103011
  H      -8.300160      2.285242      0.787221
  H     -11.334174     -1.128180      1.283432
  H     -11.648878     -2.970190      2.945158
  H     -10.100982     -3.188191      4.880130
  H      -8.220831     -1.620796      5.165228
  N      -4.329172      3.076293      3.275462
  N      -5.048675      2.701802      2.113093
  H      -4.515755      1.931010      1.623335
  H      -6.040856      2.303810      2.310525
  H      -5.101514      3.512682      1.460953
91
Coordinates from ORCA-job orca E -6141.648402944376
  N      -2.456499      1.335981      4.448058
  Mo     -3.803679      2.728407      4.973463
  N      -5.308681      1.986142      5.993932
  C      -5.168066      1.650815      7.408624
  C      -3.730412      1.230377      7.680974
  N      -2.800717      2.171136      7.008581
  C      -1.506087      1.534357      6.679673
  C      -1.679481      0.639979      5.467953
  C      -2.608793      3.430195      7.779648
  C      -2.372279      4.558424      6.783379
  N      -3.431979      4.503734      5.777456
  H      -0.681380      0.377167      5.071186
  H      -2.155526     -0.319902      5.755413
  H      -0.800886      2.339398      6.431735
  H      -1.105811      0.978234      7.545651
  H      -2.367240      5.529704      7.304518
  H      -1.380037      4.448124      6.312079
  H      -3.536648      3.630765      8.332868
  H      -1.786647      3.317239      8.508312
  H      -5.840403      0.821549      7.689090
  H      -5.448758      2.514093      8.043046
  H      -3.564164      0.237027      7.241801
  H      -3.515445      1.171822      8.761926
  C      -2.301862      0.734033      3.126426
  C      -3.046234     -0.616499      2.956545
  C      -4.184107     -0.675320      1.967368
  N      -4.275396      0.267733      1.032426
  C      -5.249576      0.143113      0.083570
  N      -6.165570     -0.791216     -0.000730
  C      -6.140434     -1.745962      0.980338
  C      -7.141111     -2.746017      0.979395
  C      -7.141552     -3.721914      1.953855
  C      -6.140113     -3.739612      2.952038
  C      -5.152499     -2.775299      2.976322
  C      -5.133623     -1.747491      1.999738
  C      -4.341953      5.639101      5.756359
  C      -3.846456      6.843668      4.912933
  C      -3.907121      6.481631      3.461723
  N      -5.099476      6.622788      2.883775
  C      -5.259123      6.091950      1.650518
  N      -4.371873      5.405170      0.948229
  C      -3.119149      5.303834      1.493696
  C      -2.117872      4.590384      0.792062
  C      -0.859970      4.449124      1.341029
  C      -0.554757      5.015891      2.600704
  C      -1.514548      5.714436      3.304022
  C      -2.818307      5.870715      2.772592
  C      -6.618452      1.734346      5.399781
  C      -6.572762      0.489431      4.481298
  C      -7.645414      0.491696      3.436129
  N      -7.560333      1.469428      2.529488
  C      -8.496551      1.524801      1.545317
  N      -9.501263      0.696854      1.368162
  C      -9.614651     -0.322376      2.273009
  C     -10.662920     -1.260144      2.119467
  C     -10.801964     -2.294280      3.022446
  C      -9.907907     -2.428124      4.110454
  C      -8.873065     -1.532721      4.281261
  C      -8.697588     -0.463926      3.366654
  H      -2.628057      1.446765      2.361916
  H      -1.225204      0.559615      2.948834
  H      -3.412644     -0.945524      3.939678
  H      -2.332059     -1.396379      2.638807
  H      -5.260471      0.927694     -0.680315
  H      -7.899474     -2.712188      0.196727
  H      -7.918433     -4.487661      1.958427
  H      -6.149418     -4.524695      3.709407
  H      -4.385245     -2.807156      3.749746
  H      -5.313929      5.323281      5.348333
  H      -4.524401      5.987365      6.789430
  H      -4.528819      7.686852      5.088403
  H      -2.839031      7.140772      5.234190
  H      -6.252948      6.210592      1.205916
  H      -2.368135      4.173933     -0.184901
  H      -0.087661      3.902814      0.797092
  H       0.448479      4.900690      3.013254
  H      -1.270344      6.148146      4.273227
  H      -7.378302      1.595751      6.186697
  H      -6.930434      2.600069      4.798056
  H      -5.603181      0.530790      3.961590
  H      -6.575302     -0.433671      5.072260
  H      -8.382284      2.347163      0.831760
  H     -11.344430     -1.134235      1.277604
  H     -11.610512     -3.016733      2.901445
  H     -10.039455     -3.249226      4.816360
  H      -8.187509     -1.652798      5.119980
  N      -4.369486      3.111694      3.287820
  N      -5.097873      2.748015      2.127753
  H      -4.578211      1.969759      1.632741
  H      -6.093179      2.361516      2.328718
  H      -5.139133      3.558248      1.474246
91
Coordinates from ORCA-job orca E -6141.648881716338
  N      -2.471927      1.383526      4.425226
  Mo     -3.831513      2.752561      4.979746
  N      -5.320646      1.981980      6.002154
  C      -5.163179      1.622126      7.409262
  C      -3.717412      1.217764      7.663155
  N      -2.806501      2.181820      6.996870
  C      -1.504581      1.570822      6.650181
  C      -1.673296      0.688850      5.428549
  C      -2.630882      3.432402      7.784527
  C      -2.405448      4.577834      6.806262
  N      -3.458677      4.522944      5.793320
  H      -0.674117      0.449543      5.019208
  H      -2.127911     -0.283823      5.708002
  H      -0.814891      2.390994      6.407728
  H      -1.089141      1.009985      7.506045
  H      -2.422516      5.539666      7.344348
  H      -1.406777      4.494142      6.341871
  H      -3.562935      3.614310      8.337020
  H      -1.809383      3.319608      8.514040
  H      -5.820912      0.777982      7.679319
  H      -5.451519      2.469890      8.060941
  H      -3.541567      0.233029      7.208689
  H      -3.491553      1.146215      8.741117
  C      -2.334238      0.788116      3.098327
  C      -3.062804     -0.571458      2.938335
  C      -4.221115     -0.647011      1.974719
  N      -4.364579      0.306364      1.056925
  C      -5.354831      0.162991      0.127024
  N      -6.240309     -0.800897      0.047772
  C      -6.163291     -1.767499      1.014691
  C      -7.130332     -2.799996      1.021337
  C      -7.078999     -3.786838      1.983463
  C      -6.056789     -3.784078      2.960423
  C      -5.100586     -2.788331      2.976370
  C      -5.136160     -1.748477      2.012910
  C      -4.341991      5.677215      5.739293
  C      -3.800949      6.861815      4.895653
  C      -3.851439      6.492963      3.445395
  N      -5.029078      6.669321      2.847876
  C      -5.188811      6.131999      1.617387
  N      -4.317328      5.404822      0.936467
  C      -3.077432      5.264338      1.502828
  C      -2.093596      4.503578      0.826874
  C      -0.849759      4.323905      1.396440
  C      -0.541610      4.897899      2.651850
  C      -1.484696      5.641772      3.331054
  C      -2.774186      5.837911      2.778338
  C      -6.635438      1.732590      5.417068
  C      -6.589376      0.507722      4.473350
  C      -7.673643      0.517692      3.440136
  N      -7.614765      1.521138      2.559476
  C      -8.558810      1.581371      1.582615
  N      -9.546518      0.736518      1.389512
  C      -9.632418     -0.307905      2.268020
  C     -10.660379     -1.264876      2.095883
  C     -10.771557     -2.324416      2.972923
  C      -9.869116     -2.465670      4.053039
  C      -8.852991     -1.552499      4.241085
  C      -8.705942     -0.457509      3.352842
  H      -2.681012      1.499920      2.342302
  H      -1.258704      0.627033      2.901690
  H      -3.402750     -0.910534      3.927756
  H      -2.343486     -1.339056      2.602701
  H      -5.408695      0.958754     -0.623253
  H      -7.906037     -2.780795      0.255294
  H      -7.831564     -4.576557      1.994715
  H      -6.024661     -4.578049      3.707948
  H      -4.316830     -2.803447      3.733558
  H      -5.312441      5.379564      5.315102
  H      -4.536350      6.042558      6.764350
  H      -4.464235      7.722880      5.057666
  H      -2.790818      7.135425      5.228536
  H      -6.170242      6.282632      1.155044
  H      -2.346169      4.081046     -0.146703
  H      -0.090917      3.740300      0.872477
  H       0.450726      4.751561      3.080826
  H      -1.237528      6.080100      4.297556
  H      -7.385506      1.572873      6.209408
  H      -6.960774      2.607694      4.836244
  H      -5.626210      0.572517      3.944054
  H      -6.571644     -0.426962      5.045664
  H      -8.466469      2.424191      0.889774
  H     -11.348796     -1.132904      1.260499
  H     -11.564250     -3.061619      2.837101
  H      -9.978345     -3.307343      4.738277
  H      -8.159676     -1.679542      5.072361
  N      -4.412466      3.144454      3.300813
  N      -5.147171      2.786846      2.143459
  H      -4.644929      1.993176      1.650059
  H      -6.147013      2.416721      2.347208
  H      -5.174153      3.593067      1.485202
91
Coordinates from ORCA-job orca E -6141.649358767950
  N      -2.492231      1.433424      4.405005
  Mo     -3.862363      2.777473      4.989876
  N      -5.334305      1.977011      6.013208
  C      -5.159749      1.596326      7.413200
  C      -3.706887      1.207402      7.649293
  N      -2.813768      2.192774      6.988652
  C      -1.505892      1.606500      6.622725
  C      -1.672011      0.738456      5.390210
  C      -2.651608      3.434211      7.792567
  C      -2.438132      4.595502      6.831584
  N      -3.486748      4.542774      5.813492
  H      -0.672814      0.521986      4.967743
  H      -2.105714     -0.246066      5.661280
  H      -0.831208      2.440830      6.385836
  H      -1.074993      1.040528      7.467599
  H      -2.475847      5.547617      7.386026
  H      -1.434274      4.537997      6.373185
  H      -3.585606      3.599088      8.346936
  H      -1.829186      3.320807      8.521045
  H      -5.804675      0.739770      7.674401
  H      -5.454210      2.430402      8.079740
  H      -3.521698      0.230426      7.181989
  H      -3.470872      1.124671      8.724275
  C      -2.370448      0.847622      3.071331
  C      -3.080844     -0.521091      2.920100
  C      -4.258702     -0.616962      1.982858
  N      -4.458913      0.343328      1.083439
  C      -5.467775      0.177210      0.176447
  N      -6.319137     -0.817881      0.105059
  C      -6.185021     -1.792947      1.057242
  C      -7.114847     -2.858892      1.076212
  C      -7.006358     -3.852257      2.026939
  C      -5.961341     -3.823816      2.978874
  C      -5.039704     -2.795676      2.981253
  C      -5.135494     -1.748672      2.029816
  C      -4.337305      5.718674      5.726162
  C      -3.742637      6.876471      4.879890
  C      -3.789276      6.498625      3.431209
  N      -4.951228      6.717197      2.817176
  C      -5.118157      6.177188      1.589081
  N      -4.270362      5.406971      0.925630
  C      -3.044431      5.220121      1.509051
  C      -2.085322      4.412552      0.852544
  C      -0.855857      4.188619      1.437693
  C      -0.537307      4.764688      2.689262
  C      -1.456251      5.554666      3.349824
  C      -2.731374      5.795276      2.781735
  C      -6.653195      1.727595      5.436292
  C      -6.606053      0.526669      4.463725
  C      -7.700508      0.546237      3.441579
  N      -7.669755      1.579011      2.593521
  C      -8.621743      1.647172      1.624181
  N      -9.589483      0.784942      1.408441
  C      -9.645758     -0.288676      2.253418
  C     -10.649990     -1.265681      2.055389
  C     -10.731352     -2.353837      2.900178
  C      -9.822614     -2.504425      3.973739
  C      -8.828207     -1.572922      4.185881
  C      -8.710696     -0.448908      3.329745
  H      -2.740042      1.559228      2.326270
  H      -1.296324      0.702597      2.854566
  H      -3.394127     -0.869873      3.915205
  H      -2.356449     -1.276610      2.568135
  H      -5.569481      0.981481     -0.559466
  H      -7.910003     -2.858021      0.330016
  H      -7.732923     -4.665894      2.048689
  H      -5.884036     -4.623052      3.717506
  H      -4.237783     -2.789791      3.719308
  H      -5.308125      5.445023      5.288147
  H      -4.538218      6.105647      6.742256
  H      -4.378371      7.760563      5.028442
  H      -2.728348      7.116341      5.224531
  H      -6.086353      6.364634      1.111777
  H      -2.344708      3.989796     -0.119165
  H      -0.116124      3.568355      0.928560
  H       0.444076      4.583770      3.130292
  H      -1.199858      5.994216      4.313432
  H      -7.392902      1.543041      6.233122
  H      -6.993944      2.612720      4.879651
  H      -5.649411      0.618849      3.926050
  H      -6.566958     -0.419762      5.015374
  H      -8.554724      2.514472      0.958675
  H     -11.344025     -1.125994      1.225836
  H     -11.505009     -3.106889      2.743392
  H      -9.908633     -3.368713      4.633725
  H      -8.128264     -1.708407      5.010172
  N      -4.458961      3.176510      3.318979
  N      -5.203044      2.825827      2.167092
  H      -4.719352      2.017441      1.673447
  H      -6.205708      2.470275      2.378386
  H      -5.221887      3.629370      1.505782
91
Coordinates from ORCA-job orca E -6141.649748299154
  N      -2.512690      1.474370      4.391588
  Mo     -3.890601      2.798553      5.001826
  N      -5.349582      1.975281      6.025214
  C      -5.161270      1.574968      7.418168
  C      -3.702667      1.198619      7.638708
  N      -2.824610      2.202042      6.984235
  C      -1.512049      1.636122      6.603572
  C      -1.675530      0.779698      5.362506
  C      -2.672444      3.435754      7.801194
  C      -2.465084      4.609641      6.854476
  N      -3.508456      4.559607      5.830356
  H      -0.676622      0.581916      4.930117
  H      -2.092626     -0.213985      5.626193
  H      -0.849291      2.481375      6.371879
  H      -1.069075      1.066361      7.439579
  H      -2.518657      5.553744      7.421270
  H      -1.456783      4.570962      6.403289
  H      -3.608599      3.588294      8.355282
  H      -1.850601      3.320300      8.530079
  H      -5.795133      0.707395      7.670009
  H      -5.460907      2.395373      8.099307
  H      -3.509664      0.229330      7.158620
  H      -3.457938      1.105261      8.710933
  C      -2.404860      0.894802      3.053724
  C      -3.097369     -0.483487      2.910134
  C      -4.292483     -0.595581      1.997110
  N      -4.542334      0.375240      1.121896
  C      -5.567353      0.196309      0.235037
  N      -6.388285     -0.823638      0.161960
  C      -6.203146     -1.812449      1.091197
  C      -7.099205     -2.906735      1.109460
  C      -6.940241     -3.913179      2.039141
  C      -5.876517     -3.869942      2.969451
  C      -4.986765     -2.813845      2.971674
  C      -5.134674     -1.753734      2.041774
  C      -4.324938      5.756454      5.709860
  C      -3.683151      6.889945      4.862969
  C      -3.728581      6.506068      3.416138
  N      -4.879176      6.754937      2.792221
  C      -5.055877      6.208056      1.568586
  N      -4.229821      5.403203      0.918843
  C      -3.013521      5.185184      1.511574
  C      -2.077632      4.338715      0.871076
  C      -0.857757      4.085212      1.464408
  C      -0.526347      4.668439      2.709186
  C      -1.423807      5.494257      3.355651
  C      -2.688777      5.765439      2.779105
  C      -6.672517      1.730538      5.454831
  C      -6.626629      0.545089      4.464050
  C      -7.728316      0.569976      3.449513
  N      -7.718422      1.621119      2.623007
  C      -8.673648      1.690854      1.656649
  N      -9.623498      0.813618      1.422816
  C      -9.657573     -0.278603      2.245058
  C     -10.639053     -1.273692      2.024594
  C     -10.696228     -2.381604      2.845565
  C      -9.786362     -2.533909      3.917861
  C      -8.813307     -1.585147      4.151226
  C      -8.719510     -0.441458      3.318505
  H      -2.795523      1.604714      2.318139
  H      -1.332366      0.765844      2.819107
  H      -3.385143     -0.842010      3.909563
  H      -2.368707     -1.226871      2.541380
  H      -5.711288      1.012126     -0.480839
  H      -7.910514     -2.916034      0.380792
  H      -7.642586     -4.747926      2.061352
  H      -5.759523     -4.679491      3.691512
  H      -4.169925     -2.796580      3.693061
  H      -5.294271      5.503809      5.256880
  H      -4.534178      6.161677      6.717166
  H      -4.292599      7.794120      5.000110
  H      -2.665696      7.098957      5.218193
  H      -6.013783      6.422756      1.082097
  H      -2.347177      3.909513     -0.094861
  H      -0.135861      3.434883      0.967175
  H       0.447472      4.463884      3.156769
  H      -1.157503      5.939037      4.314241
  H      -7.405410      1.530947      6.254392
  H      -7.021063      2.622845      4.914782
  H      -5.674796      0.652909      3.920553
  H      -6.574083     -0.408475      5.002204
  H      -8.624227      2.572725      1.008741
  H     -11.334503     -1.132530      1.196405
  H     -11.450951     -3.149640      2.670130
  H      -9.853441     -3.413967      4.559025
  H      -8.110629     -1.722924      4.972878
  N      -4.499239      3.206341      3.337307
  N      -5.249844      2.862422      2.188060
  H      -4.784500      2.038498      1.697358
  H      -6.258360      2.525897      2.403491
  H      -5.253487      3.660363      1.521553
91
Coordinates from ORCA-job orca E -6141.650070212328
  N      -2.532530      1.507618      4.386640
  Mo     -3.916074      2.815100      5.017606
  N      -5.362478      1.966933      6.037802
  C      -5.162480      1.550541      7.424589
  C      -3.698661      1.188214      7.632567
  N      -2.835100      2.209410      6.985509
  C      -1.517249      1.663924      6.591896
  C      -1.678121      0.816194      5.344719
  C      -2.692997      3.436026      7.814243
  C      -2.492662      4.621120      6.880705
  N      -3.531024      4.572191      5.851597
  H      -0.680119      0.635329      4.902913
  H      -2.079221     -0.184823      5.604803
  H      -0.866344      2.519209      6.363752
  H      -1.062167      1.092889      7.420409
  H      -2.561926      5.558264      7.457711
  H      -1.480915      4.600961      6.435958
  H      -3.630414      3.576651      8.369202
  H      -1.871278      3.319405      8.543074
  H      -5.786378      0.673133      7.667562
  H      -5.468155      2.358036      8.118478
  H      -3.495031      0.226544      7.141610
  H      -3.448015      1.086314      8.702697
  C      -2.435664      0.932184      3.045870
  C      -3.112767     -0.453800      2.909348
  C      -4.321016     -0.580254      2.015690
  N      -4.612685      0.398162      1.162502
  C      -5.653830      0.210102      0.295679
  N      -6.449378     -0.828938      0.221081
  C      -6.219240     -1.829567      1.127280
  C      -7.085855     -2.946879      1.143284
  C      -6.882901     -3.964300      2.052412
  C      -5.803964     -3.908673      2.963951
  C      -4.941782     -2.829517      2.967353
  C      -5.133733     -1.759843      2.057225
  C      -4.313058      5.787886      5.696893
  C      -3.624147      6.894977      4.848551
  C      -3.673578      6.505867      3.403710
  N      -4.813839      6.786975      2.774033
  C      -5.001444      6.243953      1.550598
  N      -4.197164      5.413386      0.905361
  C      -2.989217      5.164154      1.502250
  C      -2.072587      4.294917      0.864557
  C      -0.858178      4.016431      1.458085
  C      -0.514229      4.593489      2.702291
  C      -1.394717      5.438153      3.348304
  C      -2.652417      5.737098      2.770238
  C      -6.688349      1.727215      5.471209
  C      -6.646459      0.553755      4.466349
  C      -7.750550      0.585382      3.454291
  N      -7.754850      1.651329      2.646073
  C      -8.710422      1.722662      1.679871
  N      -9.645700      0.835137      1.428355
  C      -9.665112     -0.271793      2.231276
  C     -10.629544     -1.278411      1.990336
  C     -10.670290     -2.401898      2.791050
  C      -9.761530     -2.557809      3.863684
  C      -8.805177     -1.597343      4.117222
  C      -8.727174     -0.437842      3.304355
  H      -2.846173      1.639574      2.319552
  H      -1.364972      0.818732      2.795118
  H      -3.380890     -0.818581      3.912214
  H      -2.381742     -1.189404      2.529693
  H      -5.835007      1.035711     -0.400334
  H      -7.911271     -2.964343      0.430688
  H      -7.563713     -4.816799      2.072928
  H      -5.653393     -4.726486      3.670227
  H      -4.112511     -2.803578      3.674334
  H      -5.279844      5.554875      5.229092
  H      -4.530658      6.212741      6.694469
  H      -4.203312      7.820026      4.976347
  H      -2.604010      7.067959      5.214629
  H      -5.949152      6.488708      1.058576
  H      -2.351996      3.867940     -0.099661
  H      -0.151026      3.349348      0.961850
  H       0.454759      4.368544      3.150563
  H      -1.119806      5.877904      4.306826
  H      -7.417035      1.516674      6.271954
  H      -7.040871      2.626069      4.944929
  H      -5.696915      0.668213      3.919830
  H      -6.588994     -0.404006      4.996378
  H      -8.674417      2.615460      1.046578
  H     -11.324442     -1.134478      1.162165
  H     -11.410427     -3.180086      2.598609
  H      -9.816116     -3.450019      4.489075
  H      -8.102824     -1.737823      4.938634
  N      -4.535550      3.231141      3.360477
  N      -5.289304      2.895691      2.212129
  H      -4.835734      2.059641      1.724597
  H      -6.300373      2.569671      2.430376
  H      -5.282651      3.690696      1.543464
91
Coordinates from ORCA-job orca E -6141.650290729803
  N      -2.538583      1.543003      4.368650
  Mo     -3.933641      2.832279      5.020435
  N      -5.364602      1.957929      6.041299
  C      -5.149567      1.517589      7.417644
  C      -3.677529      1.177890      7.609523
  N      -2.836571      2.223029      6.971222
  C      -1.511290      1.704876      6.567053
  C      -1.664239      0.862923      5.315930
  C      -2.712311      3.442405      7.813035
  C      -2.524643      4.642800      6.895826
  N      -3.555404      4.586489      5.859341
  H      -0.666351      0.704743      4.865386
  H      -2.044009     -0.147700      5.571552
  H      -0.876691      2.573228      6.342877
  H      -1.042134      1.135361      7.388717
  H      -2.613988      5.570446      7.484638
  H      -1.509346      4.645006      6.458210
  H      -3.654363      3.563572      8.364690
  H      -1.891605      3.328194      8.543271
  H      -5.754057      0.622889      7.647042
  H      -5.465787      2.303991      8.130661
  H      -3.461855      0.228586      7.100410
  H      -3.416218      1.063819      8.675886
  C      -2.453826      0.963590      3.029978
  C      -3.119620     -0.429680      2.903400
