99
Coordinates from ORCA-job orca E -6706.869141561895
  N      -2.407235      3.252236      5.889948
  Mo     -2.668902      1.418142      5.083082
  N      -3.173405      0.380114      6.685714
  C      -2.203678      0.069266      7.718746
  C      -1.207800      1.209383      7.898610
  N      -0.575864      1.580259      6.630962
  C      -0.103499      2.959137      6.639984
  C      -1.081936      3.809732      5.794561
  C       0.433527      0.630776      6.170825
  C       0.111598      0.365895      4.686990
  N      -1.290406      0.059210      4.667310
  H      -0.752128      3.789390      4.750520
  H      -1.044772      4.849726      6.135980
  H       0.895539      3.034935      6.208737
  H      -0.066114      3.348390      7.661829
  H       0.730635     -0.442413      4.282772
  H       0.305535      1.278952      4.107584
  H       0.338900     -0.309299      6.718853
  H       1.449428      1.013329      6.300299
  H      -2.691412     -0.105257      8.686227
  H      -1.678245     -0.862664      7.447490
  H      -1.768118      2.074647      8.262491
  H      -0.451552      0.931760      8.645317
  C      -3.304953      4.084298      6.648592
  C      -3.634949      5.439212      5.956933
  O      -4.789723      5.334207      5.124228
  C      -4.629962      5.179204      3.791816
  O      -3.544908      5.275441      3.231829
  C      -5.914825      4.919573      3.121740
  N      -6.746118      4.077165      3.739609
  C      -7.913478      3.859977      3.144330
  N      -8.360992      4.387261      2.037108
  C      -7.548486      5.265163      1.396037
  C      -7.992780      5.878189      0.213774
  C      -7.177156      6.767094     -0.439666
  C      -5.903615      7.069489      0.060764
  C      -5.444340      6.484750      1.214371
  C      -6.252990      5.568061      1.906666
  C      -1.613876     -1.326708      4.483880
  C      -1.982344     -1.608896      2.999854
  O      -2.344185     -0.409134      2.323098
  C      -3.367406      0.331533      2.853293
  O      -4.034545     -0.124666      3.816356
  C      -3.894557      1.297755      1.878319
  N      -5.168922      1.645341      2.101815
  C      -5.731815      2.522968      1.280895
  N      -5.182125      3.111950      0.259285
  C      -3.896412      2.778620     -0.019276
  C      -3.280093      3.396343     -1.121685
  C      -1.993305      3.071886     -1.461250
  C      -1.288406      2.122403     -0.712447
  C      -1.864738      1.509120      0.371903
  C      -3.184372      1.816991      0.759142
  C      -4.350632     -0.436160      6.837303
  C      -5.341897      0.064006      7.908976
  O      -5.828421      1.370047      7.624747
  C      -6.794506      1.491464      6.695105
  O      -7.208005      0.546123      6.031285
  C      -7.309861      2.865281      6.654123
  N      -6.467516      3.797966      7.097715
  C      -6.927713      5.044366      7.146095
  N      -8.110004      5.471964      6.802379
  C      -8.996043      4.549524      6.360035
  C     -10.293673      4.958907      6.005077
  C     -11.216894      4.030002      5.599554
  C     -10.880140      2.670563      5.536436
  C      -9.618057      2.242575      5.865689
  C      -8.643497      3.170177      6.275391
  H      -2.864634      4.336156      7.626867
  H      -4.255548      3.570868      6.815626
  H      -2.800399      5.788813      5.339194
  H      -3.887667      6.194706      6.702575
  H      -8.562346      3.144863      3.636378
  H      -8.977015      5.628943     -0.148397
  H      -7.515724      7.241806     -1.347072
  H      -5.277017      7.770966     -0.467450
  H      -4.458779      6.706999      1.595215
  H      -2.480195     -1.577825      5.106879
  H      -0.774241     -1.976288      4.758780
  H      -2.809157     -2.324784      2.937922
  H      -1.126683     -1.976213      2.430646
  H      -6.758220      2.750527      1.492200
  H      -3.858395      4.115602     -1.679158
  H      -1.521473      3.542704     -2.309329
  H      -0.277058      1.871054     -0.990986
  H      -1.303252      0.777943      0.927582
  H      -4.891599     -0.465076      5.887238
  H      -4.084642     -1.467208      7.120839
  H      -6.184622     -0.633695      7.955925
  H      -4.872409      0.159278      8.889167
  H      -6.235085      5.785323      7.524262
  H     -10.530233      6.008349      6.075364
  H     -12.215015      4.340228      5.333581
  H     -11.622603      1.952216      5.225753
  H      -9.355350      1.197008      5.809384