  C      -4.338980     -0.563770      2.026085
  N      -4.655408      0.421504      1.189004
  C      -5.706177      0.233000      0.335177
  N      -6.489409     -0.814125      0.256325
  C      -6.231534     -1.825809      1.143163
  C      -7.080441     -2.956220      1.148752
  C      -6.850785     -3.986622      2.036931
  C      -5.763140     -3.929175      2.937837
  C      -4.917774     -2.836748      2.951589
  C      -5.135497     -1.754617      2.062059
  C      -4.319555      5.808472      5.672876
  C      -3.608114      6.902294      4.828300
  C      -3.642271      6.503302      3.386484
  N      -4.764556      6.804298      2.734821
  C      -4.939647      6.257823      1.510387
  N      -4.142714      5.404649      0.886269
  C      -2.952951      5.131685      1.508569
  C      -2.044991      4.235028      0.896406
  C      -0.848985      3.934172      1.515628
  C      -0.516018      4.512917      2.762181
  C      -1.388993      5.382316      3.384386
  C      -2.626895      5.707527      2.778105
  C      -6.694959      1.722848      5.483367
  C      -6.654028      0.555976      4.470683
  C      -7.763371      0.589292      3.463849
  N      -7.779368      1.662021      2.664888
  C      -8.738446      1.734296      1.703086
  N      -9.669830      0.843130      1.449203
  C      -9.677292     -0.270681      2.242493
  C     -10.639290     -1.279014      1.999492
  C     -10.669633     -2.409808      2.790232
  C      -9.750140     -2.572918      3.852383
  C      -8.796785     -1.609934      4.108313
  C      -8.732091     -0.441202      3.308059
  H      -2.879775      1.664286      2.306146
  H      -1.385378      0.859751      2.766417
  H      -3.371150     -0.797135      3.909779
  H      -2.387106     -1.157540      2.512445
  H      -5.907385      1.066061     -0.346577
  H      -7.912774     -2.975248      0.444556
  H      -7.514536     -4.852557      2.047762
  H      -5.590791     -4.757047      3.627133
  H      -4.081208     -2.810788      3.649881
  H      -5.276134      5.575180      5.184487
  H      -4.558359      6.243399      6.660797
  H      -4.178329      7.834569      4.942034
  H      -2.590193      7.069819      5.204443
  H      -5.869938      6.525188      0.998289
  H      -2.317415      3.804054     -0.067896
  H      -0.148608      3.245942      1.039211
  H       0.438074      4.268227      3.231403
  H      -1.125077      5.822426      4.345906
  H      -7.418228      1.504549      6.286830
  H      -7.051233      2.624843      4.965821
  H      -5.707433      0.673401      3.920617
  H      -6.592710     -0.406410      4.991657
  H      -8.710065      2.631392      1.076230
  H     -11.342162     -1.129637      1.179158
  H     -11.409802     -3.187996      2.598088
  H      -9.795095     -3.471652      4.469029
  H      -8.088494     -1.754925      4.923804
  N      -4.572859      3.258506      3.372310
  N      -5.326865      2.924013      2.222750
  H      -4.876421      2.082114      1.739335
  H      -6.338657      2.602187      2.438667
  H      -5.307853      3.713116      1.548396
91
Coordinates from ORCA-job orca E -6141.650473221051
  N      -2.556594      1.562632      4.370883
  Mo     -3.954080      2.842497      5.035559
  N      -5.377135      1.948721      6.051101
  C      -5.156215      1.497957      7.422599
  C      -3.680667      1.171184      7.608414
  N      -2.850344      2.229102      6.977648
  C      -1.520318      1.726160      6.565648
  C      -1.669320      0.888605      5.311018
  C      -2.732844      3.443762      7.827107
  C      -2.551132      4.651765      6.919566
  N      -3.576653      4.595351      5.878353
  H      -0.672395      0.743305      4.854265
  H      -2.036629     -0.126723      5.565662
  H      -0.894675      2.601459      6.343773
  H      -1.042147      1.158065      7.383050
  H      -2.651395      5.575091      7.514022
  H      -1.534001      4.665513      6.486276
  H      -3.674677      3.556683      8.380842
  H      -1.911364      3.328924      8.556212
  H      -5.752657      0.595736      7.644850
  H      -5.478506      2.273337      8.145097
  H      -3.455009      0.228971      7.090814
  H      -3.417726      1.051399      8.673750
  C      -2.476042      0.983500      3.032023
  C      -3.133034     -0.413558      2.906938
  C      -4.354536     -0.554488      2.033040
  N      -4.694954      0.437298      1.213442
  C      -5.758497      0.247887      0.375369
  N      -6.527017     -0.809166      0.290829
  C      -6.238512     -1.832720      1.154301
  C      -7.066739     -2.977906      1.149645
  C      -6.807050     -4.020123      2.016008
  C      -5.710944     -3.958099      2.905787
  C      -4.884888     -2.850615      2.928540
  C      -5.131702     -1.758534      2.059887
  C      -4.310152      5.833132      5.664291
  C      -3.564407      6.902245      4.813931
  C      -3.598654      6.495432      3.375090
  N      -4.716363      6.810078      2.720980
  C      -4.894681      6.269919      1.494478
  N      -4.106028      5.408869      0.870382
  C      -2.921016      5.122458      1.494420
  C      -2.016547      4.226658      0.877044
  C      -0.819690      3.920597      1.492240
  C      -0.482995      4.491229      2.741753
  C      -1.353735      5.358444      3.370246
  C      -2.591342      5.690045      2.766956
  C      -6.709405      1.719506      5.495035
  C      -6.675518      0.551481      4.483140
  C      -7.782432      0.587964      3.473425
  N      -7.802424      1.663273      2.677819
  C      -8.761624      1.735105      1.716152
  N      -9.688797      0.841440      1.457543
  C      -9.691923     -0.276268      2.245629
  C     -10.649331     -1.287043      1.996482
  C     -10.674840     -2.422523      2.780822
  C      -9.754377     -2.587316      3.841792
  C      -8.806044     -1.620989      4.104139
  C      -8.746450     -0.446831      3.310853
  H      -2.916272      1.680377      2.313371
  H      -1.409222      0.891085      2.758149
  H      -3.382069     -0.782251      3.913904
  H      -2.398252     -1.139374      2.516668
  H      -5.981909      1.087513     -0.291316
  H      -7.907683     -2.999601      0.455859
  H      -7.453476     -4.899120      2.018013
  H      -5.516221     -4.794268      3.578807
  H      -4.041010     -2.822772      3.618141
  H      -5.264610      5.613597      5.166170
  H      -4.553328      6.285177      6.643575
  H      -4.109520      7.850507      4.914900
  H      -2.546368      7.043710      5.200345
  H      -5.819046      6.553585      0.980177
  H      -2.291485      3.801373     -0.089179
  H      -0.121221      3.234862      1.009591
  H       0.471574      4.242700      3.207837
  H      -1.089324      5.793144      4.333975
  H      -7.433061      1.502903      6.298747
  H      -7.061185      2.623991      4.979232
  H      -5.727757      0.658370      3.932858
  H      -6.623234     -0.409490      5.007606
  H      -8.738459      2.634157      1.092209
  H     -11.352602     -1.136527      1.176786
  H     -11.411297     -3.203102      2.584047
  H      -9.794865     -3.489913      4.453061
  H      -8.097605     -1.767088      4.919245
  N      -4.598731      3.277544      3.393170
  N      -5.350816      2.942113      2.243237
  H      -4.903569      2.089968      1.770940
  H      -6.364871      2.626500      2.462307
  H      -5.325589      3.725703      1.563571
91
Coordinates from ORCA-job orca E -6141.650584812020
  N      -2.565212      1.589249      4.355304
  Mo     -3.970503      2.853081      5.036503
  N      -5.379675      1.935188      6.049320
  C      -5.146711      1.467504      7.412742
  C      -3.665547      1.159637      7.588489
  N      -2.853042      2.236602      6.966330
  C      -1.516929      1.758163      6.544577
  C      -1.658935      0.926510      5.285103
  C      -2.751733      3.443375      7.828489
  C      -2.584416      4.663996      6.935507
  N      -3.603914      4.603990      5.888196
  H      -0.662736      0.802937      4.820172
  H      -2.004887     -0.097334      5.535800
  H      -0.906802      2.645399      6.326528
  H      -1.025887      1.191964      7.355714
  H      -2.703096      5.577926      7.540930
  H      -1.564886      4.699115      6.508281
  H      -3.695619      3.538356      8.382147
  H      -1.929407      3.331504      8.557023
  H      -5.728470      0.553311      7.624822
  H      -5.477226      2.227488      8.147859
  H      -3.429712      0.227097      7.058154
  H      -3.396025      1.030935      8.651029
  C      -2.489959      1.013132      3.015430
  C      -3.139313     -0.387691      2.898398
  C      -4.367262     -0.540056      2.035888
  N      -4.734836      0.450596      1.226927
  C      -5.806252      0.247769      0.401933
  N      -6.559308     -0.821257      0.322818
  C      -6.242342     -1.844575      1.176973
  C      -7.049185     -3.004936      1.176116
  C      -6.756531     -4.049102      2.029930
  C      -5.650131     -3.971788      2.905528
  C      -4.845505     -2.848572      2.925206
  C      -5.124405     -1.756191      2.066907
  C      -4.320120      5.848234      5.653407
  C      -3.550593      6.900011      4.804220
  C      -3.572044      6.482746      3.367413
  N      -4.676241      6.810248      2.697087
  C      -4.843949      6.271303      1.468316
  N      -4.058153      5.399078      0.856696
  C      -2.886863      5.096573      1.498830
  C      -1.983339      4.191822      0.893194
  C      -0.798289      3.872797      1.524475
  C      -0.472478      4.439311      2.778576
  C      -1.341454      5.316869      3.394892
  C      -2.567447      5.661789      2.775299
  C      -6.714432      1.707281      5.498527
  C      -6.683208      0.547905      4.476879
  C      -7.795485      0.590975      3.473195
  N      -7.824489      1.676577      2.692279
  C      -8.791758      1.759249      1.739742
  N      -9.721988      0.869061      1.479561
  C      -9.716483     -0.258805      2.253034
  C     -10.681221     -1.263024      2.005213
  C     -10.699460     -2.408409      2.775179
  C      -9.761269     -2.591727      3.817478
  C      -8.806316     -1.631602      4.078797
  C      -8.757154     -0.445050      3.303374
  H      -2.940866      1.706447      2.299597
  H      -1.424878      0.927471      2.732729
  H      -3.380055     -0.754003      3.908506
  H      -2.402841     -1.110317      2.505753
  H      -6.054009      1.087693     -0.255560
  H      -7.898962     -3.038148      0.493612
  H      -7.382747     -4.942542      2.031608
  H      -5.429441     -4.808820      3.569437
  H      -3.993292     -2.808568      3.603802
  H      -5.269557      5.635202      5.143439
  H      -4.570505      6.311392      6.625620
  H      -4.085196      7.855604      4.891265
  H      -2.535628      7.033815      5.201056
  H      -5.755370      6.569983      0.939344
  H      -2.248974      3.772222     -0.078172
  H      -0.100205      3.180583      1.050550
  H       0.473230      4.180595      3.257097
  H      -1.084990      5.749500      4.361641
  H      -7.433614      1.482791      6.304099
  H      -7.070682      2.614964      4.991613
  H      -5.738039      0.661090      3.923089
  H      -6.627499     -0.417624      4.992548
  H      -8.774292      2.665636      1.126075
  H     -11.397113     -1.098528      1.199251
  H     -11.445001     -3.181356      2.582500
  H      -9.794529     -3.502782      4.416512
  H      -8.086486     -1.791308      4.881192
  N      -4.629418      3.293739      3.401072
  N      -5.382585      2.956056      2.252461
  H      -4.935526      2.102468      1.780174
  H      -6.394617      2.638202      2.473269
  H      -5.357938      3.737257      1.571050
91
Coordinates from ORCA-job orca E -6141.650723237206
  N      -2.565557      1.620996      4.340687
  Mo     -3.983433      2.862761      5.036801
  N      -5.378385      1.914123      6.042045
  C      -5.134617      1.422953      7.394498
  C      -3.647221      1.141709      7.563290
  N      -2.857836      2.243877      6.956997
  C      -1.511949      1.799021      6.527830
  C      -1.638695      0.974130      5.261619
  C      -2.782294      3.440797      7.835211
  C      -2.629429      4.676003      6.959892
  N      -3.635817      4.611571      5.899280
  H      -0.642062      0.879318      4.790772
  H      -1.958019     -0.060079      5.505264
  H      -0.922934      2.701941      6.316332
  H      -1.005972      1.237481      7.332952
  H      -2.772114      5.579179      7.576099
  H      -1.606120      4.735205      6.544182
  H      -3.731251      3.513041      8.383715
  H      -1.962949      3.334033      8.567765
  H      -5.696264      0.492411      7.589581
  H      -5.480037      2.160335      8.145882
  H      -3.395180      0.223541      7.015551
  H      -3.373726      1.000333      8.623039
  C      -2.499142      1.039981      3.003465
  C      -3.144593     -0.363652      2.895319
  C      -4.368742     -0.519851      2.027930
  N      -4.734646      0.468648      1.215866
  C      -5.805161      0.264852      0.390704
  N      -6.558740     -0.804494      0.313186
  C      -6.241989     -1.826836      1.169130
  C      -7.048679     -2.987403      1.170511
  C      -6.754302     -4.031415      2.024166
  C      -5.647361     -3.952184      2.898874
  C      -4.843735     -2.828283      2.917385
  C      -5.124217     -1.736635      2.058915
  C      -4.337403      5.859604      5.638691
  C      -3.542608      6.890384      4.789639
  C      -3.547580      6.461202      3.355200
  N      -4.637786      6.794780      2.665685
  C      -4.785537      6.258481      1.432671
  N      -3.992788      5.384234      0.833918
  C      -2.835492      5.073907      1.496834
  C      -1.919357      4.174813      0.901142
  C      -0.744543      3.854632      1.550594
  C      -0.441997      4.412757      2.814002
  C      -1.322102      5.286308      3.419548
  C      -2.537713      5.633796      2.780980
  C      -6.716008      1.688726      5.499289
  C      -6.692063      0.527261      4.480431
  C      -7.809090      0.572775      3.482645
  N      -7.842854      1.658551      2.702853
  C      -8.819631      1.745868      1.760838
  N      -9.757208      0.860429      1.511282
  C      -9.746087     -0.269003      2.282435
  C     -10.718595     -1.268236      2.044968
  C     -10.729527     -2.417122      2.809760
  C      -9.774401     -2.609666      3.834874
  C      -8.812419     -1.653947      4.086196
  C      -8.772686     -0.462347      3.318244
  H      -2.960237      1.726771      2.287334
  H      -1.436569      0.958437      2.710817
  H      -3.393106     -0.720544      3.907045
  H      -2.405470     -1.089176      2.513701
  H      -6.052640      1.102779     -0.269306
  H      -7.899835     -3.021772      0.489768
  H      -7.377748     -4.926683      2.026653
  H      -5.425350     -4.788117      3.563701
  H      -3.992114     -2.786011      3.596379
  H      -5.279290      5.648071      5.114662
  H      -4.598924      6.336105      6.601170
  H      -4.064791      7.854224      4.859401
  H      -2.531431      7.016922      5.198206
  H      -5.684219      6.565347      0.886724
  H      -2.164975      3.764796     -0.079677
  H      -0.035935      3.168763      1.083148
  H       0.495556      4.152177      3.307307
  H      -1.083581      5.714271      4.392880
  H      -7.432582      1.467566      6.308150
  H      -7.070959      2.596311      4.991699
  H      -5.749001      0.635859      3.922451
  H      -6.640128     -0.438026      4.996879
  H      -8.806097      2.652756      1.147925
  H     -11.445886     -1.097437      1.250690
  H     -11.482886     -3.184714      2.626813
  H      -9.799477     -3.524576      4.428315
  H      -8.079285     -1.822001      4.874694
  N      -4.656588      3.314979      3.408426
  N      -5.413328      2.961132      2.264610
  H      -4.959412      2.109322      1.794719
  H      -6.421670      2.636114      2.493251
  H      -5.395657      3.736011      1.576969
91
Coordinates from ORCA-job orca E -6141.650857824123
  N      -2.566806      1.630132      4.327319
  Mo     -3.988342      2.865370      5.027405
  N      -5.378869      1.901429      6.024842
  C      -5.130852      1.393096      7.369905
  C      -3.640676      1.125218      7.537800
  N      -2.862322      2.241959      6.944896
  C      -1.510639      1.818158      6.513011
  C      -1.626251      0.996807      5.243296
  C      -2.804028      3.430751      7.835146
  C      -2.662053      4.677147      6.974120
  N      -3.657401      4.612302      5.902783
  H      -0.629365      0.922182      4.769233
  H      -1.926403     -0.044138      5.482925
  H      -0.936208      2.731357      6.305736
  H      -0.995824      1.260492      7.315146
  H      -2.823648      5.570754      7.599568
  H      -1.635924      4.755721      6.568787
  H      -3.755628      3.486250      8.381028
  H      -1.986076      3.326854      8.569580
  H      -5.681167      0.452986      7.551391
  H      -5.486475      2.115364      8.131251
  H      -3.380158      0.215851      6.979200
  H      -3.367054      0.974094      8.596047
  C      -2.505071      1.045199      2.992428
  C      -3.152545     -0.358852      2.895390
  C      -4.373703     -0.520267      2.024854
  N      -4.745060      0.467475      1.214932
  C      -5.814206      0.258878      0.389300
  N      -6.563081     -0.814344      0.311712
  C      -6.241868     -1.835376      1.167739
  C      -7.043636     -2.999582      1.171323
  C      -6.742190     -4.042842      2.023394
  C      -5.633342     -3.958704      2.895404
  C      -4.835555     -2.830901      2.912930
  C      -5.123359     -1.740412      2.055379
  C      -4.352625      5.862836      5.634711
  C      -3.544598      6.883964      4.788999
  C      -3.531602      6.453220      3.354045
  N      -4.617519      6.774860      2.653480
  C      -4.743367      6.241703      1.416101
  N      -3.930353      5.384115      0.821605
  C      -2.777026      5.086054      1.496566
  C      -1.837273      4.209278      0.903465
  C      -0.664706      3.904367      1.564163
  C      -0.388802      4.454662      2.836826
  C      -1.291586      5.306764      3.439345
  C      -2.504909      5.639758      2.789034
  C      -6.718251      1.677595      5.487052
  C      -6.703796      0.508581      4.476058
  C      -7.825223      0.555301      3.483276
  N      -7.857125      1.637542      2.698862
  C      -8.841966      1.729260      1.765644
  N      -9.792042      0.852790      1.531947
  C      -9.782971     -0.273080      2.308125
  C     -10.770898     -1.261627      2.089207
  C     -10.783474     -2.407930      2.857614
  C      -9.813198     -2.609543      3.866829
  C      -8.837199     -1.663732      4.100788
  C      -8.797643     -0.473300      3.331212
  H      -2.968255      1.728317      2.273753
  H      -1.444039      0.961022      2.695288
  H      -3.409812     -0.702236      3.909710
  H      -2.412883     -1.090216      2.526897
  H      -6.066489      1.095520     -0.270378
  H      -7.896949     -3.037544      0.493311
  H      -7.360142     -4.941776      2.026797
  H      -5.405003     -4.793996      3.558942
  H      -3.982566     -2.783728      3.589717
  H      -5.291662      5.654032      5.104765
  H      -4.616199      6.343774      6.594165
  H      -4.063886      7.850330      4.848681
  H      -2.537078      7.010588      5.206362
  H      -5.639576      6.538946      0.861049
  H      -2.062864      3.806879     -0.085306
  H       0.062775      3.237272      1.098475
  H       0.546864      4.205481      3.339605
  H      -1.072436      5.729215      4.419735
  H      -7.433615      1.466201      6.299704
  H      -7.070329      2.582974      4.973785
  H      -5.762132      0.608787      3.914411
  H      -6.657555     -0.453964      4.998047
  H      -8.824642      2.631652      1.146363
  H     -11.508020     -1.084734      1.305382
  H     -11.550056     -3.165978      2.690044
  H      -9.837262     -3.523690      4.461478
  H      -8.092069     -1.840075      4.876187
  N      -4.664991      3.325600      3.401940
  N      -5.422836      2.961816      2.259352
  H      -4.962107      2.117797      1.783848
  H      -6.427487      2.627939      2.488767
  H      -5.415019      3.735199      1.571935
91
Coordinates from ORCA-job orca E -6141.651012331326
  N      -2.574898      1.672097      4.309851
  Mo     -4.006784      2.881341      5.028791
  N      -5.381048      1.887156      6.020095
  C      -5.116639      1.353340      7.352310
  C      -3.621261      1.110731      7.509865
  N      -2.866503      2.251929      6.933985
  C      -1.507731      1.864936      6.489854
  C      -1.610701      1.054566      5.211351
  C      -2.833251      3.429001      7.840794
  C      -2.710520      4.691289      6.999733
  N      -3.692006      4.626335      5.915299
  H      -0.615577      1.013152      4.729425
  H      -1.880071      0.003094      5.441253
  H      -0.957676      2.794411      6.289189
  H      -0.974566      1.311702      7.282957
  H      -2.900568      5.570625      7.637861
  H      -1.681425      4.801223      6.609498
  H      -3.786961      3.459052      8.384686
  H      -2.016116      3.330610      8.576895
  H      -5.647580      0.398467      7.514407
  H      -5.485407      2.050762      8.130503
  H      -3.345489      0.215551      6.935670
  H      -3.341606      0.946468      8.564617
  C      -2.524173      1.088410      2.973715
  C      -3.158656     -0.322808      2.885391
  C      -4.378954     -0.498428      2.016121
  N      -4.768034      0.489555      1.215706
  C      -5.842888      0.275127      0.398632
  N      -6.580572     -0.805497      0.321225
  C      -6.241296     -1.828007      1.167948
  C      -7.034640     -2.997863      1.176882
  C      -6.717876     -4.040357      2.023797
  C      -5.599858     -3.951543      2.883861
  C      -4.810055     -2.817979      2.896264
  C      -5.115092     -1.727482      2.044648
  C      -4.361998      5.885076      5.619625
  C      -3.519677      6.874411      4.768429
  C      -3.494288      6.428008      3.337685
  N      -4.567362      6.751684      2.619514
  C      -4.676069      6.214830      1.381398
  N      -3.856053      5.355389      0.800226
  C      -2.716211      5.052397      1.494775
  C      -1.771341      4.168978      0.919210
  C      -0.612718      3.856782      1.600804
  C      -0.356769      4.406026      2.877923
  C      -1.265624      5.263498      3.463963
  C      -2.464915      5.603937      2.792243
  C      -6.725567      1.663707      5.496996
  C      -6.725470      0.494974      4.485375
  C      -7.855545      0.548713      3.503153
  N      -7.897663      1.639745      2.731508
  C      -8.890271      1.738548      1.807153
  N      -9.838181      0.860596      1.570473
  C      -9.817583     -0.275074      2.332294
  C     -10.798639     -1.268780      2.105394
  C     -10.796639     -2.426135      2.857206
  C      -9.820235     -2.632842      3.859582
  C      -8.851152     -1.682233      4.101478
  C      -8.825017     -0.481536      3.347201
  H      -3.003618      1.767378      2.262220
  H      -1.466588      1.016232      2.661302
  H      -3.416983     -0.658517      3.902276
  H      -2.413427     -1.052996      2.526394
  H      -6.109443      1.112371     -0.254629
  H      -7.896332     -3.038970      0.509505
  H      -7.332610     -4.941485      2.034203
  H      -5.359164     -4.787017      3.542773
  H      -3.950336     -2.765900      3.564224
  H      -5.298619      5.685971      5.082642
  H      -4.624768      6.387647      6.568059
  H      -4.016588      7.853859      4.808062
  H      -2.515238      6.983083      5.197509
  H      -5.564251      6.510802      0.812502
  H      -1.982905      3.765729     -0.072267
  H       0.118803      3.184836      1.148556
  H       0.567821      4.151058      3.398062
  H      -1.061085      5.683584      4.448632
  H      -7.433283      1.456117      6.317599
  H      -7.080688      2.569473      4.986725
  H      -5.789225      0.595143      3.915100
  H      -6.677044     -0.467961      5.006199
  H      -8.882297      2.649045      1.199386
  H     -11.540031     -1.088343      1.326372
  H     -11.555177     -3.190178      2.680245
  H      -9.831983     -3.556164      4.440286
  H      -8.097746     -1.865137      4.867325
  N      -4.696011      3.350353      3.410413
  N      -5.467508      2.971334      2.279225
  H      -5.009545      2.128172      1.799220
  H      -6.469000      2.634742      2.520044
  H      -5.475923      3.739323      1.588113
91
Coordinates from ORCA-job orca E -6141.651120398405
  N      -2.587823      1.696203      4.299331
  Mo     -4.019373      2.898065      5.027568
  N      -5.387883      1.890947      6.014762
  C      -5.113898      1.337801      7.337835
  C      -3.616417      1.106974      7.489667
  N      -2.872089      2.260270      6.925233
  C      -1.511546      1.891192      6.473773
  C      -1.610758      1.086738      5.191177
  C      -2.851838      3.428922      7.842515
  C      -2.740753      4.702716      7.017431
  N      -3.710424      4.640299      5.922822
  H      -0.617349      1.062606      4.704395
  H      -1.864043      0.030024      5.415439
  H      -0.973079      2.828022      6.275324
  H      -0.968497      1.339522      7.261389
  H      -2.952262      5.569693      7.666074
  H      -1.708960      4.837144      6.641504
  H      -3.806320      3.442521      8.385616
  H      -2.034750      3.332404      8.578971
  H      -5.634434      0.374529      7.483674
  H      -5.490707      2.017547      8.127668
  H      -3.333370      0.219400      6.907455
  H      -3.333617      0.933875      8.542357
  C      -2.547364      1.112383      2.962279
  C      -3.180102     -0.299887      2.879578
  C      -4.400367     -0.483119      2.011629
  N      -4.805893      0.507271      1.222417
  C      -5.883247      0.287652      0.409305
  N      -6.610003     -0.799359      0.328082
  C      -6.254375     -1.825021      1.163650
  C      -7.036400     -3.002557      1.169118
  C      -6.703604     -4.047953      2.005998
  C      -5.579132     -3.956292      2.857528
  C      -4.799722     -2.815625      2.872617
  C      -5.122493     -1.721135      2.032534
  C      -4.358618      5.905875      5.609025
  C      -3.492289      6.871785      4.754874
  C      -3.457874      6.413954      3.328024
  N      -4.520845      6.737822      2.596271
  C      -4.611732      6.202226      1.355531
  N      -3.781221      5.348581      0.781354
  C      -2.653029      5.042104      1.492554
  C      -1.699275      4.161023      0.927844
  C      -0.551608      3.844821      1.626021
  C      -0.316159      4.388153      2.909703
  C      -1.234837      5.242074      3.485973
  C      -2.422387      5.587711      2.796329
  C      -6.735086      1.663526      5.501479
  C      -6.743694      0.489566      4.494774
  C      -7.880883      0.539940      3.520356
  N      -7.934711      1.634395      2.754127
  C      -8.932101      1.728251      1.834104
  N      -9.872606      0.842689      1.596277
  C      -9.839318     -0.296166      2.352200
  C     -10.809793     -1.299428      2.121696
  C     -10.794989     -2.459702      2.868520
  C      -9.816530     -2.660038      3.870402
  C      -8.856840     -1.700643      4.115207
  C      -8.843174     -0.497151      3.364695
  H      -3.032952      1.792456      2.256545
  H      -1.492610      1.041908      2.640473
  H      -3.440567     -0.627966      3.898807
  H      -2.434044     -1.032684      2.527998
  H      -6.161981      1.127253     -0.235977
  H      -7.902350     -3.046628      0.507467
  H      -7.311526     -4.953799      2.014840
  H      -5.325200     -4.795422      3.506760
  H      -3.934162     -2.760844      3.532936
  H      -5.294836      5.716065      5.068344
  H      -4.618273      6.424009      6.549783
  H      -3.972634      7.860212      4.780387
  H      -2.490438      6.966625      5.192773
  H      -5.492546      6.498096      0.775132
  H      -1.897071      3.759375     -0.067087
  H       0.186435      3.174010      1.182750
  H       0.600162      4.130982      3.443335
  H      -1.044472      5.656156      4.476101
  H      -7.436901      1.461380      6.328632
  H      -7.094173      2.566705      4.989468
  H      -5.812136      0.588274      3.916686
  H      -6.690076     -0.470728      5.019749
  H      -8.935548      2.641945      1.231507
  H     -11.553543     -1.123484      1.343827
  H     -11.544278     -3.231967      2.687260
  H      -9.819401     -3.585174      4.448403
  H      -8.101266     -1.878513      4.880108
  N      -4.716635      3.370305      3.414240
  N      -5.502479      2.984408      2.293894
  H      -5.045472      2.145306      1.806648
  H      -6.497528      2.639204      2.542367
  H      -5.531274      3.752647      1.604754
91
Coordinates from ORCA-job orca E -6141.651193155894
  N      -2.596923      1.699931      4.295835
  Mo     -4.024713      2.904132      5.025924
  N      -5.393615      1.898828      6.015050
  C      -5.114482      1.338312      7.334989
  C      -3.616842      1.108632      7.483568
  N      -2.873320      2.262973      6.920524
  C      -1.514447      1.894493      6.466473
  C      -1.617128      1.090393      5.183933
  C      -2.854623      3.429942      7.839151
  C      -2.747082      4.707139      7.019130
  N      -3.712230      4.645478      5.921464
  H      -0.624645      1.067063      4.695089
  H      -1.869270      0.033215      5.407259
  H      -0.975481      2.830776      6.265959
  H      -0.969366      1.342334      7.252545
  H      -2.966570      5.569287      7.671899
  H      -1.713867      4.851866      6.649876
  H      -3.808677      3.438717      8.383156
  H      -2.036570      3.333829      8.574632
  H      -5.633399      0.373247      7.474404
  H      -5.492220      2.012148      8.129195
  H      -3.332762      0.221470      6.901666
  H      -3.332115      0.934390      8.535760
  C      -2.561380      1.118196      2.957280
  C      -3.194356     -0.292903      2.875911
  C      -4.417012     -0.477970      2.012196
  N      -4.834712      0.515825      1.233109
  C      -5.913852      0.293593      0.422850
  N      -6.633647     -0.797109      0.338025
  C      -6.265773     -1.826385      1.163514
  C      -7.038465     -3.010142      1.162610
  C      -6.692554     -4.059846      1.988723
  C      -5.564421     -3.967025      2.835220
  C      -4.793612     -2.820665      2.855781
  C      -5.129523     -1.721593      2.026863
  C      -4.352805      5.912867      5.600529
  C      -3.484124      6.875067      4.744198
  C      -3.441977      6.409172      3.320814
  N      -4.502774      6.724246      2.582104
  C      -4.581714      6.186068      1.341601
  N      -3.741103      5.339162      0.772441
  C      -2.617042      5.039020      1.492794
  C      -1.654994      4.162570      0.935730
  C      -0.510634      3.852659      1.642066
  C      -0.286803      4.398853      2.926852
  C      -1.214583      5.247316      3.496733
  C      -2.398425      5.587196      2.797641
  C      -6.742713      1.668006      5.508493
  C      -6.755341      0.491002      4.504368
  C      -7.895768      0.538710      3.533043
  N      -7.956348      1.636271      2.771589
  C      -8.954567      1.726540      1.851932
  N      -9.886701      0.834054      1.607646
  C      -9.846078     -0.307493      2.358526
  C     -10.808521     -1.317039      2.122364
  C     -10.789558     -2.477675      2.868256
  C      -9.814644     -2.672622      3.874673
  C      -8.861495     -1.707727      4.124066
  C      -8.851757     -0.503981      3.373684
  H      -3.048932      1.801545      2.256101
  H      -1.507784      1.047557      2.632136
  H      -3.451557     -0.620107      3.896577
  H      -2.449545     -1.026478      2.523454
  H      -6.200496      1.136144     -0.215100
  H      -7.905784     -3.056097      0.503130
  H      -7.293190     -4.970612      1.991585
  H      -5.300427     -4.810349      3.474858
  H      -3.924157     -2.765093      3.510964
  H      -5.289500      5.724608      5.059969
  H      -4.612466      6.435956      6.538630
  H      -3.965362      7.863130      4.762170
  H      -2.484783      6.971773      5.187151
  H      -5.460349      6.476416      0.754899
  H      -1.845116      3.756036     -0.058632
  H       0.233514      3.184506      1.205148
  H       0.627623      4.148112      3.466741
  H      -1.032149      5.662255      4.487906
  H      -7.439857      1.467541      6.339958
  H      -7.106415      2.569303      4.996414
  H      -5.825921      0.587379      3.922197
  H      -6.698251     -0.467739      5.031769
  H      -8.966560      2.644044      1.255453
  H     -11.551447     -1.144212      1.343033
  H     -11.532973     -3.254669      2.683094
  H      -9.817005     -3.596702      4.454308
  H      -8.110948     -1.878881      4.895335
  N      -4.724196      3.374603      3.413375
  N      -5.521968      2.993346      2.300609
  H      -5.070307      2.153130      1.810309
  H      -6.515130      2.649433      2.552646
  H      -5.560699      3.764557      1.615074
91
Coordinates from ORCA-job orca E -6141.651240319083
  N      -2.608773      1.713717      4.286886
  Mo     -4.034897      2.915038      5.024356
  N      -5.400240      1.906420      6.015155
  C      -5.113504      1.335236      7.329641
  C      -3.614344      1.111849      7.472554
  N      -2.876838      2.271416      6.912183
  C      -1.518012      1.909680      6.453353
  C      -1.621802      1.107374      5.169210
  C      -2.862411      3.434871      7.834864
  C      -2.758319      4.716324      7.021413
  N      -3.718471      4.654710      5.919879
  H      -0.631117      1.089971      4.676286
  H      -1.867859      0.048216      5.390139
  H      -0.982706      2.848117      6.252274
  H      -0.967713      1.358238      7.236461
  H      -2.985723      5.573145      7.678755
  H      -1.723936      4.870398      6.658343
  H      -3.817028      3.437566      8.378171
  H      -2.044435      3.338783      8.570490
  H      -5.626721      0.366034      7.460754
  H      -5.493282      1.999364      8.130978
  H      -3.327506      0.228252      6.886805
  H      -3.325417      0.934450      8.523156
  C      -2.581293      1.132055      2.947837
  C      -3.216881     -0.277259      2.868430
  C      -4.442200     -0.461008      2.008232
  N      -4.868800      0.536771      1.238647
  C      -5.948110      0.313708      0.428904
  N      -6.661920     -0.780549      0.337821
  C      -6.285013     -1.813993      1.154152
  C      -7.049816     -3.003015      1.145026
  C      -6.693928     -4.057597      1.960874
  C      -5.564402     -3.964082      2.805420
  C      -4.801203     -2.812806      2.833634
  C      -5.146900     -1.708755      2.015412
  C      -4.348641      5.924211      5.587615
  C      -3.470470      6.878676      4.733139
  C      -3.414857      6.402641      3.313727
  N      -4.464695      6.720060      2.560213
  C      -4.527839      6.180874      1.319062
  N      -3.682449      5.330780      0.762203
  C      -2.570728      5.025745      1.499543
  C      -1.602428      4.148611      0.955157
  C      -0.468372      3.836181      1.676851
  C      -0.261413      4.380653      2.965366
  C      -1.195112      5.230835      3.522845
  C      -2.368321      5.573921      2.807126
  C      -6.750603      1.672454      5.513963
  C      -6.764718      0.490711      4.515465
  C      -7.908136      0.529406      3.546924
  N      -7.979204      1.625803      2.784815
  C      -8.979370      1.705148      1.866019
  N      -9.900977      0.802010      1.620456
  C      -9.849157     -0.338196      2.372374
  C     -10.800871     -1.357924      2.136289
  C     -10.772269     -2.516311      2.885332
  C      -9.797802     -2.699061      3.894477
  C      -8.854052     -1.724553      4.142915
  C      -8.854046     -0.523023      3.388928
  H      -3.071985      1.817256      2.250357
  H      -1.529556      1.060210      2.617237
  H      -3.471182     -0.604639      3.890008
  H      -2.474324     -1.011887      2.513414
  H      -6.240518      1.159521     -0.202141
  H      -7.917819     -3.049776      0.486564
  H      -7.287493     -4.973068      1.956387
  H      -5.293277     -4.811030      3.437326
  H      -3.930683     -2.756473      3.487382
  H      -5.282537      5.738391      5.041160
  H      -4.613237      6.452852      6.521352
  H      -3.949811      7.867593      4.740177
  H      -2.475534      6.976099      5.185963
  H      -5.395600      6.476591      0.718768
  H      -1.778232      3.744007     -0.042617
  H       0.280969      3.167661      1.249350
  H       0.645171      4.128156      3.517659
  H      -1.025136      5.644606      4.516714
  H      -7.444906      1.474043      6.348224
  H      -7.117220      2.571216      4.999619
  H      -5.837518      0.583520      3.929052
  H      -6.703759     -0.465166      5.047821
  H      -9.002414      2.622640      1.269765
  H     -11.544757     -1.193879      1.355916
  H     -11.508068     -3.300775      2.701325
  H      -9.793821     -3.620902      4.477725
  H      -8.105179     -1.884859      4.918158
  N      -4.741834      3.387615      3.415667
  N      -5.550047      3.010734      2.309458
  H      -5.096239      2.175576      1.810809
  H      -6.537394      2.660018      2.566575
  H      -5.600267      3.787108      1.630486
91
Coordinates from ORCA-job orca E -6141.651284686141
  N      -2.619759      1.724803      4.284306
  Mo     -4.046557      2.920667      5.027851
  N      -5.407045      1.908899      6.022006
  C      -5.112629      1.330649      7.332258
  C      -3.612151      1.113987      7.470177
  N      -2.881306      2.278054      6.910294
  C      -1.522237      1.923043      6.447336
  C      -1.626059      1.122103      5.161626
  C      -2.871495      3.439627      7.835166
  C      -2.770324      4.723475      7.025268
  N      -3.725458      4.660469      5.919739
  H      -0.637153      1.110626      4.664915
  H      -1.865854      0.061159      5.380863
  H      -0.990999      2.863698      6.245808
  H      -0.967079      1.373046      7.228012
  H      -3.004470      5.577040      7.684765
  H      -1.734931      4.884131      6.667823
  H      -3.826700      3.437811      8.377416
  H      -2.053952      3.344787      8.571446
  H      -5.620620      0.358032      7.458089
  H      -5.493682      1.987558      8.138878
  H      -3.321964      0.232787      6.882499
  H      -3.319641      0.936083      8.519691
  C      -2.596933      1.145753      2.943883
  C      -3.233410     -0.262387      2.864001
  C      -4.459883     -0.444065      2.005094
  N      -4.892913      0.556891      1.243202
  C      -5.972955      0.333705      0.434655
  N      -6.681980     -0.763470      0.338130
  C      -6.298143     -1.800392      1.146942
  C      -7.056191     -2.993735      1.130818
  C      -6.692189     -4.052165      1.938201
  C      -5.562325     -3.957450      2.782049
  C      -4.805868     -2.801983      2.816940
  C      -5.158793     -1.694619      2.006491
  C      -4.345232      5.931343      5.573460
  C      -3.459208      6.875170      4.715471
  C      -3.393159      6.385347      3.300808
  N      -4.437463      6.697519      2.536806
  C      -4.488322      6.154634      1.296622
  N      -3.636040      5.305408      0.749539
  C      -2.531050      5.004137      1.498308
  C      -1.554178      4.131261      0.963039
  C      -0.423910      3.826225      1.693624
  C      -0.229351      4.374197      2.982658
  C      -1.171543      5.220569      3.531566
  C      -2.341637      5.555349      2.806741
  C      -6.758904      1.672286      5.526940
  C      -6.774745      0.489413      4.530495
  C      -7.920536      0.524340      3.564651
  N      -8.002622      1.625109      2.810382
  C      -9.005266      1.702018      1.894124
  N      -9.916981      0.790991      1.641188
  C      -9.852875     -0.354614      2.384194
  C     -10.794683     -1.381817      2.140971
  C     -10.755503     -2.544537      2.882887
  C      -9.779831     -2.724290      3.891297
  C      -8.845254     -1.742635      4.146202
  C      -8.855997     -0.536550      3.399608
  H      -3.091197      1.832862      2.250396
  H      -1.546325      1.075108      2.609787
  H      -3.486420     -0.591719      3.885331
  H      -2.492116     -0.997336      2.507057
  H      -6.270466      1.182283     -0.190120
  H      -7.924793     -3.041133      0.473267
  H      -7.279308     -4.971676      1.927023
  H      -5.285809     -4.806862      3.408253
  H      -3.935401     -2.744537      3.470551
  H      -5.277248      5.746901      5.023394
  H      -4.612568      6.468223      6.501851
  H      -3.937683      7.864272      4.709675
  H      -2.467893      6.976255      5.175714
  H      -5.349796      6.449607      0.686604
  H      -1.719008      3.725694     -0.036217
  H       0.332848      3.162082      1.272429
  H       0.674918      4.128561      3.541797
  H      -1.010813      5.637660      4.525505
  H      -7.449945      1.473344      6.363806
  H      -7.128929      2.569894      5.013114
  H      -5.849480      0.580497      3.940466
  H      -6.711077     -0.465621      5.064106
  H      -9.040777      2.625443      1.307432
  H     -11.540389     -1.219751      1.361966
  H     -11.484262     -3.334455      2.694563
  H      -9.768019     -3.649437      4.469117
  H      -8.096236     -1.899676      4.921898
  N      -4.761035      3.392668      3.421963
  N      -5.585026      3.020563      2.326342
  H      -5.133974      2.187315      1.820044
  H      -6.568399      2.668354      2.594387
  H      -5.647694      3.800379      1.653242
91
Coordinates from ORCA-job orca E -6141.651336034103
  N      -2.639701      1.741070      4.274321
  Mo     -4.062766      2.933410      5.027180
  N      -5.417611      1.922594      6.030348
  C      -5.113993      1.338953      7.336577
  C      -3.612433      1.125870      7.466527
  N      -2.886490      2.291188      6.902575
  C      -1.529547      1.938739      6.431351
  C      -1.638721      1.139558      5.144377
  C      -2.874794      3.452479      7.827939
  C      -2.774902      4.736495      7.018814
  N      -3.728482      4.673997      5.912883
  H      -0.652985      1.131513      4.641407
  H      -1.874743      0.077450      5.362126
  H      -1.000629      2.880197      6.227656
  H      -0.968530      1.389205      7.208084
  H      -3.009582      5.589563      7.679204
  H      -1.739418      4.898176      6.662444
  H      -3.828790      3.449900      8.372209
  H      -2.055747      3.357276      8.562533
  H      -5.618648      0.364295      7.459747
  H      -5.493059      1.990968      8.148060
  H      -3.322318      0.244925      6.878293
  H      -3.314230      0.949526      8.514661
  C      -2.624205      1.166048      2.931815
  C      -3.263566     -0.240143      2.849398
  C      -4.490048     -0.417404      1.989255
  N      -4.926621      0.588055      1.235505
  C      -6.004090      0.366268      0.423140
  N      -6.706700     -0.734387      0.314946
  C      -6.319713     -1.775902      1.116439
  C      -7.070460     -2.973726      1.087709
  C      -6.702570     -4.036719      1.887277
  C      -5.576935     -3.941534      2.736732
  C      -4.827784     -2.781931      2.783812
  C      -5.183540     -1.670515      1.980151
  C      -4.339753      5.946798      5.557602
  C      -3.444819      6.878152      4.695510
  C      -3.359661      6.370200      3.287709
  N      -4.392904      6.674020      2.505088
  C      -4.424228      6.120156      1.268978
  N      -3.562572      5.267937      0.742263
  C      -2.469570      4.973853      1.510763
  C      -1.483590      4.098212      0.997647
  C      -0.363723      3.801431      1.747246
  C      -0.189402      4.360200      3.034637
  C      -1.141417      5.209019      3.562501
  C      -2.301623      5.534831      2.817874
  C      -6.770495      1.677641      5.542104
  C      -6.788081      0.486639      4.556339
  C      -7.936182      0.509068      3.592429
  N      -8.033957      1.609569      2.840189
  C      -9.038355      1.673635      1.924560
  N      -9.935354      0.749134      1.668217
  C      -9.854075     -0.397224      2.408731
  C     -10.780210     -1.437846      2.162423
  C     -10.724725     -2.601160      2.902526
  C      -9.747349     -2.768099      3.911383
  C      -8.827704     -1.773159      4.169045
  C      -8.855486     -0.565835      3.424863
  H      -3.122039      1.856342      2.243573
  H      -1.575212      1.095603      2.593243
  H      -3.516412     -0.573352      3.869470
  H      -2.523977     -0.975660      2.489907
  H      -6.304876      1.219296     -0.193851
  H      -7.936829     -3.020949      0.427169
  H      -7.283006     -4.960228      1.865743
  H      -5.298375     -4.793896      3.358021
  H      -3.961006     -2.723970      3.442165
  H      -5.271690      5.765843      5.006382
  H      -4.606133      6.491280      6.482050
  H      -3.924163      7.866508      4.671371
  H      -2.459120      6.986530      5.166453
  H      -5.276371      6.409466      0.643260
  H      -1.631472      3.685238     -0.001140
  H       0.401089      3.136278      1.342422
  H       0.707050      4.121407      3.609167
  H      -0.997062      5.634239      4.555535
  H      -7.458307      1.483582      6.382952
  H      -7.144557      2.570180      5.022599
  H      -5.864744      0.571470      3.961990
  H      -6.721426     -0.463685      5.098127
  H      -9.090045      2.598361      1.341132
  H     -11.527507     -1.285743      1.382929
  H     -11.441910     -3.401275      2.712812
  H      -9.721991     -3.694346      4.487019
  H      -8.076745     -1.920522      4.944792
  N      -4.785553      3.404851      3.425339
  N      -5.630517      3.038897      2.343824
  H      -5.180022      2.213839      1.821818
  H      -6.605557      2.679390      2.627127
  H      -5.714190      3.827648      1.683445
91
Coordinates from ORCA-job orca E -6141.651402810555
  N      -2.660664      1.769776      4.256021
  Mo     -4.085178      2.948184      5.025064
  N      -5.423871      1.923933      6.036123
  C      -5.103537      1.328876      7.333024