  N      -2.466932      2.263566      3.138509
  N      -2.348449      2.759522      1.997753
  H      -1.474059      2.684132      1.477824
  H      -3.122774      3.253779      1.554243
99
Coordinates from ORCA-job orca E -6706.938697811661
  N      -2.399796      3.256123      5.901377
  Mo     -2.653335      1.423047      5.096959
  N      -3.156217      0.376609      6.697170
  C      -2.180967      0.067656      7.730172
  C      -1.190912      1.213338      7.913288
  N      -0.558965      1.590816      6.643814
  C      -0.093287      2.975106      6.651252
  C      -1.076439      3.820683      5.804485
  C       0.454582      0.644738      6.182787
  C       0.131199      0.380159      4.700728
  N      -1.270027      0.066111      4.679752
  H      -0.745488      3.801686      4.758024
  H      -1.044787      4.863222      6.145379
  H       0.907318      3.055024      6.219243
  H      -0.056972      3.364832      7.675147
  H       0.753397     -0.427125      4.294509
  H       0.322307      1.295928      4.120639
  H       0.363812     -0.297674      6.731294
  H       1.471036      1.032293      6.313415
  H      -2.668227     -0.112424      8.699174
  H      -1.648998     -0.862604      7.456764
  H      -1.755532      2.076680      8.279436
  H      -0.431488      0.938015      8.660971
  C      -3.316077      4.072400      6.660357
  C      -3.667571      5.426233      5.983193
  O      -4.820805      5.319371      5.141672
  C      -4.650773      5.188476      3.808372
  O      -3.567646      5.301217      3.250586
  C      -5.937502      4.934057      3.123802
  N      -6.770888      4.078935      3.717867
  C      -7.940340      3.865979      3.104840
  N      -8.381999      4.418343      1.999337
  C      -7.560684      5.311311      1.385218
  C      -7.992418      5.950129      0.207266
  C      -7.167591      6.853163     -0.420837
  C      -5.894825      7.145679      0.100673
  C      -5.447394      6.536866      1.249602
  C      -6.266921      5.605201      1.916613
  C      -1.594847     -1.324103      4.496043
  C      -1.966689     -1.620152      3.016007
  O      -2.334857     -0.429214      2.323098
  C      -3.360057      0.315628      2.853594
  O      -4.014829     -0.125549      3.836813
  C      -3.902664      1.258408      1.870029
  N      -5.174283      1.606497      2.095667
  C      -5.749831      2.473769      1.260099
  N      -5.205058      3.049546      0.213100
  C      -3.917853      2.714578     -0.072745
  C      -3.312197      3.310011     -1.201795
  C      -2.028409      2.977725     -1.558694
  C      -1.307134      2.034690     -0.803493
  C      -1.864124      1.442233      0.306899
  C      -3.187606      1.768254      0.727947
  C      -4.338860     -0.442229      6.834274
  C      -5.340537      0.041299      7.903679
  O      -5.833962      1.355197      7.641082
  C      -6.794314      1.492635      6.704657
  O      -7.197331      0.564172      6.015152
  C      -7.318003      2.874705      6.683461
  N      -6.490863      3.804914      7.157205
  C      -6.957800      5.056309      7.220313
  N      -8.142115      5.485641      6.862126
  C      -9.013718      4.559983      6.387594
  C     -10.310762      4.966608      6.013474
  C     -11.220907      4.036485      5.572491
  C     -10.871518      2.676594      5.491164
  C      -9.610300      2.250671      5.837994
  C      -8.648399      3.180314      6.285367
  H      -2.883411      4.324728      7.644882
  H      -4.259858      3.540835      6.820910
  H      -2.835064      5.797457      5.373786
  H      -3.936586      6.168212      6.740598
  H      -8.594222      3.137689      3.581268
  H      -8.976178      5.707651     -0.172462
  H      -7.497491      7.347455     -1.325967
  H      -5.259689      7.859230     -0.409103
  H      -4.462560      6.750099      1.646256
  H      -2.460062     -1.574495      5.121711
  H      -0.751658     -1.971521      4.774420
  H      -2.792733     -2.341024      2.965568
  H      -1.110249     -1.992648      2.447533
  H      -6.782421      2.705738      1.479617
  H      -3.901695      4.018958     -1.768347
  H      -1.570914      3.432632     -2.428372
  H      -0.298766      1.772834     -1.098485
  H      -1.293529      0.714771      0.865136
  H      -4.871788     -0.461360      5.878472
  H      -4.074118     -1.478216      7.108711
  H      -6.181697     -0.662103      7.932740
  H      -4.878553      0.122915      8.891008
  H      -6.270154      5.796106      7.623060