  C      -3.598450      1.131649      7.449472
  N      -2.890426      2.308732      6.887048
  C      -1.532904      1.975234      6.403074
  C      -1.642253      1.179941      5.113454
  C      -2.886862      3.464864      7.819145
  C      -2.799020      4.755139      7.018314
  N      -3.747523      4.689297      5.908720
  H      -0.661909      1.188663      4.600314
  H      -1.860788      0.113615      5.328946
  H      -1.017963      2.924271      6.199415
  H      -0.958377      1.429917      7.172701
  H      -3.044824      5.601446      7.683391
  H      -1.764130      4.929377      6.666488
  H      -3.840075      3.450737      8.364394
  H      -2.066100      3.372314      8.552075
  H      -5.595431      0.346780      7.449188
  H      -5.483929      1.967011      8.154880
  H      -3.303013      0.258081      6.852748
  H      -3.290029      0.952400      8.494043
  C      -2.659426      1.194791      2.913529
  C      -3.296282     -0.213039      2.837486
  C      -4.527599     -0.391280      1.983526
  N      -4.977965      0.617682      1.242886
  C      -6.057383      0.394244      0.433854
  N      -6.747137     -0.713289      0.313952
  C      -6.346273     -1.759484      1.102384
  C      -7.082872     -2.965493      1.061029
  C      -6.702190     -4.032792      1.848484
  C      -5.577066     -3.933459      2.698249
  C      -4.841022     -2.766163      2.756891
  C      -5.209591     -1.650604      1.964774
  C      -4.343614      5.964158      5.534006
  C      -3.432218      6.874367      4.667663
  C      -3.322193      6.340503      3.270412
  N      -4.340684      6.629518      2.463299
  C      -4.343662      6.060840      1.233009
  N      -3.466503      5.208889      0.733386
  C      -2.388916      4.928910      1.527468
  C      -1.385167      4.057133      1.042219
  C      -0.278566      3.776356      1.816972
  C      -0.135169      4.347996      3.102549
  C      -1.104205      5.194083      3.602796
  C      -2.252297      5.502963      2.832591
  C      -6.778940      1.672246      5.558565
  C      -6.800564      0.477816      4.578230
  C      -7.953744      0.495400      3.620230
  N      -8.071169      1.603841      2.883194
  C      -9.082640      1.667622      1.975795
  N      -9.970259      0.735629      1.714311
  C      -9.867916     -0.420085      2.438321
  C     -10.783437     -1.468371      2.185156
  C     -10.706712     -2.641776      2.907357
  C      -9.717325     -2.811443      3.903752
  C      -8.808299     -1.808720      4.168184
  C      -8.858587     -0.590391      3.443525
  H      -3.169689      1.882460      2.231715
  H      -1.614463      1.128996      2.562578
  H      -3.543093     -0.546659      3.858885
  H      -2.557888     -0.947872      2.474410
  H      -6.371045      1.251194     -0.171090
  H      -7.950392     -3.015191      0.402221
  H      -7.271373     -4.962902      1.817490
  H      -5.288531     -4.788684      3.310910
  H      -3.974870     -2.705130      3.415670
  H      -5.272019      5.785578      4.976516
  H      -4.612065      6.521882      6.449812
  H      -3.909515      7.862827      4.616139
  H      -2.453830      6.992761      5.151580
  H      -5.184596      6.338385      0.586926
  H      -1.508927      3.635363      0.043811
  H       0.500187      3.114677      1.433707
  H       0.751610      4.122514      3.697056
  H      -0.983793      5.630993      4.593833
  H      -7.460896      1.479835      6.404732
  H      -7.158665      2.561894      5.038499
  H      -5.880687      0.559582      3.977728
  H      -6.731131     -0.471008      5.122195
  H      -9.150798      2.599585      1.405578
  H     -11.539275     -1.314674      1.414343
  H     -11.415920     -3.447813      2.713056
  H      -9.673015     -3.746705      4.463332
  H      -8.046341     -1.959687      4.932394
  N      -4.824445      3.419713      3.431335
  N      -5.692223      3.056307      2.366008
  H      -5.242501      2.241215      1.826876
  H      -6.656691      2.686146      2.668646
  H      -5.800530      3.850833      1.717994
91
Coordinates from ORCA-job orca E -6141.651472790122
  N      -2.680383      1.794464      4.232816
  Mo     -4.103793      2.962953      5.015731
  N      -5.426041      1.926391      6.036462
  C      -5.091559      1.326424      7.326831
  C      -3.583928      1.140606      7.430182
  N      -2.891294      2.326059      6.866716
  C      -1.534755      2.006893      6.369491
  C      -1.647827      1.213967      5.079112
  C      -2.891724      3.478000      7.804031
  C      -2.816124      4.772822      7.009469
  N      -3.763166      4.705032      5.899389
  H      -0.672938      1.235246      4.556354
  H      -1.853136      0.144979      5.294594
  H      -1.031491      2.961688      6.164344
  H      -0.948184      1.465036      7.132399
  H      -3.068319      5.614644      7.677694
  H      -1.782765      4.955326      6.657661
  H      -3.842817      3.454367      8.352596
  H      -2.067794      3.387617      8.533597
  H      -5.574234      0.339574      7.442008
  H      -5.470495      1.956775      8.155355
  H      -3.286380      0.272453      6.826630
  H      -3.265638      0.960143      8.471534
  C      -2.690815      1.218836      2.890688
  C      -3.329907     -0.188911      2.819181
  C      -4.562411     -0.367157      1.965748
  N      -5.017894      0.643244      1.230547
  C      -6.097651      0.419661      0.421910
  N      -6.780080     -0.691175      0.293725
  C      -6.374692     -1.739484      1.076609
  C      -7.104358     -2.949213      1.027260
  C      -6.721939     -4.017395      1.812261
  C      -5.600541     -3.915614      2.666899
  C      -4.870140     -2.745250      2.732223
  C      -5.240603     -1.628908      1.941867
  C      -4.349185      5.982348      5.514333
  C      -3.424054      6.876666      4.647029
  C      -3.286667      6.320403      3.260835
  N      -4.290469      6.589435      2.429463
  C      -4.263893      6.002238      1.207855
  N      -3.368880      5.153320      0.737079
  C      -2.305628      4.894228      1.555822
  C      -1.283556      4.026389      1.101705
  C      -0.191357      3.764391      1.902669
  C      -0.080515      4.351820      3.184491
  C      -1.067230      5.194791      3.654031
  C      -2.202059      5.484664      2.856620
  C      -6.782718      1.666063      5.567940
  C      -6.811154      0.462073      4.599955
  C      -7.969399      0.472698      3.647277
  N      -8.104060      1.584730      2.918826
  C      -9.120736      1.643882      2.017204
  N     -10.002224      0.705706      1.757386
  C      -9.882032     -0.454399      2.472014
  C     -10.788860     -1.509776      2.217584
  C     -10.692212     -2.689702      2.926657
  C      -9.690405     -2.858772      3.910560
  C      -8.790379     -1.848501      4.176816
  C      -8.861912     -0.622716      3.466658
  H      -3.207741      1.905191      2.212711
  H      -1.649164      1.152764      2.530907
  H      -3.576832     -0.519734      3.841526
  H      -2.593205     -0.925934      2.457358
  H      -6.418553      1.279032     -0.175816
  H      -7.970175     -3.000431      0.366310
  H      -7.286777     -4.949953      1.776892
  H      -5.310314     -4.771278      3.278124
  H      -4.006662     -2.682724      3.394418
  H      -5.275052      5.806181      4.952304
  H      -4.617258      6.548718      6.424704
  H      -3.901206      7.863958      4.569314
  H      -2.453486      7.006919      5.143405
  H      -5.095339      6.261598      0.542274
  H      -1.384761      3.590428      0.106888
  H       0.600784      3.104685      1.544236
  H       0.795246      4.141023      3.800341
  H      -0.972282      5.645414      4.641469
  H      -7.460315      1.482442      6.419825
  H      -7.165747      2.550395      5.041608
  H      -5.894451      0.536066      3.993543
  H      -6.741704     -0.482135      5.151755
  H      -9.199861      2.577381      1.451000
  H     -11.553000     -1.357101      1.454814
  H     -11.394475     -3.501503      2.731033
  H      -9.628059     -3.800018      4.458248
  H      -8.016536     -2.001142      4.928660
  N      -4.859510      3.432207      3.429634
  N      -5.748197      3.067134      2.379998
  H      -5.295324      2.268099      1.821447
  H      -6.698501      2.677141      2.701980
  H      -5.888398      3.868352      1.747335
91
Coordinates from ORCA-job orca E -6141.651529111705
  N      -2.696538      1.816560      4.210159
  Mo     -4.119977      2.973734      5.006949
  N      -5.425771      1.921932      6.034155
  C      -5.077874      1.317463      7.318330
  C      -3.568065      1.143882      7.409964
  N      -2.891071      2.338641      6.847652
  C      -1.535232      2.034800      6.338366
  C      -1.650858      1.244974      5.046195
  C      -2.897822      3.485711      7.790654
  C      -2.835424      4.785787      7.003179
  N      -3.780475      4.716129      5.891583
  H      -0.680763      1.279729      4.515501
  H      -1.842611      0.173197      5.260386
  H      -1.043467      2.995324      6.132699
  H      -0.937513      1.495855      7.094778
  H      -3.096163      5.622174      7.674838
  H      -1.803363      4.978989      6.653012
  H      -3.847129      3.450707      8.341792
  H      -2.071317      3.398428      8.517651
  H      -5.551542      0.326082      7.432369
  H      -5.456397      1.940158      8.152775
  H      -3.267502      0.281842      6.799482
  H      -3.240662      0.961074      8.448112
  C      -2.716644      1.241613      2.867949
  C      -3.357199     -0.165919      2.799966
  C      -4.591882     -0.345645      1.949513
  N      -5.054914      0.665869      1.220723
  C      -6.137186      0.441484      0.415589
  N      -6.814284     -0.671756      0.283734
  C      -6.401421     -1.721839      1.059950
  C      -7.125803     -2.934548      1.007387
  C      -6.738363     -4.003425      1.788737
  C      -5.615719     -3.900254      2.641697
  C      -4.889175     -2.727563      2.708796
  C      -5.265546     -1.610276      1.922538
  C      -4.356456      5.994442      5.493489
  C      -3.419837      6.876098      4.626437
  C      -3.257144      6.300005      3.251011
  N      -4.247286      6.547808      2.397669
  C      -4.189506      5.947361      1.183396
  N      -3.273221      5.108897      0.736515
  C      -2.223765      4.870692      1.578353
  C      -1.180453      4.013382      1.151648
  C      -0.103052      3.769680      1.977616
  C      -0.026926      4.367068      3.257610
  C      -1.033457      5.200813      3.699986
  C      -2.155487      5.471417      2.877021
  C      -6.785293      1.656830      5.576350
  C      -6.825153      0.441660      4.622203
  C      -7.987063      0.449954      3.673198
  N      -8.130678      1.563938      2.949161
  C      -9.149073      1.620000      2.049380
  N     -10.027663      0.678957      1.790650
  C      -9.897981     -0.483356      2.499729
  C     -10.798818     -1.543145      2.243037
  C     -10.690147     -2.727323      2.943076
  C      -9.682452     -2.895854      3.921006
  C      -8.788796     -1.880657      4.190295
  C      -8.872435     -0.650562      3.488942
  H      -3.238222      1.928621      2.194074
  H      -1.677868      1.174642      2.500654
  H      -3.602908     -0.493205      3.823945
  H      -2.622034     -0.904765      2.439038
  H      -6.466255      1.302666     -0.175194
  H      -7.992420     -2.987140      0.347648
  H      -7.300783     -4.937427      1.752680
  H      -5.321205     -4.756577      3.249898
  H      -4.024225     -2.664273      3.369064
  H      -5.278525      5.817316      4.925820
  H      -4.627196      6.569814      6.397290
  H      -3.897452      7.861398      4.525607
  H      -2.457074      7.017908      5.134257
  H      -5.012547      6.187389      0.500379
  H      -1.257267      3.567708      0.158879
  H       0.704353      3.116972      1.641143
  H       0.838134      4.171659      3.893349
  H      -0.964220      5.661093      4.684892
  H      -7.458244      1.485588      6.434719
  H      -7.169651      2.536132      5.042966
  H      -5.910663      0.502983      4.011111
  H      -6.760514     -0.497042      5.183740
  H      -9.232364      2.553593      1.484119
  H     -11.567171     -1.390876      1.484441
  H     -11.386864     -3.543123      2.744377
  H      -9.610243     -3.840258      4.461976
  H      -8.009667     -2.033605      4.936558
  N      -4.891234      3.442586      3.429509
  N      -5.797065      3.073814      2.394165
  H      -5.340763      2.290541      1.819893
  H      -6.733956      2.662363      2.731496
  H      -5.968329      3.879735      1.775534
91
Coordinates from ORCA-job orca E -6141.651575782133
  N      -2.701437      1.826999      4.185534
  Mo     -4.125626      2.975602      4.992403
  N      -5.418997      1.909569      6.022141
  C      -5.062980      1.305104      7.303545
  C      -3.551896      1.138782      7.386816
  N      -2.885437      2.340132      6.826514
  C      -1.530166      2.046532      6.309330
  C      -1.647986      1.259953      5.015301
  C      -2.895928      3.483021      7.773884
  C      -2.845055      4.787210      6.992370
  N      -3.792364      4.716831      5.882525
  H      -0.680567      1.303518      4.480453
  H      -1.831434      0.186384      5.227683
  H      -1.045208      3.010589      6.104388
  H      -0.925832      1.507948      7.060904
  H      -3.110149      5.619235      7.667635
  H      -1.815036      4.988463      6.640456
  H      -3.842925      3.438796      8.328477
  H      -2.066298      3.398255      8.497602
  H      -5.531988      0.311837      7.420256
  H      -5.440009      1.925749      8.140215
  H      -3.250817      0.281525      6.770189
  H      -3.217456      0.952508      8.422162
  C      -2.728147      1.250870      2.844260
  C      -3.366258     -0.157965      2.781250
  C      -4.603469     -0.342431      1.935911
  N      -5.068401      0.666003      1.203883
  C      -6.153692      0.438678      0.403840
  N      -6.833256     -0.673846      0.280983
  C      -6.418109     -1.720700      1.060151
  C      -7.145031     -2.932358      1.017402
  C      -6.756126     -3.997656      1.802882
  C      -5.628671     -3.892843      2.649248
  C      -4.898997     -2.721395      2.706215
  C      -5.277761     -1.607289      1.916663
  C      -4.367538      5.995635      5.483980
  C      -3.428894      6.882984      4.625354
  C      -3.243965      6.302790      3.254944
  N      -4.226668      6.532295      2.388536
  C      -4.148098      5.922512      1.180450
  N      -3.215925      5.093483      0.749349
  C      -2.173530      4.873796      1.604987
  C      -1.115286      4.025392      1.196749
  C      -0.046890      3.796959      2.038248
  C       0.006868      4.403575      3.315215
  C      -1.013334      5.229690      3.739140
  C      -2.128047      5.483994      2.900314
  C      -6.781722      1.645180      5.573164
  C      -6.834082      0.421499      4.629347
  C      -7.997859      0.433693      3.682240
  N      -8.138109      1.546657      2.955421
  C      -9.155102      1.603027      2.054117
  N     -10.038102      0.665201      1.799074
  C      -9.912421     -0.495486      2.510782
  C     -10.816263     -1.553217      2.256572
  C     -10.709776     -2.736920      2.957595
  C      -9.702473     -2.906495      3.935721
  C      -8.806348     -1.892866      4.203459
  C      -8.886864     -0.663943      3.499771
  H      -3.253636      1.936849      2.172066
  H      -1.691443      1.183617      2.471126
  H      -3.608128     -0.480772      3.807739
  H      -2.630793     -0.896648      2.420773
  H      -6.484238      1.297123     -0.190258
  H      -8.013973     -2.987089      0.360944
  H      -7.321834     -4.930036      1.775537
  H      -5.332513     -4.746814      3.259957
  H      -4.029771     -2.656970      3.360810
  H      -5.285014      5.815618      4.909920
  H      -4.645030      6.568735      6.387247
  H      -3.913619      7.863816      4.514422
  H      -2.473527      7.036229      5.143377
  H      -4.967852      6.144553      0.487517
  H      -1.176127      3.572312      0.206285
  H       0.771078      3.150040      1.716458
  H       0.865931      4.221489      3.962938
  H      -0.958969      5.699532      4.720414
  H      -7.450945      1.485236      6.436751
  H      -7.165134      2.521521      5.034506
  H      -5.920412      0.470162      4.016026
  H      -6.777689     -0.513074      5.198437
  H      -9.231925      2.534047      1.483774
  H     -11.584882     -1.399544      1.498496
  H     -11.407931     -3.551516      2.759091
  H      -9.633221     -3.849520      4.479492
  H      -8.028762     -2.046099      4.951254
  N      -4.908630      3.445595      3.420895
  N      -5.817817      3.069290      2.389843
  H      -5.356787      2.296911      1.809224
  H      -6.747046      2.641242      2.732616
  H      -6.007687      3.876370      1.777288
91
Coordinates from ORCA-job orca E -6141.651496058091
  N      -2.719927      1.834765      4.160945
  Mo     -4.139391      2.977261      4.985340
  N      -5.419895      1.905550      6.025226
  C      -5.050261      1.298806      7.301820
  C      -3.538002      1.136692      7.370082
  N      -2.880100      2.341027      6.805846
  C      -1.529160      2.052109      6.274824
  C      -1.657127      1.268429      4.979623
  C      -2.884911      3.482159      7.755361
  C      -2.843475      4.787605      6.975765
  N      -3.801050      4.717562      5.874484
  H      -0.694737      1.315715      4.435993
  H      -1.835703      0.193763      5.190541
  H      -1.048228      3.017742      6.067535
  H      -0.916249      1.513100      7.019059
  H      -3.103607      5.617899      7.655285
  H      -1.817127      4.991312      6.615079
  H      -3.826723      3.434851      8.318438
  H      -2.048525      3.398300      8.471435
  H      -5.515361      0.303915      7.420367
  H      -5.421092      1.916355      8.143650
  H      -3.240638      0.281549      6.748583
  H      -3.192707      0.948754      8.401546
  C      -2.759044      1.259573      2.819425
  C      -3.386565     -0.154338      2.762753
  C      -4.630374     -0.350135      1.929782
  N      -5.108850      0.651818      1.197528
  C      -6.199645      0.412808      0.408399
  N      -6.873699     -0.704783      0.298166
  C      -6.443987     -1.744966      1.078480
  C      -7.163163     -2.961763      1.048981
  C      -6.757879     -4.021159      1.834329
  C      -5.622072     -3.904770      2.667861
  C      -4.900424     -2.727802      2.712380
  C      -5.295588     -1.619676      1.922573
  C      -4.374804      5.997857      5.478608
  C      -3.431457      6.890832      4.630937
  C      -3.227297      6.312185      3.262494
  N      -4.198336      6.541861      2.382795
  C      -4.101091      5.935948      1.174010
  N      -3.161483      5.109116      0.754712
  C      -2.131401      4.888881      1.625076
  C      -1.066644      4.042271      1.230575
  C      -0.008738      3.815684      2.085684
  C       0.027601      4.422808      3.363037
  C      -0.999834      5.246535      3.773998
  C      -2.104908      5.497031      2.921689
  C      -6.784742      1.637977      5.585902
  C      -6.836472      0.414357      4.642310
  C      -7.993493      0.430453      3.687339
  N      -8.122195      1.542759      2.957418
  C      -9.130021      1.601825      2.046009
  N     -10.012486      0.665993      1.781730
  C      -9.898332     -0.494219      2.496334
  C     -10.802408     -1.549698      2.233272
  C     -10.707584     -2.732648      2.937347
  C      -9.711927     -2.903889      3.927066
  C      -8.815581     -1.892704      4.203368
  C      -8.884364     -0.664507      3.497084
  H      -3.297354      1.942201      2.153955
  H      -1.726192      1.200331      2.434158
  H      -3.615049     -0.479239      3.791647
  H      -2.648365     -0.886733      2.394974
  H      -6.540156      1.265443     -0.188448
  H      -8.038923     -3.025249      0.402347
  H      -7.316864     -4.957848      1.816471
  H      -5.313177     -4.754148      3.278765
  H      -4.024817     -2.654212      3.357468
  H      -5.288821      5.820332      4.898245
  H      -4.658157      6.566156      6.383239
  H      -3.919775      7.869243      4.515778
  H      -2.482963      7.048325      5.160706
  H      -4.910189      6.159720      0.469104
  H      -1.112424      3.591537      0.238270
  H       0.815051      3.171130      1.773945
  H       0.879166      4.243182      4.021355
  H      -0.958071      5.717229      4.755617
  H      -7.449158      1.475856      6.452784
  H      -7.172802      2.513026      5.048564
  H      -5.919327      0.459545      4.033774
  H      -6.785897     -0.520371      5.211647
  H      -9.198384      2.533054      1.474698
  H     -11.562110     -1.394693      1.466456
  H     -11.406108     -3.545362      2.732177
  H      -9.651766     -3.846428      4.472856
  H      -8.047279     -2.047002      4.960524
  N      -4.943739      3.446063      3.423766
  N      -5.864087      3.065834      2.403999
  H      -5.406584      2.298525      1.813116
  H      -6.786224      2.629817      2.757568
  H      -6.068433      3.873253      1.797166
91
Coordinates from ORCA-job orca E -6141.651616054277
  N      -2.719330      1.847732      4.143509
  Mo     -4.144348      2.980951      4.972242
  N      -5.421129      1.901202      6.009591
  C      -5.048395      1.295620      7.286211
  C      -3.535912      1.137597      7.352886
  N      -2.881988      2.345165      6.790990
  C      -1.530348      2.060638      6.259696
  C      -1.656008      1.280265      4.961528
  C      -2.890774      3.485320      7.741451
  C      -2.853768      4.791764      6.963171
  N      -3.814084      4.720056      5.863592
  H      -0.692770      1.331633      4.419577
  H      -1.832085      0.204349      5.167867
  H      -1.050555      3.027431      6.054824
  H      -0.916740      1.520436      7.002546
  H      -3.115359      5.620337      7.644527
  H      -1.828576      4.999468      6.601808
  H      -3.831986      3.433950      8.305230
  H      -2.053593      3.404353      8.457036
  H      -5.511578      0.300015      7.405981
  H      -5.419750      1.912927      8.128102
  H      -3.236994      0.284534      6.729275
  H      -3.188496      0.947545      8.383286
  C      -2.755310      1.280545      2.798678
  C      -3.376734     -0.135027      2.733151
  C      -4.624221     -0.327809      1.906002
  N      -5.107731      0.678916      1.183318
  C      -6.202983      0.443633      0.399518
  N      -6.880124     -0.672634      0.290124
  C      -6.444274     -1.717461      1.061041
  C      -7.165042     -2.933564      1.031502
  C      -6.751404     -3.998590      1.805121
  C      -5.606433     -3.888613      2.626709
  C      -4.883905     -2.712008      2.671823
  C      -5.287703     -1.597981      1.895092
  C      -4.383858      5.999659      5.461437
  C      -3.435976      6.894781      4.621263
  C      -3.211152      6.303600      3.261382
  N      -4.173255      6.517496      2.367620
  C      -4.060112      5.896247      1.168126
  N      -3.113423      5.065844      0.771404
  C      -2.093535      4.859350      1.657748
  C      -1.023642      4.007547      1.289018
  C       0.025110      3.796404      2.159110
  C       0.047935      4.426581      3.425600
  C      -0.984866      5.255367      3.811810
  C      -2.082534      5.487456      2.944984
  C      -6.790271      1.640062      5.579925
  C      -6.853289      0.409816      4.644920
  C      -8.020247      0.418855      3.702149
  N      -8.158873      1.526412      2.966678
  C      -9.173866      1.576618      2.062656
  N     -10.053063      0.635037      1.808284
  C      -9.930254     -0.519907      2.529685
  C     -10.831096     -1.581239      2.278923
  C     -10.728070     -2.758279      2.991802
  C      -9.728103     -2.917503      3.979187
  C      -8.834216     -1.900739      4.243259
  C      -8.910258     -0.679153      3.526345
  H      -3.295599      1.966174      2.137547
  H      -1.721976      1.227605      2.413074
  H      -3.598082     -0.468688      3.760875
  H      -2.637171     -0.861101      2.355556
  H      -6.544583      1.298489     -0.193559
  H      -8.046927     -2.992397      0.392763
  H      -7.311271     -4.934823      1.786242
  H      -5.291137     -4.742683      3.227814
  H      -4.001179     -2.643042      3.307653
  H      -5.291569      5.819385      4.871964
  H      -4.678117      6.568177      6.362802
  H      -3.929453      7.868559      4.492908
  H      -2.496127      7.062127      5.163681
  H      -4.861311      6.108140      0.450503
  H      -1.056048      3.543301      0.302438
  H       0.853615      3.148955      1.866275
  H       0.894001      4.261335      4.094782
  H      -0.950644      5.745318      4.784444
  H      -7.449412      1.485220      6.452078
  H      -7.178057      2.513680      5.040201
  H      -5.942400      0.449337      4.026516
  H      -6.797512     -0.520651      5.220612
  H      -9.249832      2.505171      1.487565
  H     -11.595682     -1.434702      1.515223
  H     -11.423747     -3.575626      2.795474
  H      -9.663336     -3.854711      4.533639
  H      -8.064451     -2.044203      5.001082
  N      -4.951424      3.450317      3.411545
  N      -5.863557      3.061783      2.387984
  H      -5.397353      2.304026      1.793024
  H      -6.782464      2.608899      2.735667
  H      -6.078109      3.868867      1.784270
91
Coordinates from ORCA-job orca E -6141.651295826607
  N      -2.730550      1.871304      4.124828
  Mo     -4.151082      2.998764      4.968757
  N      -5.430240      1.909773      5.993831
  C      -5.055525      1.285469      7.261171
  C      -3.542878      1.127013      7.325102
  N      -2.888811      2.341048      6.777685
  C      -1.537689      2.063636      6.241522
  C      -1.664320      1.297640      4.934737
  C      -2.898216      3.469596      7.741915
  C      -2.856471      4.785478      6.980213
  N      -3.810447      4.727246      5.874691
  H      -0.702521      1.356144      4.391075
  H      -1.838475      0.219318      5.129811
  H      -1.058779      3.032707      6.046241
  H      -0.922464      1.515837      6.977399
  H      -3.122104      5.605255      7.670837
  H      -1.829380      4.997564      6.628074
  H      -3.841052      3.412732      8.302322
  H      -2.063304      3.378838      8.458961
  H      -5.517594      0.287599      7.365833
  H      -5.427460      1.889326      8.112472
  H      -3.243667      0.281679      6.691124
  H      -3.194977      0.924398      8.352911
  C      -2.779186      1.302299      2.780914
  C      -3.398459     -0.114840      2.726725
  C      -4.646323     -0.318940      1.902291
  N      -5.129631      0.675829      1.163173
  C      -6.222465      0.426827      0.380317
  N      -6.897477     -0.692074      0.285696
  C      -6.461604     -1.724542      1.073021
  C      -7.179467     -2.942582      1.058752
  C      -6.764776     -3.995929      1.847613
  C      -5.622077     -3.871532      2.670278
  C      -4.902745     -2.692582      2.700964
  C      -5.307130     -1.590460      1.907722
  C      -4.365052      6.012808      5.470417
  C      -3.412065      6.893891      4.621235
  C      -3.187032      6.283550      3.269031
  N      -4.157609      6.469761      2.378155
  C      -4.044743      5.828923      1.188570
  N      -3.090530      5.003904      0.799656
  C      -2.062624      4.825527      1.682238
  C      -0.981783      3.985140      1.318427
  C       0.078266      3.806698      2.182011
  C       0.103277      4.461471      3.435908
  C      -0.939202      5.280435      3.816785
  C      -2.050714      5.475818      2.958495
  C      -6.799120      1.648583      5.563103
  C      -6.862094      0.416132      4.630453
  C      -8.035664      0.414632      3.695645
  N      -8.199967      1.527805      2.974473
  C      -9.225440      1.572771      2.082166
  N     -10.091690      0.620150      1.825422
  C      -9.941982     -0.541471      2.531229
  C     -10.828749     -1.613798      2.277409
  C     -10.700223     -2.797046      2.975801
  C      -9.687611     -2.951787      3.950818
  C      -8.807102     -1.924155      4.217650
  C      -8.909395     -0.695841      3.515683
  H      -3.327034      1.985358      2.123314
  H      -1.749377      1.250115      2.386611
  H      -3.617464     -0.441305      3.757262
  H      -2.657759     -0.842523      2.354587
  H      -6.564287      1.272252     -0.225936
  H      -8.059922     -3.012247      0.419220
  H      -7.321483     -4.934124      1.839404
  H      -5.306221     -4.716307      3.283991
  H      -4.022257     -2.612241      3.338404
  H      -5.275313      5.839737      4.883023
  H      -4.652525      6.587392      6.370279
  H      -3.904416      7.866366      4.479884
  H      -2.472786      7.067783      5.162538
  H      -4.852912      6.018979      0.472785
  H      -1.014699      3.503952      0.339958
  H       0.914898      3.168261      1.892634
  H       0.959888      4.325334      4.098171
  H      -0.900424      5.793414      4.777057
  H      -7.458215      1.493724      6.435355
  H      -7.187348      2.521704      5.023150
  H      -5.955573      0.457434      4.005281
  H      -6.797820     -0.512939      5.207538
  H      -9.324409      2.507937      1.521511
  H     -11.603585     -1.470613      1.523544
  H     -11.385749     -3.622562      2.778199
  H      -9.602579     -3.894147      4.493574
  H      -8.027666     -2.063910      4.966149
  N      -4.957286      3.494424      3.416276
  N      -5.880053      3.129026      2.394701
  H      -5.430999      2.361056      1.798382
  H      -6.810359      2.697787      2.741897
  H      -6.078332      3.942393      1.794472
91
Coordinates from ORCA-job orca E -6141.651620970339
  N      -2.720922      1.857497      4.135919
  Mo     -4.148392      2.982674      4.970779
  N      -5.419751      1.896427      6.007967
  C      -5.041156      1.285268      7.280248
  C      -3.527786      1.135136      7.343689
  N      -2.880890      2.347748      6.784677
  C      -1.528924      2.071743      6.249832
  C      -1.653005      1.293790      4.950149
  C      -2.896052      3.485243      7.738510
  C      -2.864252      4.794763      6.965209
  N      -3.818833      4.722015      5.861181
  H      -0.691527      1.351892      4.405922
  H      -1.823144      0.216458      5.154136
  H      -1.054710      3.041256      6.045539
  H      -0.910629      1.533207      6.989982
  H      -3.133534      5.619156      7.648837
  H      -1.839143      5.009571      6.609214
  H      -3.837646      3.427200      8.300905
  H      -2.059589      3.406313      8.455142
  H      -5.498573      0.286352      7.394811
  H      -5.414573      1.895486      8.126320
  H      -3.224850      0.285906      6.716727
  H      -3.177700      0.943592      8.372895
  C      -2.762075      1.288230      2.792110
  C      -3.391211     -0.124095      2.731143
  C      -4.639543     -0.311679      1.903554
  N      -5.114245      0.694341      1.174134
  C      -6.208783      0.461987      0.388459
  N      -6.892574     -0.650506      0.282403
  C      -6.466007     -1.694049      1.060042
  C      -7.193497     -2.906128      1.032998
  C      -6.788667     -3.970199      1.812444
  C      -5.646337     -3.862867      2.638101
  C      -4.917591     -2.690162      2.681116
  C      -5.311538     -1.577438      1.897303
  C      -4.385684      6.001390      5.452729
  C      -3.437687      6.890403      4.605579
  C      -3.201734      6.283300      3.254142
  N      -4.167485      6.466320      2.357617
  C      -4.045614      5.825119      1.169256
  N      -3.087445      5.001536      0.787238
  C      -2.063709      4.827834      1.675246
  C      -0.979137      3.989138      1.318977
  C       0.076813      3.814987      2.188493
  C       0.093724      4.472547      3.441086
  C      -0.952785      5.289749      3.814706
  C      -2.060145      5.480848      2.949972
  C      -6.788864      1.630953      5.580924
  C      -6.852689      0.400313      4.646414
  C      -8.022461      0.407427      3.706915
  N      -8.175024      1.521980      2.985097
  C      -9.196847      1.574749      2.088932
  N     -10.070303      0.629282      1.829811
  C      -9.932483     -0.533387      2.536211
  C     -10.827381     -1.598273      2.279667
  C     -10.711083     -2.782410      2.978614
  C      -9.702854     -2.945459      3.956859
  C      -8.814618     -1.925195      4.226336
  C      -8.904438     -0.696087      3.524005
  H      -3.302015      1.974346      2.131317
  H      -1.730259      1.230931      2.404038
  H      -3.614631     -0.454204      3.759528
  H      -2.655764     -0.855411      2.355648
  H      -6.544228      1.316298     -0.208821
  H      -8.073719     -2.962502      0.391816
  H      -7.353042     -4.903678      1.794863
  H      -5.338193     -4.715998      3.244145
  H      -4.037174     -2.623232      3.320244
  H      -5.293140      5.818931      4.863887
  H      -4.679803      6.575085      6.350951
  H      -3.937824      7.858773      4.462185
  H      -2.501799      7.072326      5.149883
  H      -4.849430      6.013073      0.448189
  H      -1.006792      3.504429      0.342147
  H       0.915878      3.176921      1.905378
  H       0.946999      4.339510      4.108266
  H      -0.920287      5.804957      4.773980
  H      -7.446424      1.475491      6.454279
  H      -7.178966      2.503612      5.041599
  H      -5.943950      0.439742      4.024487
  H      -6.794226     -0.530215      5.221865
  H      -9.286398      2.510217      1.527421
  H     -11.598439     -1.448766      1.523145
  H     -11.403090     -3.602061      2.779006
  H      -9.627255     -3.888490      4.499883
  H      -8.038230     -2.071767      4.976703
  N      -4.962381      3.450017      3.413268
  N      -5.881394      3.057536      2.397472
  H      -5.423338      2.287567      1.811674
  H      -6.804303      2.618847      2.751939
  H      -6.091060      3.859775      1.785361
91
Coordinates from ORCA-job orca E -6141.651462424250
  N      -2.737443      1.884430      4.101359
  Mo     -4.160011      2.999310      4.958832
  N      -5.415433      1.901592      6.003702
  C      -5.018545      1.281800      7.266382
  C      -3.503712      1.138275      7.310627
  N      -2.869843      2.359194      6.754708
  C      -1.521894      2.097121      6.203024
  C      -1.655185      1.325471      4.900325
  C      -2.883059      3.489679      7.716423
  C      -2.863813      4.804029      6.950994
  N      -3.828335      4.734885      5.855141
  H      -0.700493      1.394152      4.345475
  H      -1.814386      0.245776      5.100737
  H      -1.057349      3.071442      5.998710
  H      -0.891170      1.558732      6.932813
  H      -3.129897      5.623491      7.641798
  H      -1.842662      5.024847      6.586497
  H      -3.819306      3.422649      8.286798
  H      -2.039828      3.410635      8.425118
  H      -5.470813      0.280367      7.379171
  H      -5.384120      1.884213      8.121428
  H      -3.203957      0.295931      6.673070
  H      -3.140459      0.939591      8.333955
  C      -2.793659      1.314238      2.758105
  C      -3.397397     -0.110341      2.706784
  C      -4.653997     -0.326314      1.898793
  N      -5.165784      0.671058      1.182537
  C      -6.264683      0.414504      0.410458
  N      -6.920862     -0.714681      0.307672
  C      -6.456473     -1.750813      1.073516
  C      -7.155166     -2.979831      1.052387
  C      -6.714627     -4.036061      1.822997
  C      -5.562328     -3.904932      2.631164
  C      -4.860380     -2.715570      2.667221
  C      -5.293425     -1.609125      1.895230
  C      -4.390929      6.017295      5.450454
  C      -3.434377      6.904247      4.611927
  C      -3.187878      6.291066      3.265529
  N      -4.134487      6.489529      2.352119
  C      -4.003233      5.844193      1.167166
  N      -3.054804      5.000835      0.804140
  C      -2.051128      4.808653      1.711255
  C      -0.980272      3.942658      1.379290
  C       0.053649      3.746004      2.270186
  C       0.062185      4.408262      3.520633
  C      -0.971403      5.251692      3.870959
  C      -2.056765      5.466055      2.983724
  C      -6.791171      1.641703      5.595489
  C      -6.870225      0.416307      4.655728
  C      -8.043504      0.436285      3.720722
  N      -8.188947      1.552489      2.999551
  C      -9.205616      1.608611      2.097515
  N     -10.077952      0.664390      1.829764
  C      -9.946343     -0.499844      2.534371
  C     -10.834899     -1.566635      2.263854
  C     -10.720751     -2.754022      2.957692
  C      -9.723775     -2.917373      3.947266
  C      -8.841657     -1.895476      4.230171
  C      -8.926869     -0.664611      3.530482
  H      -3.354940      1.992224      2.106361
  H      -1.767640      1.273399      2.352679
  H      -3.596761     -0.444696      3.738778
  H      -2.653044     -0.826273      2.319275
  H      -6.630167      1.263024     -0.177447
  H      -8.043316     -3.054667      0.424194
  H      -7.259886     -4.981051      1.813077
  H      -5.225412     -4.752554      3.229622
  H      -3.971989     -2.630175      3.293037
  H      -5.296442      5.839922      4.856916
  H      -4.686065      6.588872      6.349680
  H      -3.929030      7.874521      4.462433
  H      -2.503303      7.082600      5.165430
  H      -4.790995      6.044902      0.431784
  H      -1.000684      3.455139      0.403650
  H       0.882252      3.086565      2.005830
  H       0.898736      4.257148      4.204920
  H      -0.944722      5.769244      4.829466
  H      -7.437327      1.483897      6.476925
  H      -7.185936      2.517890      5.065506
  H      -5.964539      0.452078      4.029427
  H      -6.815489     -0.517390      5.226399
  H      -9.288497      2.544557      1.535739
  H     -11.597835     -1.416661      1.499196
  H     -11.404819     -3.576712      2.744161
  H      -9.650762     -3.862501      4.487026
  H      -8.072233     -2.042760      4.987553
  N      -4.994305      3.471740      3.413841
  N      -5.921656      3.076661      2.406936
  H      -5.450777      2.341348      1.787393
  H      -6.821000      2.594886      2.766684
  H      -6.172029      3.888013      1.822557
91
Coordinates from ORCA-job orca E -6141.651623911738
  N      -2.731881      1.860874      4.122660
  Mo     -4.154631      2.988203      4.963271
  N      -5.428132      1.904706      6.000963
  C      -5.047789      1.289549      7.270947
  C      -3.534693      1.133923      7.329921
  N      -2.885193      2.345792      6.772634
  C      -1.534811      2.069042      6.234293
  C      -1.662405      1.294515      4.933094
  C      -2.895838      3.480767      7.729339
  C      -2.860612      4.791682      6.959178
  N      -3.816640      4.724731      5.856235
  H      -0.702264      1.352714      4.386613
  H      -1.833341      0.216904      5.135132
  H      -1.059983      3.038473      6.030992
  H      -0.915452      1.528082      6.971727
  H      -3.126222      5.615230      7.645244
  H      -1.835398      5.003833      6.601829
  H      -3.836888      3.424123      8.292723
  H      -2.058729      3.397639      8.444754
  H      -5.508129      0.291825      7.384247
  H      -5.416898      1.899022      8.119449
  H      -3.235937      0.285359      6.699957
  H      -3.182735      0.938622      8.357774
  C      -2.779591      1.290162      2.779557
  C      -3.397420     -0.127883      2.722420
  C      -4.650307     -0.326608      1.904219
  N      -5.146788      0.679649      1.189769
  C      -6.242724      0.438250      0.408706
  N      -6.907183     -0.684895      0.292570
  C      -6.458130     -1.730082      1.055309
  C      -7.164439     -2.954220      1.017158
  C      -6.737704     -4.020076      1.782253
  C      -5.593158     -3.902635      2.603442
  C      -4.884472     -2.718137      2.656739
  C      -5.301714     -1.603024      1.888430
  C      -4.379831      6.008127      5.454394
  C      -3.425854      6.900997      4.617721
  C      -3.181667      6.301731      3.264335
  N      -4.139713      6.493915      2.361462
  C      -4.011949      5.857849      1.170940
  N      -3.056033      5.029356      0.793652
  C      -2.038944      4.848470      1.687638
  C      -0.956535      4.004803      1.336682
  C       0.093645      3.824618      2.211984
  C       0.106816      4.481176      3.465172
  C      -0.938359      5.302289      3.834067
  C      -2.040336      5.498285      2.963787
  C      -6.799342      1.643097      5.578282
  C      -6.870594      0.405421      4.654233
  C      -8.038283      0.410445      3.712154
  N      -8.177331      1.514331      2.971611
  C      -9.193150      1.560764      2.068187
  N     -10.071559      0.617543      1.817722
  C      -9.947333     -0.534793      2.543551
  C     -10.846649     -1.598052      2.295882
  C     -10.743219     -2.772102      3.013724
  C      -9.744528     -2.925890      4.003087
  C      -8.851959     -1.907250      4.263816
  C      -8.927837     -0.688928      3.541409
  H      -3.328847      1.972048      2.122069
  H      -1.750241      1.240410      2.384139
  H      -3.607965     -0.463551      3.751630
  H      -2.658113     -0.850698      2.337976
  H      -6.596467      1.293753     -0.176142
  H      -8.047293     -3.017977      0.380310
  H      -7.286756     -4.962481      1.757297
  H      -5.267284     -4.757358      3.197859
  H      -4.001823     -2.643629      3.291939
  H      -5.285887      5.832434      4.861310
  H      -4.675261      6.576133      6.355669
  H      -3.924656      7.870470      4.476874
  H      -2.493324      7.079015      5.169073
  H      -4.809364      6.052961      0.444672
  H      -0.980396      3.522131      0.358750
  H       0.931318      3.183009      1.932809
  H       0.956117      4.344082      4.136550
  H      -0.908342      5.816894      4.793971
  H      -7.455861      1.496439      6.453923
  H      -7.186289      2.513886      5.033699
  H      -5.960463      0.432149      4.033660
  H      -6.819612     -0.520184      5.238279
  H      -9.271465      2.487411      1.490627
  H     -11.610054     -1.455892      1.530253
  H     -11.437704     -3.591082      2.820180
  H      -9.678764     -3.861218      4.560509
  H      -8.081568     -2.047505      5.021546
  N      -4.970452      3.462725      3.408551
  N      -5.892437      3.076551      2.393329
  H      -5.433520      2.316988      1.793267
  H      -6.811778      2.630072      2.747161
  H      -6.108934      3.884946      1.792184
91
Coordinates from ORCA-job orca E -6141.651540173256
  N      -2.715119      1.873331      4.109955
  Mo     -4.147347      2.984420      4.957153
  N      -5.412244      1.884942      5.988596
  C      -5.026281      1.265397      7.254931
  C      -3.512138      1.122878      7.313641
  N      -2.872309      2.343080      6.763049
  C      -1.520260      2.078732      6.223307
  C      -1.643026      1.309155      4.918643
  C      -2.891935      3.474146      7.724410
  C      -2.867440      4.788761      6.959537
  N      -3.824059      4.719318      5.856825
  H      -0.682742      1.375537      4.373224
  H      -1.807821      0.229692      5.115730
  H      -1.052169      3.052232      6.023722
  H      -0.896985      1.538625      6.958217
  H      -3.138889      5.607542      7.649091
  H      -1.844193      5.010408      6.602487
  H      -3.832235      3.407339      8.288041
  H      -2.053952      3.395061      8.439341
  H      -5.478528      0.263403      7.362792
  H      -5.400671      1.867068      8.106629
  H      -3.205885      0.280312      6.679453
  H      -3.158726      0.924558      8.340504
  C      -2.760844      1.303390      2.766590
  C      -3.378747     -0.113948      2.714034
  C      -4.636750     -0.314870      1.904793
  N      -5.127125      0.682202      1.173354
  C      -6.235095      0.438667      0.410079
  N      -6.918438     -0.676135      0.329225
  C      -6.474843     -1.710307      1.109833
  C      -7.199463     -2.924507      1.109219
  C      -6.775624     -3.980147      1.890277
  C      -5.618097     -3.861341      2.692855
  C      -4.892661     -2.685977      2.710739
  C      -5.304651     -1.582461      1.923230
  C      -4.394249      5.999147      5.454986
  C      -3.448675      6.894450      4.611588
  C      -3.203765      6.283579      3.263551
  N      -4.167210      6.455751      2.362377
  C      -4.041125      5.802050      1.181257
  N      -3.082313      4.972845      0.812374
  C      -2.060463      4.810860      1.704776
  C      -0.975941      3.965631      1.363332
  C       0.079046      3.804797      2.236598
  C       0.096172      4.484248      3.477545
  C      -0.950749      5.307088      3.837374
  C      -2.058688      5.482301      2.969857
  C      -6.784094      1.621494      5.568490
  C      -6.854496      0.399863      4.621839
  C      -8.030664      0.417001      3.690136
  N      -8.192188      1.542317      2.987141
  C      -9.222357      1.606962      2.101258
  N     -10.096440      0.664067      1.835605
  C      -9.950386     -0.508878      2.522913
  C     -10.847975     -1.569982      2.260497
  C     -10.725749     -2.763244      2.942587
  C      -9.707593     -2.940113      3.908219
  C      -8.816173     -1.923840      4.182779
  C      -8.912968     -0.684933      3.498626
  H      -3.310599      1.984714      2.108964
  H      -1.731355      1.253454      2.371153
  H      -3.584634     -0.444840      3.745869
  H      -2.642073     -0.839300      2.329351
  H      -6.583343      1.285678     -0.190313
  H      -8.091064     -2.989837      0.484798
  H      -7.336114     -4.916133      1.890850
  H      -5.295313     -4.707943      3.300427
  H      -4.000249     -2.610031      3.332049
  H      -5.300557      5.816150      4.864469
  H      -4.690820      6.568063      6.355466
  H      -3.955270      7.858858      4.464497
  H      -2.516645      7.082871      5.160011
  H      -4.841284      5.983481      0.454653
  H      -1.002275      3.465543      0.394185
  H       0.917933      3.161697      1.964541
  H       0.950096      4.363675      4.146269