  H     -10.557529      6.016878      6.097353
  H     -12.219617      4.345909      5.291232
  H     -11.604862      1.956073      5.151384
  H      -9.338076      1.205454      5.767053
  N      -2.426524      2.298429      3.183699
  N      -2.295818      2.810583      2.034698
  H      -1.411480      2.747709      1.521693
  H      -3.066364      3.319109      1.596375
99
Coordinates from ORCA-job orca E -6706.985769777622
  N      -2.369658      3.263591      5.902436
  Mo     -2.633066      1.435065      5.099802
  N      -3.144179      0.383915      6.700757
  C      -2.164089      0.068642      7.731264
  C      -1.169200      1.209284      7.915963
  N      -0.534734      1.587024      6.643896
  C      -0.063736      2.973690      6.648487
  C      -1.044946      3.823896      5.801645
  C       0.472622      0.633663      6.179754
  C       0.142160      0.372447      4.700205
  N      -1.260427      0.063713      4.679110
  H      -0.714767      3.804393      4.752107
  H      -1.009623      4.869061      6.142511
  H       0.939179      3.047924      6.215094
  H      -0.023656      3.362523      7.674989
  H       0.758544     -0.440436      4.290526
  H       0.338919      1.288926      4.118576
  H       0.377079     -0.310217      6.729130
  H       1.493714      1.016441      6.310901
  H      -2.650997     -0.111619      8.703117
  H      -1.634943     -0.865667      7.455961
  H      -1.728403      2.077171      8.284380
  H      -0.408187      0.929430      8.664056
  C      -3.301110      4.064360      6.664436
  C      -3.672375      5.417703      6.008270
  O      -4.827838      5.307085      5.161583
  C      -4.652745      5.200344      3.828638
  O      -3.576996      5.327624      3.263751
  C      -5.948381      4.944994      3.140709
  N      -6.772965      4.080026      3.725427
  C      -7.949861      3.860259      3.108406
  N      -8.399861      4.426017      2.005955
  C      -7.579673      5.331611      1.403654
  C      -8.014611      5.983422      0.229020
  C      -7.192596      6.898124     -0.390835
  C      -5.916302      7.192006      0.135013
  C      -5.464859      6.572463      1.279438
  C      -6.283650      5.627592      1.938919
  C      -1.602760     -1.326529      4.496109
  C      -1.981484     -1.629940      3.021117
  O      -2.342541     -0.443480      2.310898
  C      -3.361630      0.316696      2.842373
  O      -4.005706     -0.100771      3.851392
  C      -3.908280      1.246045      1.855932
  N      -5.175307      1.612419      2.080692
  C      -5.745259      2.479553      1.234003
  N      -5.192473      3.040504      0.169456
  C      -3.909344      2.685330     -0.111802
  C      -3.297744      3.259603     -1.256018
  C      -2.018864      2.907856     -1.617048
  C      -1.302813      1.960214     -0.851812
  C      -1.862374      1.390052      0.271127
  C      -3.181154      1.742675      0.704742
  C      -4.338535     -0.427695      6.831603
  C      -5.339265      0.048952      7.902838
  O      -5.838164      1.371660      7.659325
  C      -6.804083      1.505239      6.725606
  O      -7.204454      0.580849      6.034393
  C      -7.341431      2.895165      6.700274
  N      -6.528913      3.836894      7.169434
  C      -7.006547      5.093334      7.218365
  N      -8.197871      5.511062      6.848520
  C      -9.055992      4.565737      6.377312
  C     -10.357707      4.954999      5.987663
  C     -11.255859      4.009627      5.545806
  C     -10.889658      2.648740      5.478028
  C      -9.624380      2.238487      5.839494
  C      -8.674083      3.185423      6.289810
  H      -2.874888      4.312239      7.656344
  H      -4.238605      3.516305      6.818883
  H      -2.843097      5.812185      5.407312
  H      -3.956470      6.143518      6.779868
  H      -8.599208      3.121029      3.582186
  H      -9.000739      5.739427     -0.155416
  H      -7.526404      7.401711     -1.294509
  H      -5.282205      7.916074     -0.369973
  H      -4.477747      6.786141      1.678447
  H      -2.468301     -1.567054      5.125709
  H      -0.762693     -1.981101      4.778035
  H      -2.814344     -2.347078      2.982148
  H      -1.128183     -2.017413      2.453720
  H      -6.780893      2.730236      1.455508
  H      -3.884410      3.969912     -1.831969
  H      -1.559844      3.347450     -2.499157
  H      -0.296342      1.678097     -1.150151
  H      -1.298972      0.658277      0.837804
  H      -4.868724     -0.438652      5.873455
  H      -4.079271     -1.469299      7.099458