  H      -0.915989      5.840285      4.786828
  H      -7.435188      1.456997      6.445037
  H      -7.178929      2.499061      5.040673
  H      -5.950138      0.445519      3.993976
  H      -6.792186     -0.536457      5.187402
  H      -9.319235      2.551123      1.555806
  H     -11.627075     -1.409565      1.514509
  H     -11.421368     -3.579174      2.739984
  H      -9.628590     -3.889781      4.439079
  H      -8.034273     -2.079643      4.925504
  N      -4.969431      3.457684      3.405598
  N      -5.885851      3.062269      2.389379
  H      -5.429040      2.289201      1.807160
  H      -6.811009      2.624893      2.741650
  H      -6.094057      3.862767      1.773932
91
Coordinates from ORCA-job orca E -6141.651538064864
  N      -2.730623      1.883537      4.108276
  Mo     -4.160004      2.993888      4.960430
  N      -5.415870      1.894462      6.003460
  C      -5.021870      1.279956      7.269463
  C      -3.507114      1.140331      7.319238
  N      -2.874063      2.360612      6.761450
  C      -1.524267      2.098687      6.214501
  C      -1.651661      1.325567      4.912209
  C      -2.892251      3.494096      7.719749
  C      -2.873987      4.807076      6.951809
  N      -3.833140      4.732816      5.851613
  H      -0.694800      1.395950      4.361405
  H      -1.810294      0.245727      5.112281
  H      -1.060490      3.073181      6.009920
  H      -0.895230      1.562225      6.947188
  H      -3.145957      5.626976      7.639752
  H      -1.852193      5.030161      6.591217
  H      -3.830114      3.426196      8.287315
  H      -2.051311      3.418827      8.431578
  H      -5.471683      0.277600      7.384058
  H      -5.392228      1.884108      8.121185
  H      -3.203281      0.296879      6.685137
  H      -3.146809      0.945601      8.344387
  C      -2.775682      1.319627      2.762232
  C      -3.390895     -0.098783      2.697572
  C      -4.637753     -0.298891      1.870806
  N      -5.123193      0.702673      1.142211
  C      -6.215362      0.459755      0.356413
  N      -6.886245     -0.660026      0.247763
  C      -6.447543     -1.700415      1.022763
  C      -7.160687     -2.920896      0.992066
  C      -6.744083     -3.982027      1.769337
  C      -5.603561     -3.863536      2.595984
  C      -4.888390     -2.682565      2.642208
  C      -5.295058     -1.572507      1.861126
  C      -4.396562      6.012703      5.439660
  C      -3.443922      6.896561      4.592801
  C      -3.189287      6.269251      3.254242
  N      -4.143562      6.432628      2.342034
  C      -4.007190      5.765149      1.169876
  N      -3.046305      4.930789      0.819275
  C      -2.033707      4.776791      1.723301
  C      -0.947703      3.925445      1.401887
  C       0.097336      3.770481      2.287861
  C       0.103497      4.462997      3.521807
  C      -0.944549      5.292508      3.861902
  C      -2.043225      5.461793      2.981105
  C      -6.790505      1.630019      5.593921
  C      -6.871540      0.392712      4.669127
  C      -8.044612      0.405482      3.733377
  N      -8.191650      1.518229      3.007375
  C      -9.213730      1.573157      2.111545
  N     -10.092844      0.631888      1.856906
  C      -9.960719     -0.528915      2.567121
  C     -10.860558     -1.590348      2.314032
  C     -10.749461     -2.772974      3.016304
  C      -9.742300     -2.937515      3.995413
  C      -8.849081     -1.920603      4.261427
  C      -8.932946     -0.693536      3.554790
  H      -3.324266      2.004313      2.106884
  H      -1.745531      1.272495      2.368384
  H      -3.608191     -0.434662      3.725486
  H      -2.648038     -0.820529      2.318094
  H      -6.560555      1.311386     -0.239241
  H      -8.039272     -2.985927      0.349474
  H      -7.298176     -4.921637      1.749399
  H      -5.285777     -4.714651      3.199854
  H      -4.008808     -2.607098      3.281573
  H      -5.301771      5.829083      4.847789
  H      -4.692275      6.589667      6.335234
  H      -3.947554      7.860151      4.430200
  H      -2.515513      7.090686      5.145252
  H      -4.801325      5.937804      0.434504
  H      -0.966333      3.415016      0.438003
  H       0.937032      3.122050      2.031473
  H       0.950131      4.347249      4.200552
  H      -0.917660      5.836434      4.805506
  H      -7.438841      1.483878      6.475854
  H      -7.182983      2.500616      5.053172
  H      -5.965300      0.417182      4.042964
  H      -6.821213     -0.533965      5.251441
  H      -9.297330      2.506428      1.545561
  H     -11.630998     -1.439451      1.557160
  H     -11.444649     -3.590329      2.818479
  H      -9.671838     -3.878711      4.542287
  H      -8.073967     -2.068026      5.012925
  N      -4.994011      3.459979      3.413273
  N      -5.919994      3.057262      2.407850
  H      -5.464567      2.286832      1.821994
  H      -6.838315      2.614655      2.772022
  H      -6.141554      3.855504      1.794371
91
Coordinates from ORCA-job orca E -6141.651187385468
  N      -2.733762      1.837636      4.132951
  Mo     -4.150197      2.976673      4.970327
  N      -5.433722      1.909521      6.011088
  C      -5.053642      1.288241      7.278969
  C      -3.540839      1.124154      7.336497
  N      -2.884165      2.332436      6.779048
  C      -1.534422      2.050703      6.242138
  C      -1.664712      1.271453      4.944210
  C      -2.890021      3.469084      7.733936
  C      -2.845282      4.777783      6.960601
  N      -3.801034      4.713599      5.857397
  H      -0.705227      1.322736      4.395897
  H      -1.839676      0.195374      5.151116
  H      -1.057360      3.018384      6.034933
  H      -0.915955      1.511390      6.981277
  H      -3.106173      5.603690      7.645680
  H      -1.818855      4.983662      6.602711
  H      -3.832245      3.419410      8.295851
  H      -2.054323      3.382435      8.450558
  H      -5.519197      0.292585      7.389247
  H      -5.418025      1.897203      8.129919
  H      -3.246167      0.273787      6.706625
  H      -3.190004      0.927221      8.364333
  C      -2.791462      1.251864      2.796216
  C      -3.407312     -0.168899      2.755095
  C      -4.663694     -0.375926      1.943637
  N      -5.168888      0.628903      1.233226
  C      -6.257529      0.380264      0.444253
  N      -6.907518     -0.750151      0.316705
  C      -6.452066     -1.794232      1.077599
  C      -7.147165     -3.024139      1.030416
  C      -6.717381     -4.088410      1.795675
  C      -5.578165     -3.964030      2.623296
  C      -4.879569     -2.773818      2.684738
  C      -5.302945     -1.658482      1.919898
  C      -4.370851      5.997632      5.466551
  C      -3.423469      6.903481      4.635701
  C      -3.186914      6.327164      3.270816
  N      -4.150766      6.536195      2.377441
  C      -4.028844      5.925351      1.173084
  N      -3.075070      5.103559      0.775620
  C      -2.050879      4.909457      1.658683
  C      -0.967704      4.077663      1.283964
  C       0.090918      3.887784      2.147212
  C       0.110906      4.521146      3.412062
  C      -0.935547      5.330157      3.804306
  C      -2.045117      5.534980      2.946654
  C      -6.808417      1.662141      5.593174
  C      -6.885387      0.437298      4.655734
  C      -8.053370      0.453327      3.714901
  N      -8.186390      1.559772      2.977509
  C      -9.194060      1.608716      2.065219
  N     -10.064541      0.662346      1.798095
  C      -9.944870     -0.493276      2.520526
  C     -10.829822     -1.563224      2.250055
  C     -10.726259     -2.741987      2.960655
  C      -9.744367     -2.892744      3.966892
  C      -8.865038     -1.868607      4.248296
  C      -8.938857     -0.646910      3.531756
  H      -3.345828      1.926178      2.135046
  H      -1.764610      1.200589      2.394917
  H      -3.609092     -0.501990      3.786581
  H      -2.668329     -0.890892      2.368057
  H      -6.617116      1.235503     -0.137194
  H      -8.027446     -3.092195      0.390429
  H      -7.261017     -5.033895      1.767240
  H      -5.249534     -4.817541      3.217941
  H      -4.002219     -2.693694      3.326358
  H      -5.279308      5.825647      4.875922
  H      -4.664782      6.555969      6.374176
  H      -3.926236      7.873307      4.513476
  H      -2.487874      7.074958      5.184296
  H      -4.832174      6.131954      0.456074
  H      -0.994688      3.615031      0.296480
  H       0.930032      3.256631      1.849190
  H       0.966504      4.376535      4.073719
  H      -0.901649      5.825892      4.774343
  H      -7.462071      1.507406      6.469428
  H      -7.192771      2.541090      5.059907
  H      -5.975911      0.468228      4.034388
  H      -6.834868     -0.495288      5.228766
  H      -9.269202      2.538223      1.491290
  H     -11.579734     -1.424175      1.470697
  H     -11.405715     -3.568217      2.746831
  H      -9.676909     -3.832865      4.515931
  H      -8.101860     -2.009016      5.013334
  N      -4.959866      3.451648      3.412131
  N      -5.879432      3.069740      2.394991
  H      -5.413036      2.321482      1.779368
  H      -6.792820      2.613066      2.745673
  H      -6.099279      3.882419      1.802213
91
Coordinates from ORCA-job orca E -6141.651645030374
  N      -2.728339      1.880612      4.099087
  Mo     -4.155279      2.994588      4.950773
  N      -5.418962      1.897771      5.987000
  C      -5.029847      1.278813      7.252545
  C      -3.515647      1.132634      7.305588
  N      -2.875569      2.351354      6.752636
  C      -1.525396      2.086379      6.207842
  C      -1.652914      1.316813      4.903715
  C      -2.890729      3.481687      7.714581
  C      -2.865276      4.796145      6.950283
  N      -3.823953      4.729193      5.849454
  H      -0.694863      1.383473      4.354544
  H      -1.816856      0.237371      5.101740
  H      -1.058168      3.059953      6.006491
  H      -0.899453      1.546284      6.940440
  H      -3.133642      5.615372      7.640432
  H      -1.842366      5.015324      6.590402
  H      -3.829905      3.416369      8.280246
  H      -2.051290      3.400535      8.427552
  H      -5.483475      0.277683      7.362892
  H      -5.400025      1.881895      8.105133
  H      -3.213582      0.289410      6.670230
  H      -3.159053      0.933926      8.331252
  C      -2.781343      1.309441      2.756607
  C      -3.396985     -0.109659      2.704951
  C      -4.656905     -0.312447      1.898868
  N      -5.161589      0.691068      1.186210
  C      -6.265631      0.446341      0.417491
  N      -6.931561     -0.677029      0.313652
  C      -6.474335     -1.718950      1.075984
  C      -7.180827     -2.943396      1.050609
  C      -6.744984     -4.006417      1.814697
  C      -5.591525     -3.885567      2.622840
  C      -4.882648     -2.700674      2.663663
  C      -5.308468     -1.588881      1.895277
  C      -4.389095      6.012636      5.450488
  C      -3.434072      6.905603      4.615852
  C      -3.179370      6.297063      3.268838
  N      -4.129360      6.481805      2.356208
  C      -3.993186      5.832867      1.173696
  N      -3.036758      4.997514      0.813343
  C      -2.027992      4.822994      1.717801
  C      -0.946914      3.969392      1.386753
  C       0.094106      3.793556      2.273694
  C       0.100075      4.465534      3.518933
  C      -0.943842      5.296461      3.868700
  C      -2.037476      5.487546      2.986359
  C      -6.792150      1.633139      5.571905
  C      -6.869235      0.394187      4.649106
  C      -8.038727      0.402353      3.708677
  N      -8.179760      1.508895      2.972295
  C      -9.196028      1.557480      2.069365
  N     -10.074810      0.615140      1.817337
  C      -9.949487     -0.539316      2.539340
  C     -10.849847     -1.601295      2.290334
  C     -10.745845     -2.777425      3.004574
  C      -9.745002     -2.934880      3.991307
  C      -8.851112     -1.917528      4.253137
  C      -8.928101     -0.696743      3.534831
  H      -3.334968      1.990045      2.101347
  H      -1.754004      1.260691      2.355699
  H      -3.597365     -0.444875      3.736433
  H      -2.659612     -0.831156      2.314298
  H      -6.626386      1.299716     -0.166269
  H      -8.070089     -3.009963      0.422971
  H      -7.293599     -4.949298      1.798757
  H      -5.258642     -4.738081      3.216569
  H      -3.992746     -2.623545      3.288444
  H      -5.293967      5.836175      4.855844
  H      -4.685497      6.579600      6.352128
  H      -3.935318      7.872587      4.466248
  H      -2.505698      7.089317      5.172031
  H      -4.783367      6.023083      0.438343
  H      -0.964885      3.475081      0.414517
  H       0.930407      3.143677      2.009891
  H       0.942978      4.332383      4.199138
  H      -0.918359      5.823008      4.822271
  H      -7.443556      1.487079      6.451524
  H      -7.182883      2.503265      5.029053
  H      -5.960360      0.417088      4.026467
  H      -6.820506     -0.530943      5.234029
  H      -9.274566      2.485610      1.494284
  H     -11.615016     -1.456151      1.526997
  H     -11.441728     -3.595120      2.810372
  H      -9.679565     -3.871385      4.546827
  H      -8.080193     -2.059971      5.009921
  N      -4.981221      3.470819      3.402045
  N      -5.903993      3.078563      2.389856
  H      -5.443864      2.321114      1.789156
  H      -6.820784      2.627125      2.746715
  H      -6.127530      3.885323      1.788479
91
Coordinates from ORCA-job orca E -6141.651506975853
  N      -2.718276      1.871479      4.115149
  Mo     -4.154338      2.977756      4.963052
  N      -5.416347      1.878384      5.997526
  C      -5.025843      1.255547      7.261030
  C      -3.511152      1.118976      7.317742
  N      -2.876980      2.342447      6.767730
  C      -1.523751      2.084905      6.228036
  C      -1.642129      1.314343      4.923417
  C      -2.902953      3.473933      7.728680
  C      -2.880116      4.788729      6.963479
  N      -3.830809      4.715783      5.855549
  H      -0.682668      1.387118      4.377402
  H      -1.799797      0.233788      5.120384
  H      -1.061396      3.060906      6.027845
  H      -0.897186      1.548884      6.963079
  H      -3.157829      5.606490      7.651742
  H      -1.856129      5.013972      6.611412
  H      -3.844785      3.404297      8.289309
  H      -2.066991      3.397777      8.446297
  H      -5.473974      0.251387      7.366132
  H      -5.401360      1.852866      8.115261
  H      -3.201703      0.278408      6.682403
  H      -3.156242      0.921191      8.344174
  C      -2.759312      1.302526      2.771074
  C      -3.369159     -0.117890      2.714538
  C      -4.619852     -0.325310      1.895575
  N      -5.110052      0.668577      1.159804
  C      -6.211313      0.419135      0.388983
  N      -6.884849     -0.700857      0.299336
  C      -6.440068     -1.733244      1.081621
  C      -7.154608     -2.953286      1.071395
  C      -6.730063     -4.006973      1.854675
  C      -5.582165     -3.879827      2.669742
  C      -4.866666     -2.698629      2.697096
  C      -5.279120     -1.597385      1.906706
  C      -4.398351      5.994124      5.444931
  C      -3.450291      6.887358      4.601337
  C      -3.199902      6.275924      3.253977
  N      -4.161536      6.444529      2.350155
  C      -4.028335      5.793804      1.167967
  N      -3.064234      4.970228      0.800541
  C      -2.043914      4.812598      1.695206
  C      -0.951856      3.976901      1.353724
  C       0.104253      3.825004      2.227091
  C       0.115779      4.505157      3.467642
  C      -0.938225      5.318889      3.827422
  C      -2.048741      5.482780      2.961051
  C      -6.791090      1.620307      5.584448
  C      -6.871855      0.401462      4.635680
  C      -8.051568      0.428342      3.708692
  N      -8.214242      1.560231      3.016820
  C      -9.252006      1.637197      2.141040
  N     -10.132137      0.700297      1.874477
  C      -9.984310     -0.479760      2.549353
  C     -10.889685     -1.534015      2.286252
  C     -10.767281     -2.733633      2.957049
  C      -9.740684     -2.923969      3.911105
  C      -8.841961     -1.914392      4.186344
  C      -8.939111     -0.668956      3.514206
  H      -3.310856      1.981486      2.112492
  H      -1.728479      1.258531      2.378623
  H      -3.580243     -0.450704      3.744702
  H      -2.626146     -0.839334      2.334748
  H      -6.560406      1.264410     -0.213304
  H      -8.039459     -3.024562      0.438122
  H      -7.281967     -4.947953      1.847035
  H      -5.258902     -4.724653      3.279462
  H      -3.981789     -2.616169      3.328191
  H      -5.302174      5.808617      4.851562
  H      -4.698571      6.566582      6.341920
  H      -3.958588      7.850341      4.451050
  H      -2.520097      7.079333      5.151640
  H      -4.825580      5.974931      0.438154
  H      -0.972626      3.478127      0.383725
  H       0.949101      3.189926      1.954734
  H       0.971530      4.393440      4.135543
  H      -0.907067      5.853987      4.775788
  H      -7.438448      1.457199      6.464073
  H      -7.184881      2.500550      5.060345
  H      -5.969999      0.442641      4.004069
  H      -6.813347     -0.536813      5.198370
  H      -9.351564      2.587493      1.606882
  H     -11.674997     -1.363339      1.549165
  H     -11.469461     -3.544013      2.754915
  H      -9.661329     -3.878672      4.432726
  H      -8.053956     -2.080548      4.920283
  N      -4.983238      3.443543      3.413156
  N      -5.904645      3.040580      2.404640
  H      -5.446103      2.268591      1.821680
  H      -6.822784      2.596846      2.764781
  H      -6.123918      3.838248      1.789810
91
Coordinates from ORCA-job orca E -6141.651691401857
  N      -2.725853      1.877080      4.102554
  Mo     -4.155484      2.987728      4.954979
  N      -5.418064      1.890568      5.991710
  C      -5.026189      1.268477      7.255141
  C      -3.511630      1.125939      7.307319
  N      -2.874447      2.346987      6.755795
  C      -1.523535      2.085854      6.211440
  C      -1.648638      1.316329      4.907001
  C      -2.893015      3.477303      7.717861
  C      -2.868753      4.792115      6.953630
  N      -3.825441      4.723306      5.850980
  H      -0.690802      1.386011      4.357782
  H      -1.809272      0.236276      5.104430
  H      -1.058935      3.060706      6.010264
  H      -0.896166      1.547446      6.944027
  H      -3.139944      5.610508      7.643701
  H      -1.845714      5.013690      6.595753
  H      -3.832855      3.410203      8.282175
  H      -2.054396      3.397705      8.431967
  H      -5.477625      0.266085      7.362934
  H      -5.397049      1.868410      8.109629
  H      -3.207436      0.284274      6.670851
  H      -3.154360      0.926663      8.332632
  C      -2.777108      1.304979      2.760191
  C      -3.387603     -0.116208      2.709433
  C      -4.646177     -0.323968      1.902620
  N      -5.149161      0.674702      1.181998
  C      -6.251572      0.424870      0.412720
  N      -6.917234     -0.699192      0.314694
  C      -6.461028     -1.736414      1.084031
  C      -7.167815     -2.960797      1.065493
  C      -6.733143     -4.019054      1.836804
  C      -5.580833     -3.893179      2.645806
  C      -4.872037     -2.708026      2.680440
  C      -5.296792     -1.600885      1.904792
  C      -4.392303      6.005017      5.449339
  C      -3.441096      6.899605      4.611587
  C      -3.187573      6.290244      3.264465
  N      -4.143104      6.466593      2.355784
  C      -4.008163      5.816066      1.173890
  N      -3.048534      4.985032      0.811636
  C      -2.034043      4.819776      1.711541
  C      -0.948044      3.973814      1.376872
  C       0.100082      3.810153      2.257769
  C       0.108651      4.487392      3.500059
  C      -0.939944      5.310933      3.853366
  C      -2.041179      5.488566      2.977909
  C      -6.793408      1.631465      5.581296
  C      -6.875175      0.402778      4.645936
  C      -8.050069      0.421859      3.712683
  N      -8.199083      1.539963      2.995688
  C      -9.222371      1.601058      2.101607
  N     -10.099700      0.660121      1.839397
  C      -9.965391     -0.506269      2.540481
  C     -10.863451     -1.567187      2.278919
  C     -10.750010     -2.755325      2.971575
  C      -9.741466     -2.926394      3.948153
  C      -8.849816     -1.910284      4.221932
  C      -8.936786     -0.677202      3.526223
  H      -3.332971      1.983240      2.104282
  H      -1.749398      1.259775      2.359852
  H      -3.587465     -0.451172      3.741043
  H      -2.647620     -0.835812      2.320138
  H      -6.610928      1.274384     -0.177454
  H      -8.056459     -3.030980      0.437389
  H      -7.281469     -4.962157      1.825562
  H      -5.249081     -4.741914      3.245528
  H      -3.983594     -2.626732      3.306655
  H      -5.297206      5.825498      4.855668
  H      -4.689762      6.572936      6.350041
  H      -3.946364      7.864394      4.462067
  H      -2.512206      7.087292      5.165628
  H      -4.802809      5.999628      0.441663
  H      -0.967106      3.476420      0.406199
  H       0.940313      3.166659      1.990863
  H       0.957496      4.364796      4.174824
  H      -0.911930      5.842365      4.804186
  H      -7.440836      1.477317      6.462455
  H      -7.185834      2.507161      5.048741
  H      -5.969958      0.433088      4.018427
  H      -6.822695     -0.529076      5.219829
  H      -9.308499      2.539018      1.543707
  H     -11.634325     -1.411723      1.523422
  H     -11.444265     -3.572085      2.768024
  H      -9.668228     -3.872594      4.485957
  H      -8.072629     -2.063148      4.970248
  N      -4.983747      3.461054      3.406554
  N      -5.906145      3.065151      2.395793
  H      -5.448982      2.298592      1.803684
  H      -6.826082      2.622122      2.753836
  H      -6.123389      3.867488      1.786473
91
Coordinates from ORCA-job orca E -6141.651691653190
  N      -2.733970      1.887671      4.092174
  Mo     -4.162953      2.993889      4.950825
  N      -5.420743      1.892544      5.989064
  C      -5.023758      1.267178      7.249294
  C      -3.508645      1.128385      7.296855
  N      -2.876316      2.352500      6.746700
  C      -1.526000      2.096784      6.198025
  C      -1.652014      1.329524      4.892118
  C      -2.896721      3.480461      7.711455
  C      -2.875561      4.797264      6.950595
  N      -3.831000      4.729069      5.846835
  H      -0.696211      1.404381      4.340070
  H      -1.807774      0.248402      5.087593
  H      -1.065146      3.073520      5.997573
  H      -0.894810      1.558939      6.927711
  H      -3.149299      5.613269      7.642538
  H      -1.852816      5.022111      6.594127
  H      -3.836130      3.409840      8.276020
  H      -2.057608      3.401014      8.425000
  H      -5.472099      0.263148      7.354941
  H      -5.394000      1.863160      8.106829
  H      -3.203957      0.289228      6.657298
  H      -3.148032      0.927439      8.320658
  C      -2.790521      1.315929      2.749852
  C      -3.401301     -0.105232      2.700387
  C      -4.663110     -0.312431      1.898216
  N      -5.171009      0.687305      1.182511
  C      -6.276267      0.437752      0.417251
  N      -6.939816     -0.687448      0.318085
  C      -6.478455     -1.726053      1.082477
  C      -7.182349     -2.952028      1.062320
  C      -6.742805     -4.011588      1.829028
  C      -5.588361     -3.885349      2.634922
  C      -4.882091     -2.698731      2.670756
  C      -5.311571     -1.590428      1.899436
  C      -4.391085      6.012404      5.440221
  C      -3.432337      6.901586      4.605380
  C      -3.168682      6.285925      3.262896
  N      -4.116075      6.459979      2.345334
  C      -3.971189      5.805652      1.166667
  N      -3.008750      4.973472      0.815171
  C      -2.002524      4.810188      1.724448
  C      -0.913646      3.963429      1.401248
  C       0.127213      3.802562      2.291115
  C       0.125850      4.484182      3.531069
  C      -0.925554      5.308819      3.873122
  C      -2.020328      5.482656      2.988755
  C      -6.796698      1.630952      5.582169
  C      -6.879531      0.397649      4.653106
  C      -8.054241      0.411338      3.719239
  N      -8.208276      1.527980      3.001007
  C      -9.231507      1.583420      2.106501
  N     -10.104447      0.638254      1.844956
  C      -9.964679     -0.526961      2.546992
  C     -10.857891     -1.592162      2.286314
  C     -10.738962     -2.779278      2.979854
  C      -9.729752     -2.944836      3.956632
  C      -8.843110     -1.924248      4.229944
  C      -8.935633     -0.692135      3.533252
  H      -3.349286      1.994313      2.096476
  H      -1.764432      1.271055      2.345471
  H      -3.597026     -0.441345      3.732454
  H      -2.662825     -0.824403      2.307507
  H      -6.639375      1.288130     -0.169375
  H      -8.073031     -3.022242      0.437125
  H      -7.288978     -4.955915      1.816819
  H      -5.252873     -4.735000      3.231249
  H      -3.991905     -2.617202      3.294445
  H      -5.293693      5.835190      4.842496
  H      -4.690462      6.583067      6.338568
  H      -3.935256      7.866290      4.447539
  H      -2.507445      7.091241      5.165457
  H      -4.758665      5.988426      0.426492
  H      -0.924626      3.463530      0.431755
  H       0.969825      3.158606      2.032959
  H       0.969607      4.364529      4.212719
  H      -0.904605      5.844430      4.821730
  H      -7.442641      1.480619      6.465129
  H      -7.190231      2.504023      5.046253
  H      -5.974387      0.423589      4.025330
  H      -6.827752     -0.531285      5.231731
  H      -9.322262      2.520714      1.548163
  H     -11.629358     -1.440904      1.530575
  H     -11.429344     -3.599443      2.776840
  H      -9.651828     -3.890400      4.494881
  H      -8.065183     -2.073027      4.978302
  N      -4.997021      3.467256      3.405673
  N      -5.924694      3.069501      2.400453
  H      -5.466676      2.307111      1.802845
  H      -6.839334      2.620155      2.764371
  H      -6.151446      3.872394      1.795602
91
Coordinates from ORCA-job orca E -6141.651687555865
  N      -2.727117      1.880816      4.102561
  Mo     -4.155418      2.992456      4.956019
  N      -5.420463      1.896438      5.991041
  C      -5.029908      1.273211      7.254353
  C      -3.515616      1.127742      7.306731
  N      -2.875993      2.347968      6.756598
  C      -1.525287      2.085503      6.212219
  C      -1.650800      1.317874      4.906697
  C      -2.893365      3.477385      7.719683
  C      -2.866045      4.792686      6.956630
  N      -3.821969      4.726971      5.853094
  H      -0.692711      1.387589      4.357930
  H      -1.812532      0.237707      5.102629
  H      -1.059470      3.059996      6.012317
  H      -0.898801      1.545379      6.944310
  H      -3.136057      5.611177      7.647019
  H      -1.842428      5.012310      6.599415
  H      -3.833847      3.411380      8.283062
  H      -2.055560      3.395645      8.434526
  H      -5.482984      0.271474      7.361418
  H      -5.400111      1.873315      8.108990
  H      -3.212773      0.286127      6.669584
  H      -3.159124      0.926820      8.332015
  C      -2.779430      1.309670      2.759749
  C      -3.391342     -0.111042      2.706965
  C      -4.652869     -0.317076      1.904138
  N      -5.159610      0.683333      1.188508
  C      -6.265094      0.435365      0.422896
  N      -6.929663     -0.689035      0.323153
  C      -6.469486     -1.728439      1.087155
  C      -7.174717     -2.953591      1.066308
  C      -6.736954     -4.013724      1.833254
  C      -5.582635     -3.889160      2.639561
  C      -4.874836     -2.703436      2.675834
  C      -5.302766     -1.594415      1.904656
  C      -4.385422      6.010952      5.453344
  C      -3.431980      6.902692      4.614628
  C      -3.182947      6.292729      3.266991
  N      -4.140377      6.470788      2.360771
  C      -4.012261      5.815956      1.180579
  N      -3.057509      4.979592      0.817805
  C      -2.040540      4.813170      1.714564
  C      -0.959844      3.960805      1.379143
  C       0.091007      3.795883      2.256521
  C       0.107906      4.478694      3.495685
  C      -0.935591      5.308377      3.849809
  C      -2.039994      5.486708      2.978403
  C      -6.795416      1.636358      5.578961
  C      -6.875869      0.402872      4.649640
  C      -8.045308      0.417480      3.709032
  N      -8.190095      1.530459      2.983011
  C      -9.207608      1.584279      2.081716
  N     -10.082950      0.641168      1.820722
  C      -9.952630     -0.520040      2.530856
  C     -10.848230     -1.583387      2.270878
  C     -10.738431     -2.766619      2.972460
  C      -9.736697     -2.929800      3.957330
  C      -8.847988     -1.910898      4.230235
  C      -8.930755     -0.683043      3.524796
  H      -3.334139      1.989328      2.104409
  H      -1.751857      1.263356      2.359206
  H      -3.587220     -0.449327      3.738288
  H      -2.652919     -0.829429      2.312499
  H      -6.627197      1.286417     -0.163404
  H      -8.065209     -3.022493      0.440718
  H      -7.284803     -4.957102      1.821217
  H      -5.248385     -4.739420      3.235717
  H      -3.984505     -2.623315      3.299543
  H      -5.291805      5.834830      4.860960
  H      -4.679413      6.579364      6.354860
  H      -3.934004      7.869331      4.465938
  H      -2.501607      7.086636      5.167280
  H      -4.807603      6.001865      0.449836
  H      -0.985366      3.459158      0.410821
  H       0.927123      3.147289      1.989020
  H       0.959189      4.355465      4.167265
  H      -0.900762      5.844202      4.797886
  H      -7.444607      1.486792      6.459618
  H      -7.186076      2.509784      5.041436
  H      -5.967196      0.427439      4.027137
  H      -6.828545     -0.525708      5.229232
  H      -9.290860      2.518087      1.516600
  H     -11.613939     -1.433923      1.508942
  H     -11.430276     -3.585567      2.769456
  H      -9.666255     -3.872176      4.502176
  H      -8.075760     -2.057855      4.984814
  N      -4.983239      3.467420      3.407882
  N      -5.904791      3.070571      2.397042
  H      -5.445207      2.306477      1.802223
  H      -6.821980      2.622783      2.756057
  H      -6.125735      3.873372      1.789392
91
Coordinates from ORCA-job orca E -6141.651696986963
  N      -2.727387      1.879447      4.099486
  Mo     -4.156740      2.989534      4.953461
  N      -5.419652      1.892598      5.990025
  C      -5.026963      1.269320      7.252705
  C      -3.512418      1.126193      7.303848
  N      -2.875065      2.347420      6.753139
  C      -1.524379      2.086728      6.208118
  C      -1.649756      1.318309      4.903117
  C      -2.893191      3.477161      7.715861
  C      -2.868068      4.792301      6.952340
  N      -3.824673      4.724714      5.849497
  H      -0.692152      1.388921      4.353626
  H      -1.809957      0.238025      5.099660
  H      -1.060020      3.061801      6.007514
  H      -0.896683      1.547816      6.940042
  H      -3.138834      5.610524      7.642755
  H      -1.844957      5.013451      6.594365
  H      -3.833209      3.410218      8.279881
  H      -2.054784      3.396731      8.430136
  H      -5.478507      0.266903      7.359841
  H      -5.397216      1.868569      8.107913
  H      -3.208807      0.285041      6.666418
  H      -3.154780      0.925798      8.328827
  C      -2.779596      1.307019      2.757308
  C      -3.389279     -0.114596      2.706679
  C      -4.650144     -0.322723      1.903589
  N      -5.156085      0.676110      1.185261
  C      -6.260423      0.426297      0.418726
  N      -6.924894     -0.698379      0.320822
  C      -6.465667     -1.736033      1.087830
  C      -7.171077     -2.961135      1.069249
  C      -6.733963     -4.019650      1.838813
  C      -5.580235     -3.893384      2.645706
  C      -4.872463     -2.707590      2.680031
  C      -5.299808     -1.600147      1.906242
  C      -4.389980      6.007555      5.449032
  C      -3.436784      6.902049      4.613305
  C      -3.182402      6.293615      3.265979
  N      -4.136436      6.472072      2.356197
  C      -4.001716      5.821017      1.174598
  N      -3.043720      4.987437      0.813780
  C      -2.030286      4.820615      1.714551
  C      -0.945971      3.971926      1.381382
  C       0.101242      3.806764      2.263089
  C       0.110509      4.485147      3.504754
  C      -0.936603      5.311190      3.856725
  C      -2.036945      5.490257      2.980437
  C      -6.795428      1.633417      5.580816
  C      -6.878110      0.402301      4.648797
  C      -8.051096      0.419864      3.713046
  N      -8.199939      1.537056      2.994651
  C      -9.221703      1.596021      2.098654
  N     -10.097515      0.653862      1.835774
  C      -9.963215     -0.511680      2.538220
  C     -10.859513     -1.573896      2.275938
  C     -10.746000     -2.761247      2.969936
  C      -9.739422     -2.930013      3.948907
  C      -8.849732     -1.912470      4.223663
  C      -8.936503     -0.680292      3.526280
  H      -3.335851      1.985019      2.101525
  H      -1.752128      1.262027      2.356343
  H      -3.585113     -0.451567      3.738410
  H      -2.649896     -0.832738      2.313543
  H      -6.622240      1.276218     -0.169354
  H      -8.060983     -3.031423      0.442973
  H      -7.281583     -4.963167      1.828047
  H      -5.246515     -4.742344      3.244008
  H      -3.982785     -2.626074      3.304466
  H      -5.294699      5.829854      4.854544
  H      -4.687159      6.574770      6.350245
  H      -3.940869      7.867523      4.464099
  H      -2.508332      7.087948      5.168595
  H      -4.794775      6.006632      0.441234
  H      -0.965456      3.473717      0.411130
  H       0.940208      3.161149      1.997328
  H       0.958744      4.361416      4.180073
  H      -0.907962      5.843372      4.807141
  H      -7.442500      1.481882      6.462683
  H      -7.187452      2.508095      5.046284
  H      -5.971713      0.429215      4.022871
  H      -6.828221     -0.527979      5.225408
  H      -9.308044      2.533335      1.539743
  H     -11.628959     -1.420144      1.518638
  H     -11.438676     -3.579139      2.765555
  H      -9.666088     -3.875617      4.487740
  H      -8.073974     -2.063667      4.973758
  N      -4.986217      3.463594      3.405821
  N      -5.908525      3.066601      2.395519
  H      -5.451846      2.298377      1.803940
  H      -6.828222      2.624407      2.754435
  H      -6.125323      3.868078      1.784885
91
Coordinates from ORCA-job orca E -6141.651699020802
  N      -2.729946      1.884766      4.094676
  Mo     -4.159605      2.991760      4.951846
  N      -5.419819      1.891911      5.988634
  C      -5.024459      1.266669      7.249527
  C      -3.509573      1.126171      7.298599
  N      -2.875111      2.349439      6.749099
  C      -1.524521      2.092162      6.202077
  C      -1.649860      1.325162      4.896128
  C      -2.894884      3.477782      7.713424
  C      -2.871889      4.794180      6.951951
  N      -3.827577      4.726658      5.848287
  H      -0.693191      1.398918      4.345422
  H      -1.807207      0.244233      5.091394
  H      -1.062355      3.068391      6.002147
  H      -0.894838      1.553562      6.932527
  H      -3.144634      5.610852      7.643458
  H      -1.848974      5.017704      6.595055
  H      -3.834757      3.408447      8.277395
  H      -2.056331      3.397681      8.427565
  H      -5.474054      0.263216      7.355224
  H      -5.394803      1.863501      8.106396
  H      -3.205196      0.286649      6.659398
  H      -3.150351      0.924736      8.322819
  C      -2.784297      1.312690      2.752449
  C      -3.393302     -0.109215      2.702485
  C      -4.655929     -0.317955      1.902220
  N      -5.165239      0.680890      1.186263
  C      -6.270696      0.430031      0.421668
  N      -6.933162     -0.695807      0.323427
  C      -6.470437     -1.733609      1.088124
  C      -7.173153     -2.960246      1.068791
  C      -6.732310     -4.019041      1.835844
  C      -5.577582     -3.891417      2.641088
  C      -4.872362     -2.704126      2.676039
  C      -5.303339     -1.596514      1.904536
  C      -4.390646      6.009816      5.445459
  C      -3.435478      6.901591      4.609214
  C      -3.176989      6.288202      3.264825
  N      -4.129240      6.461122      2.352143
  C      -3.990240      5.806053      1.173229
  N      -3.029354      4.973752      0.817492
  C      -2.017850      4.812318      1.721289
  C      -0.930363      3.965665      1.393219
  C       0.115410      3.806364      2.277637
  C       0.120297      4.489197      3.516906
  C      -0.929802      5.313520      3.863841
  C      -2.029168      5.486121      2.984950
  C      -6.796243      1.632533      5.581689
  C      -6.881351      0.399661      4.652168
  C      -8.054506      0.417224      3.716447
  N      -8.204127      1.534643      2.998550
  C      -9.225963      1.593429      2.102620
  N     -10.101316      0.650957      1.839416
  C      -9.966023     -0.514980      2.541040
  C     -10.861886     -1.577473      2.278425
  C     -10.747497     -2.765234      2.971582
  C      -9.740338     -2.934161      3.949916
  C      -8.851125     -1.916297      4.225069
  C      -8.938931     -0.683601      3.528732
  H      -3.342307      1.990515      2.097893
  H      -1.757568      1.268385      2.349583
  H      -3.586436     -0.446913      3.734506
  H      -2.654357     -0.826662      2.307267
  H      -6.635345      1.280051     -0.164526
  H      -8.063928     -3.031530      0.443858
  H      -7.277688     -4.963844      1.824367
  H      -5.240973     -4.740547      3.237529
  H      -3.981785     -2.621611      3.299058
  H      -5.294708      5.832202      4.850017
  H      -4.688237      6.578766      6.345471
  H      -3.939639      7.866259      4.455099
  H      -2.508607      7.090245      5.166234
  H      -4.781870      5.987424      0.437238
  H      -0.946421      3.464326      0.424531
  H       0.956829      3.162354      2.015747
  H       0.967701      4.370545      4.194191
  H      -0.904131      5.849758      4.812007
  H      -7.442284      1.483176      6.464718
  H      -7.188329      2.506481      5.046114
  H      -5.975066      0.423316      4.025871
  H      -6.833221     -0.529570      5.230610
  H      -9.313131      2.531137      1.544457
  H     -11.631773     -1.423572      1.521604
  H     -11.439958     -3.583279      2.767059
  H      -9.666226     -3.880095      4.488063
  H      -8.075046     -2.067614      4.974819
  N      -4.991975      3.465875      3.405875
  N      -5.916496      3.067307      2.398171
  H      -5.458931      2.301244      1.804400
  H      -6.833514      2.621641      2.759791
  H      -6.138366      3.868822      1.789502
91
Coordinates from ORCA-job orca E -6141.651700020936
  N      -2.730339      1.884873      4.094688
  Mo     -4.159771      2.992306      4.951904
  N      -5.420887      1.893190      5.988346
  C      -5.025889      1.267584      7.249206
  C      -3.511102      1.126201      7.298394
  N      -2.875845      2.349160      6.749226
  C      -1.525269      2.091332      6.202448
  C      -1.650635      1.324683      4.896297
  C      -2.895204      3.477418      7.713634
  C      -2.871094      4.793773      6.952176
  N      -3.826654      4.727005      5.848302
  H      -0.693815      1.398234      4.345822
  H      -1.808394      0.243763      5.091276
  H      -1.062633      3.067404      6.002836
  H      -0.895989      1.552303      6.932924
  H      -3.143326      5.610651      7.643624
  H      -1.847988      5.016532      6.595354
  H      -3.835319      3.408689      8.277276
  H      -2.056933      3.396727      8.428042
  H      -5.475998      0.264338      7.354696
  H      -5.396022      1.864494      8.106110
  H      -3.207129      0.286636      6.659050
  H      -3.152161      0.924323      8.322627
  C      -2.784362      1.313051      2.752317
  C      -3.392952     -0.109046      2.701725
  C      -4.656156     -0.317784      1.902410
  N      -5.165832      0.681027      1.186665
  C      -6.271882      0.430342      0.422865
  N      -6.934358     -0.695484      0.324895
  C      -6.471231     -1.733325      1.089316
  C      -7.174146     -2.959834      1.070472
  C      -6.733144     -4.018585      1.837496
  C      -5.577988     -3.891048      2.642129
  C      -4.872526     -2.703874      2.676558
  C      -5.303726     -1.596274      1.905166
  C      -4.388894      6.010745      5.446079
  C      -3.432661      6.902597      4.610977
  C      -3.174990      6.290906      3.265653
  N      -4.126776      6.466993      2.353107
  C      -3.989033      5.813179      1.173369
  N      -3.029883      4.979240      0.816716
  C      -2.018698      4.814716      1.720325
  C      -0.933070      3.966029      1.391389
  C       0.112425      3.803660      2.275586
  C       0.118859      4.485334      3.515480
  C      -0.929487      5.311534      3.863298
  C      -2.028561      5.487224      2.984678
  C      -6.797390      1.634046      5.581385
  C      -6.882601      0.400377      4.652942
  C      -8.055086      0.417048      3.716282
  N      -8.204619      1.533604      2.997010
  C      -9.225575      1.590735      2.099932
  N     -10.099937      0.647367      1.836668
  C      -9.964575     -0.517761      2.539596
  C     -10.859095     -1.581329      2.276769
  C     -10.744376     -2.768423      2.971022
  C      -9.738305     -2.935528      3.950781
  C      -8.850450     -1.916561      4.226198
  C      -8.938556     -0.684560      3.528682
  H      -3.342139      1.990960      2.097655
  H      -1.757483      1.268938      2.349767
  H      -3.584829     -0.447834      3.733612
  H      -2.654072     -0.825773      2.305051
  H      -6.636663      1.280337     -0.163279
  H      -8.065312     -3.030966      0.446079
  H      -7.278792     -4.963241      1.826549
  H      -5.241261     -4.740136      3.238559
  H      -3.981647     -2.621428      3.299148
  H      -5.292887      5.834176      4.850212
  H      -4.686376      6.579235      6.346404
  H      -3.935651      7.868095      4.458261
  H      -2.505550      7.089209      5.168264
  H      -4.780137      5.997218      0.437485
  H      -0.950190      3.465713      0.422188
  H       0.952472      3.158143      2.013010
  H       0.966061      4.364236      4.192580
  H      -0.902652      5.846677      4.812063
  H      -7.443528      1.485554      6.464490
  H      -7.189131      2.507695      5.045087
  H      -5.975846      0.422958      4.027322
  H      -6.835294     -0.528284      5.232369
  H      -9.312763      2.527753      1.540629
  H     -11.628105     -1.428847      1.518773
  H     -11.435648     -3.587385      2.766170
  H      -9.663855     -3.880986      4.489713
  H      -8.075064     -2.066556      4.976941
  N      -4.992135      3.466823      3.406015
  N      -5.916177      3.067959      2.398122
  H      -5.458890      2.300998      1.804907
  H      -6.833365      2.622970      2.759951
  H      -6.137311      3.869083      1.788672
91
Coordinates from ORCA-job orca E -6141.651701001457
  N      -2.729873      1.885241      4.093437
  Mo     -4.159687      2.992019      4.951173
  N      -5.421107      1.892822      5.987083
  C      -5.025859      1.266406      7.247521
  C      -3.511076      1.125012      7.296584
  N      -2.875740      2.348250      6.748197
  C      -1.525088      2.090827      6.201505
  C      -1.650164      1.324875      4.894960
  C      -2.895255      3.476157      7.712991
  C      -2.870774      4.792720      6.951927
  N      -3.826171      4.726437      5.847833
  H      -0.693283      1.398971      4.344661
  H      -1.807673      0.243815      5.089350
  H      -1.062525      3.067050      6.002470
  H      -0.895866      1.551475      6.931794
  H      -3.143029      5.609430      7.643551
  H      -1.847624      5.015491      6.595214
  H      -3.835576      3.407370      8.276287
  H      -2.057226      3.395133      8.427650
  H      -5.475919      0.263078      7.352417
  H      -5.395980      1.862790      8.104789
  H      -3.207090      0.285865      6.656703
  H      -3.152209      0.922431      8.320712
  C      -2.783439      1.313481      2.751037
  C      -3.390100     -0.109446      2.700367
  C      -4.654871     -0.319513      1.903989
  N      -5.167133      0.678755      1.189323
  C      -6.274309      0.426902      0.427528
  N      -6.935512     -0.699728      0.330534
  C      -6.469752     -1.737113      1.093999
  C      -7.171124     -2.964503      1.076077
  C      -6.727455     -4.022872      1.842108
  C      -5.571090     -3.894030      2.644783
  C      -4.867066     -2.705965      2.678251
  C      -5.301012     -1.598738      1.907856
  C      -4.388728      6.010394      5.446707
  C      -3.432596      6.902975      4.612241
  C      -3.175217      6.292077      3.266527
  N      -4.127456      6.468158      2.354482
  C      -3.990377      5.814294      1.174708
  N      -3.031379      4.980346      0.817590
  C      -2.019596      4.816052      1.720585
  C      -0.934124      3.967377      1.391119
  C       0.111894      3.805146      2.274735
  C       0.118934      4.486834      3.514619
  C      -0.929294      5.312968      3.862998
  C      -2.028784      5.488634      2.984897
  C      -6.798131      1.634769      5.581166
  C      -6.885354      0.400566      4.653651
  C      -8.057277      0.418845      3.716289
  N      -8.205812      1.536084      2.997936
  C      -9.226322      1.594543      2.100418
  N     -10.101126      0.651921      1.835959
  C      -9.966781     -0.513885      2.537957
  C     -10.861845     -1.576670      2.273830
  C     -10.748176     -2.764420      2.967129
  C      -9.742646     -2.932962      3.947198
  C      -8.854318     -1.914756      4.223911
  C      -8.941332     -0.682108      3.527387
  H      -3.341891      1.990784      2.096326
  H      -1.756516      1.270504      2.348450
  H      -3.578558     -0.449904      3.732319
  H      -2.651095     -0.824441      2.300756
  H      -6.641297      1.276624     -0.157632
  H      -8.063256     -3.036577      0.453175
  H      -7.271901     -4.968232      1.831876
  H      -5.232247     -4.742824      3.240432
  H      -3.975181     -2.622564      3.299269
  H      -5.292731      5.834133      4.850757
  H      -4.686182      6.578166      6.347486
  H      -3.935613      7.868582      4.460291
  H      -2.505403      7.089015      5.169544
  H      -4.781856      5.998274      0.439238
  H      -0.951738      3.466969      0.421970
  H       0.951820      3.159638      2.011748
  H       0.966488      4.365757      4.191281
  H      -0.902019      5.847982      4.811840
  H      -7.443799      1.487603      6.464840
  H      -7.189269      2.508528      5.044615
  H      -5.978177      0.420735      4.028524
  H      -6.840378     -0.527757      5.233790
  H      -9.312703      2.532064      1.541840
  H     -11.630409     -1.423061      1.515610
  H     -11.439877     -3.582769      2.761272
  H      -9.669024     -3.878916      4.485372
  H      -8.079423     -2.065896      4.974928
  N      -4.992494      3.467099      3.405620
  N      -5.915813      3.067356      2.397442
  H      -5.459093      2.298507      1.805819
  H      -6.833739      2.624184      2.759225
  H      -6.135388      3.867604      1.786241
91
Coordinates from ORCA-job orca E -6141.651702478216
  N      -2.730218      1.887998      4.089113
  Mo     -4.160942      2.992210      4.949188
  N      -5.421988      1.891763      5.984035
  C      -5.025183      1.262622      7.242756
  C      -3.510277      1.122311      7.290791
  N      -2.875956      2.347021      6.744662
  C      -1.525137      2.091846      6.197450
  C      -1.649486      1.327973      4.889640
  C      -2.896614      3.473588      7.710942
  C      -2.872030      4.791132      6.951582
  N      -3.826408      4.725926      5.846416
  H      -0.692839      1.404556      4.339268
  H      -1.805211      0.246344      5.082230
  H      -1.063560      3.068848      6.000030
  H      -0.895318      1.551895      6.926782
  H      -3.145319      5.606826      7.643986
  H      -1.848754      5.014904      6.595876
  H      -3.837421      3.403729      8.273294
  H      -2.059176      3.391957      8.426229
  H      -5.474325      0.258671      7.345624
  H      -5.395394      1.856763      8.101533
  H      -3.205912      0.284769      6.648995
  H      -3.150966      0.917748      8.314378
  C      -2.783198      1.316968      2.746410
  C      -3.385254     -0.107884      2.695197
  C      -4.653960     -0.320854      1.906084
  N      -5.172181      0.675997      1.193711
  C      -6.281847      0.421193      0.436501
  N      -6.939938     -0.707396      0.341744
  C      -6.467991     -1.743602      1.103063
  C      -7.165556     -2.973159      1.087231
  C      -6.715496     -4.030582      1.850874
  C      -5.556419     -3.898467      2.649069
  C      -4.856015     -2.708185      2.680417
  C      -5.296530     -1.601896      1.912412
  C      -4.388374      6.010513      5.446277
  C      -3.431220      6.903278      4.613210
  C      -3.172793      6.292279      3.267732
  N      -4.124931      6.466980      2.355377
  C      -3.987129      5.812428      1.176081
  N      -3.027326      4.979092      0.819703
  C      -2.015459      4.816486      1.722891
  C      -0.928917      3.968972      1.393939
  C       0.117292      3.808543      2.277648
  C       0.123404      4.490883      3.517184
  C      -0.925853      5.315917      3.865090
  C      -2.025505      5.489782      2.986813
  C      -6.800480      1.636295      5.581437
  C      -6.893514      0.399922      4.657428
  C      -8.064544      0.421535      3.718836
  N      -8.211434      1.540072      3.002289
  C      -9.230963      1.600844      2.103765
  N     -10.106197      0.659389      1.836683
  C      -9.973277     -0.507888      2.536530
  C     -10.868688     -1.569587      2.269282
  C     -10.756304     -2.758914      2.960085
  C      -9.751656     -2.930144      3.940589
  C      -8.863076     -1.912989      4.220373
  C      -8.948897     -0.678689      3.526621
  H      -3.343693      1.993012      2.092098
  H      -1.756335      1.276954      2.343322
  H      -3.565246     -0.452642      3.727189
  H      -2.646109     -0.818618      2.288172
  H      -6.653889      1.270098     -0.146647
  H      -8.059869     -3.047585      0.467731
  H      -7.256867     -4.977725      1.842146
  H      -5.212522     -4.746503      3.242899
  H      -3.961919     -2.622371      3.297900
  H      -5.291932      5.835030      4.849449
  H      -4.686190      6.577578      6.347373
  H      -3.933919      7.869013      4.461006
  H      -2.504516      7.088837      5.171435
  H      -4.778803      5.994928      0.440470
  H      -0.945811      3.468117      0.425010
  H       0.958060      3.163979      2.015035
  H       0.971100      4.371235      4.193923
  H      -0.899182      5.851449      4.813670
  H      -7.444679      1.493349      6.466901
  H      -7.190128      2.509913      5.043676
  H      -5.985590      0.412871      4.033047
  H      -6.854555     -0.526972      5.240243
  H      -9.316146      2.539474      1.546848
  H     -11.636429     -1.413894      1.510656
  H     -11.448295     -3.576411      2.751834
  H      -9.678931     -3.877336      4.476706
  H      -8.089000     -2.066330      4.971797
  N      -4.996031      3.468470      3.405111
  N      -5.918792      3.065842      2.397628
  H      -5.462829      2.293930      1.808594
  H      -6.836993      2.624965      2.760845
  H      -6.137553      3.864062      1.783520
91
Coordinates from ORCA-job orca E -6141.651703307696
  N      -2.730761      1.889746      4.086104
  Mo     -4.162016      2.992282      4.947631
  N      -5.422473      1.890759      5.981905
  C      -5.024622      1.259829      7.239450
  C      -3.509597      1.120539      7.286823
  N      -2.876240      2.346358      6.742101
  C      -1.525288      2.092906      6.194463
  C      -1.649125      1.330277      4.885872
  C      -2.897869      3.471977      7.709434
  C      -2.873585      4.790240      6.951291
  N      -3.827193      4.725540      5.845389
  H      -0.692721      1.408573      4.335312
  H      -1.803444      0.248267      5.077413
  H      -1.064527      3.070488      5.998050
  H      -0.894926      1.552708      6.923144
  H      -3.147782      5.605140      7.644270
  H      -1.850229      5.014949      6.596415
  H      -3.838925      3.401135      8.271243
  H      -2.060731      3.390114      8.425049
  H      -5.472981      0.255383      7.340904
  H      -5.395013      1.852369      8.099258
  H      -3.204816      0.284076      6.643822
  H      -3.149907      0.914841      8.310051
  C      -2.783336      1.319463      2.743075
  C      -3.382009     -0.106779      2.691355
  C      -4.653440     -0.321714      1.907273
  N      -5.176134      0.674352      1.197056
  C      -6.287873      0.417609      0.443538
  N      -6.943944     -0.712286      0.350504
  C      -6.467297     -1.747848      1.109791
  C      -7.162204     -2.978919      1.095500
  C      -6.707149     -4.035914      1.856791
  C      -5.545688     -3.901730      2.651158
  C      -4.847867     -2.709886      2.681014
  C      -5.293441     -1.604042      1.915288
  C      -4.388747      6.010409      5.445425
  C      -3.430742      6.903128      4.613365
  C      -3.170969      6.291850      3.268248
  N      -4.122552      6.465688      2.355170
  C      -3.983441      5.810989      1.176105
  N      -3.022542      4.978655      0.820393
  C      -2.011244      4.816932      1.724367
  C      -0.923579      3.970575      1.396126
  C       0.122055      3.810976      2.280659
  C       0.126419      4.492982      3.520392
  C      -0.923905      5.316953      3.867584
  C      -2.022951      5.490032      2.988383
  C      -6.801795      1.636829      5.581203
  C      -6.898263      0.399361      4.659054
  C      -8.069021      0.423119      3.720051
  N      -8.215214      1.542667      3.005015
  C      -9.234554      1.605203      2.106379
  N     -10.110294      0.664631      1.837906
  C      -9.978036     -0.503724      2.536115
  C     -10.874109     -1.564476      2.267370
  C     -10.762425     -2.754881      2.956439
  C      -9.757751     -2.928159      3.936554
  C      -8.868598     -1.911913      4.217832
  C      -8.953796     -0.676487      3.526017
  H      -3.345655      1.994584      2.089357
  H      -1.756605      1.281886      2.339411
  H      -3.556216     -0.454509      3.723312
  H      -2.642752     -0.814500      2.279241
  H      -6.663629      1.266000     -0.137975
  H      -8.058421     -3.054851      0.478938
  H      -7.246311     -4.984327      1.849100
  H      -5.197830     -4.749423      3.243167
  H      -3.951849     -2.622560      3.295487
  H      -5.291825      5.835268      4.847787
  H      -4.687162      6.577152      6.346523
  H      -3.933208      7.868893      4.460566
  H      -2.504594      7.088685      5.172504
  H      -4.774693      5.992817      0.439869
  H      -0.939166      3.469968      0.427045
  H       0.963697      3.167326      2.018602
  H       0.973634      4.373964      4.197846
  H      -0.898555      5.852289      4.816306
  H      -7.445159      1.496150      6.467657
  H      -7.190605      2.510442      5.042895
  H      -5.990050      0.408087      4.034914
  H      -6.862746     -0.526761      5.243301
  H      -9.319163      2.544675      1.550774
  H     -11.641781     -1.407197      1.508999
  H     -11.454978     -3.571625      2.747097
  H      -9.685494     -3.876195      4.471239
  H      -8.094620     -2.066893      4.969021
  N      -4.998559      3.469272      3.404507
  N      -5.921343      3.065073      2.397644
  H      -5.465710      2.291850      1.809777
  H      -6.839586      2.625271      2.761893
  H      -6.140117      3.862294      1.782274
91
Coordinates from ORCA-job orca E -6141.651703634288
  N      -2.731154      1.890201      4.084849
  Mo     -4.162553      2.992181      4.946889
  N      -5.422838      1.890236      5.980831
  C      -5.024698      1.258267      7.237762
  C      -3.509631      1.119382      7.284967
  N      -2.876643      2.345742      6.741043
  C      -1.525591      2.093056      6.193331
  C      -1.649105      1.331060      4.884326
  C      -2.898825      3.470837      7.708951
  C      -2.874564      4.789506      6.951485
  N      -3.827589      4.725118      5.845063
  H      -0.692787      1.410165      4.333729
  H      -1.802696      0.248861      5.075367
  H      -1.065103      3.070883      5.997527
  H      -0.895090      1.552645      6.921737
  H      -3.149301      5.603980      7.644755
  H      -1.851076      5.014672      6.597285
  H      -3.840058      3.399492      8.270396
  H      -2.061902      3.388812      8.424799
  H      -5.472760      0.253598      7.338354
  H      -5.395247      1.849962      8.098089
  H      -3.204640      0.283451      6.641375
  H      -3.149845      0.913078      8.308037
  C      -2.782892      1.320948      2.741345
  C      -3.379189     -0.106229      2.688498
  C      -4.652323     -0.322173      1.907518
  N      -5.177372      0.673366      1.198288
  C      -6.290365      0.415486      0.447005
  N      -6.945614     -0.715007      0.355413
  C      -6.466357     -1.750132      1.113657
  C      -7.160029     -2.981917      1.100678
  C      -6.702046     -4.038675      1.860552
  C      -5.538885     -3.903454      2.652253
  C      -4.842341     -2.710830      2.680932
  C      -5.290932     -1.605200      1.916662
  C      -4.388958      6.010125      5.445160
  C      -3.430553      6.902770      4.613560
  C      -3.170310      6.291397      3.268555
  N      -4.121804      6.464868      2.355314
  C      -3.982101      5.810419      1.176175
  N      -3.020580      4.978842      0.820422
  C      -2.009446      4.817411      1.724633
  C      -0.921112      3.971938      1.396330
  C       0.124304      3.812539      2.281155
  C       0.127771      4.493879      3.521260
  C      -0.923142      5.317085      3.868449
  C      -2.021948      5.490011      2.988912
  C      -6.802596      1.637425      5.580993
  C      -6.901115      0.399206      4.660092
  C      -8.071715      0.424270      3.720844
  N      -8.217134      1.544162      3.006225
  C      -9.236183      1.607614      2.107308
  N     -10.112373      0.667651      1.838222
  C      -9.980872     -0.501097      2.535933
  C     -10.877396     -1.561269      2.266439
  C     -10.766358     -2.752137      2.954823
  C      -9.761854     -2.926464      3.934924
  C      -8.872292     -1.910776      4.216940
  C      -8.956906     -0.674859      3.525944
  H      -3.346303      1.995628      2.088107
  H      -1.756107      1.285266      2.337637
  H      -3.549671     -0.456398      3.720219
  H      -2.639762     -0.811677      2.272745
  H      -6.668044      1.263444     -0.133898
  H      -8.057556     -3.058608      0.486111
  H      -7.240135     -4.987706      1.853745
  H      -5.188668     -4.750975      3.243115
  H      -3.945004     -2.622761      3.293362
  H      -5.291787      5.835124      4.847113
  H      -4.687746      6.576686      6.346249
  H      -3.932768      7.868628      4.460534
  H      -2.504616      7.088257      5.173084
  H      -4.773508      5.991662      0.439956
  H      -0.936055      3.471838      0.426979
  H       0.966453      3.169562      2.019077
  H       0.974768      4.374980      4.199009
  H      -0.898479      5.851997      4.817423
  H      -7.445678      1.498221      6.467903
  H      -7.190692      2.511034      5.042212
  H      -5.992675      0.405109      4.036173
  H      -6.867871     -0.526346      5.245374
  H      -9.320132      2.547390      1.552107
  H     -11.644847     -1.403195      1.508013
  H     -11.459251     -3.568445      2.744905
  H      -9.690033     -3.874872      4.469008
  H      -8.098471     -2.066616      4.968119
  N      -4.999689      3.469708      3.404210
  N      -5.922411      3.064573      2.397602
  H      -5.466733      2.290909      1.810366
  H      -6.840685      2.625163      2.762376
  H      -6.141389      3.861289      1.781670
91
Coordinates from ORCA-job orca E -6141.651703987365
  N      -2.731588      1.889752      4.084410
  Mo     -4.162850      2.991935      4.946338
  N      -5.423222      1.890009      5.980110
  C      -5.025267      1.257290      7.236688
  C      -3.510197      1.118467      7.284048
  N      -2.877230      2.345060      6.740608
  C      -1.526091      2.092628      6.193039
  C      -1.649362      1.330893      4.883847
  C      -2.899730      3.469839      7.708859
  C      -2.875331      4.788757      6.951793
  N      -3.827845      4.724597      5.844965
  H      -0.693060      1.410314      4.333270
  H      -1.802551      0.248612      5.074742
  H      -1.065593      3.070524      5.997614
  H      -0.895662      1.552049      6.921392
  H      -3.150397      5.602994      7.645216
  H      -1.851670      5.014122      6.598202
  H      -3.841094      3.398244      8.270043
  H      -2.062962      3.387672      8.424874
  H      -5.473297      0.252536      7.336581
  H      -5.395999      1.848464      8.097300
  H      -3.205078      0.282766      6.640223
  H      -3.150508      0.911864      8.307087
  C      -2.782091      1.321769      2.740322
  C      -3.376087     -0.106290      2.685945
  C      -4.650797     -0.322911      1.907753
  N      -5.177788      0.672276      1.199468
  C      -6.292021      0.413577      0.450299
  N      -6.946848     -0.717285      0.360156
  C      -6.465359     -1.752138      1.117357
  C      -7.158164     -2.984427      1.105601
  C      -6.697571     -4.041134      1.863969
  C      -5.532659     -3.905286      2.652988
  C      -4.837068     -2.712082      2.680621
  C      -5.288348     -1.606470      1.917905
  C      -4.389201      6.009679      5.445165
  C      -3.430529      6.902375      4.614016
  C      -3.170142      6.291363      3.268857
  N      -4.121578      6.465246      2.355615
  C      -3.981637      5.811504      1.176104
  N      -3.019750      4.980611      0.819784
  C      -2.008774      4.818660      1.724083
  C      -0.920135      3.973782      1.395270
  C       0.124984      3.813652      2.280320
  C       0.127821      4.493616      3.521185
  C      -0.923324      5.316339      3.868794
  C      -2.021772      5.490110      2.988972
  C      -6.803144      1.638012      5.580378
  C      -6.902755      0.399441      4.660074
  C      -8.073318      0.425423      3.720753
  N      -8.218141      1.545511      3.006339
  C      -9.237136      1.609701      2.107401
  N     -10.113867      0.670302      1.838162
  C      -9.983020     -0.498649      2.535673
  C     -10.880169     -1.558240      2.266013
  C     -10.769746     -2.749336      2.954109
  C      -9.765225     -2.924467      3.934049
  C      -8.875081     -1.909334      4.216241
  C      -8.959106     -0.673181      3.525600
  H      -3.346469      1.996100      2.087571
  H      -1.755158      1.288068      2.336821
  H      -3.543135     -0.459081      3.717290
  H      -2.636472     -0.809410      2.266542
  H      -6.671238      1.261162     -0.130148
  H      -8.057027     -3.061573      0.493041
  H      -7.234884     -4.990612      1.857990
  H      -5.180298     -4.752802      3.242579
  H      -3.938375     -2.623602      3.290989
  H      -5.291853      5.834792      4.846821
  H      -4.688345      6.575981      6.346298
  H      -3.932406      7.868431      4.461135
  H      -2.504669      7.087571      5.173783
  H      -4.773067      5.992996      0.439966
  H      -0.934662      3.474678      0.425399
  H       0.967351      3.171106      2.017891
  H       0.974505      4.374047      4.199206
  H      -0.899215      5.850242      4.818346
  H      -7.446321      1.499556      6.467351
  H      -7.190644      2.511713      5.041346
  H      -5.994144      0.403574      4.036332
  H      -6.870980     -0.525788      5.245955
  H      -9.320515      2.549630      1.552371
  H     -11.647569     -1.399561      1.507663
  H     -11.463109     -3.565212      2.744072
  H      -9.693834     -3.873064      4.467855
  H      -8.101255     -2.065825      4.967282
  N      -4.999997      3.469964      3.403786
  N      -5.922673      3.064360      2.397215
  H      -5.466906      2.290516      1.810452
  H      -6.841138      2.625349      2.762210
  H      -6.141627      3.860837      1.780967
91
Coordinates from ORCA-job orca E -6141.651704136124
  N      -2.731897      1.889001      4.084716
  Mo     -4.162854      2.991809      4.946248
  N      -5.423402      1.890198      5.980153
  C      -5.025783      1.257398      7.236764
  C      -3.510742      1.118328      7.284317
  N      -2.877558      2.344784      6.740812
  C      -1.526431      2.092084      6.193379
  C      -1.649727      1.330206      4.884265
  C      -2.899958      3.469593      7.709027
  C      -2.875426      4.788502      6.951933
  N      -3.827848      4.724392      5.845065
  H      -0.693402      1.409469      4.333708
  H      -1.802950      0.247955      5.075318
  H      -1.065747      3.069884      5.997903
  H      -0.896137      1.551469      6.921826
  H      -3.150454      5.602769      7.645340
  H      -1.851693      5.013776      6.598474
  H      -3.841313      3.398076      8.270232
  H      -2.063179      3.387384      8.425025
  H      -5.474003      0.252718      7.336545
  H      -5.396542      1.848614      8.097338
  H      -3.205684      0.282502      6.640628
  H      -3.151163      0.911810      8.307410
  C      -2.781612      1.321740      2.740293
  C      -3.374877     -0.106578      2.684895
  C      -4.650061     -0.323097      1.907442
  N      -5.177230      0.672083      1.199289
  C      -6.291818      0.413402      0.450638
  N      -6.946894     -0.717359      0.361004
  C      -6.465138     -1.752215      1.118033
  C      -7.158110     -2.984413      1.106721
  C      -6.697139     -4.041194      1.864755
  C      -5.531683     -3.905487      2.652997
  C      -4.835990     -2.712336      2.680274
  C      -5.287674     -1.606633      1.917933
  C      -4.389251      6.009487      5.445330
  C      -3.430604      6.902267      4.614277
  C      -3.170326      6.291510      3.268977
  N      -4.121804      6.465728      2.355831
  C      -3.981970      5.812296      1.176133
  N      -3.020148      4.981452      0.819520
  C      -2.009144      4.819162      1.723727
  C      -0.920572      3.974311      1.394620
  C       0.124519      3.813770      2.279631
  C       0.127401      4.493279      3.520747
  C      -0.923657      5.316001      3.868616
  C      -2.022066      5.490212      2.988829
  C      -6.803217      1.638275      5.580039
  C      -6.902638      0.399700      4.659706
  C      -8.073257      0.425631      3.720473
  N      -8.217898      1.545556      3.005764
  C      -9.236891      1.609700      2.106823
  N     -10.113775      0.670377      1.837826
  C      -9.983137     -0.498407      2.535654
  C     -10.880419     -1.557943      2.266223
  C     -10.770173     -2.748886      2.954610
  C      -9.765722     -2.923909      3.934641
  C      -8.875448     -1.908828      4.216611
  C      -8.959273     -0.672840      3.525646
  H      -3.346118      1.996098      2.087687
  H      -1.754513      1.288754      2.337156
  H      -3.540834     -0.460617      3.715962
  H      -2.635190     -0.808748      2.264003
  H      -6.671131      1.260906     -0.129870
  H      -8.057376     -3.061435      0.494733
  H      -7.234569     -4.990608      1.859109
  H      -5.178977     -4.753084      3.242268
  H      -3.936891     -2.624001      3.290057
  H      -5.291911      5.834623      4.846988
  H      -4.688456      6.575680      6.346512
  H      -3.932395      7.868396      4.461558
  H      -2.504711      7.087354      5.174034
  H      -4.773512      5.993934      0.440154
  H      -0.935141      3.475545      0.424576
  H       0.966828      3.171236      2.016986
  H       0.974042      4.373355      4.198757
  H      -0.899541      5.849577      4.818354
  H      -7.446654      1.499751      6.466818
  H      -7.190573      2.512006      5.040949
  H      -5.994011      0.403827      4.035990
  H      -6.870833     -0.525501      5.245637
  H      -9.320101      2.549502      1.551555
  H     -11.647761     -1.399356      1.507797
  H     -11.463608     -3.564738      2.744727
  H      -9.694475     -3.872388      4.468675
  H      -8.101653     -2.065232      4.967703
  N      -4.999642      3.470040      3.403557
  N      -5.922338      3.064501      2.396906
  H      -5.466485      2.290810      1.810141
  H      -6.840876      2.625472      2.761787
  H      -6.141263      3.861055      1.780743