  H      -6.182856     -0.654790      7.924834
  H      -4.875893      0.118338      8.892979
  H      -6.321022      5.844402      7.615916
  H     -10.617545      6.007277      6.059932
  H     -12.259023      4.307695      5.252001
  H     -11.614653      1.914888      5.135851
  H      -9.339327      1.193141      5.777968
  N      -2.372686      2.335303      3.231939
  N      -2.220439      2.866246      2.084644
  H      -1.332699      2.803123      1.580570
  H      -2.976337      3.398485      1.652348
99
Coordinates from ORCA-job orca E -6707.017553274040
  N      -2.363291      3.268271      5.895897
  Mo     -2.618702      1.440262      5.097036
  N      -3.132251      0.381879      6.701463
  C      -2.147665      0.070723      7.730596
  C      -1.159093      1.215718      7.917118
  N      -0.522525      1.597036      6.644194
  C      -0.059122      2.989717      6.644351
  C      -1.043210      3.835015      5.793928
  C       0.486978      0.643766      6.180437
  C       0.154825      0.378722      4.702866
  N      -1.245744      0.063154      4.679565
  H      -0.711092      3.816217      4.743342
  H      -1.014299      4.883155      6.132799
  H       0.946105      3.065373      6.212756
  H      -0.021214      3.378906      7.672297
  H       0.772696     -0.435420      4.293598
  H       0.350893      1.294885      4.117370
  H       0.392906     -0.300213      6.732511
  H       1.508330      1.030282      6.314031
  H      -2.634026     -0.112246      8.704156
  H      -1.612956     -0.862911      7.456710
  H      -1.720613      2.083796      8.284571
  H      -0.396304      0.939856      8.667359
  C      -3.316489      4.046246      6.656535
  C      -3.708948      5.395353      6.014557
  O      -4.861710      5.279297      5.156083
  C      -4.676771      5.196782      3.825012
  O      -3.604817      5.335644      3.258481
  C      -5.979747      4.952070      3.127264
  N      -6.805149      4.081485      3.695281
  C      -7.984821      3.866760      3.068297
  N      -8.433210      4.452730      1.972274
  C      -7.605935      5.366359      1.388584
  C      -8.034465      6.037252      0.219229
  C      -7.207111      6.958264     -0.385939
  C      -5.928896      7.241593      0.149084
  C      -5.482980      6.604920      1.287495
  C      -6.309575      5.652480      1.932552
  C      -1.593948     -1.328656      4.501970
  C      -1.974871     -1.645218      3.032696
  O      -2.336821     -0.468226      2.301837
  C      -3.354627      0.300911      2.827726
  O      -3.983885     -0.092873      3.862649
  C      -3.909455      1.214821      1.838153
  N      -5.175549      1.591195      2.064842
  C      -5.742876      2.453439      1.212413
  N      -5.188935      3.006106      0.135397
  C      -3.908354      2.640440     -0.140904
  C      -3.294672      3.202795     -1.294676
  C      -2.018640      2.841950     -1.658549
  C      -1.304642      1.893520     -0.887521
  C      -1.865613      1.337854      0.243586
  C      -3.177949      1.704962      0.684316
  C      -4.330545     -0.430104      6.823991
  C      -5.332006      0.028658      7.898438
  O      -5.839760      1.359568      7.684324
  C      -6.804600      1.504063      6.750613
  O      -7.197974      0.599038      6.033912
  C      -7.348242      2.901946      6.749105
  N      -6.549603      3.835806      7.248334
  C      -7.030408      5.095818      7.308856
  N      -8.218014      5.519051      6.923692
  C      -9.062727      4.574906      6.420000
  C     -10.358470      4.968066      6.007626
  C     -11.244746      4.028553      5.527245
  C     -10.872061      2.667771      5.441491
  C      -9.612902      2.253435      5.824029
  C      -8.674740      3.195846      6.316049
  H      -2.902791      4.293711      7.656437
  H      -4.244004      3.476600      6.803542
  H      -2.881510      5.814369      5.426616
  H      -4.013819      6.104789      6.795480
  H      -8.636676      3.120984      3.533383
  H      -9.021823      5.800541     -0.173665
  H      -7.537038      7.475560     -1.286354
  H      -5.289482      7.971618     -0.345843
  H      -4.494472      6.809632      1.692535
  H      -2.457819     -1.564355      5.135691
  H      -0.752919     -1.982348      4.790796
  H      -2.807906     -2.364737      3.004687
  H      -1.121461     -2.042072      2.469234
  H      -6.780114      2.714368      1.436170
  H      -3.881753      3.912223     -1.876285
  H      -1.559888      3.272554     -2.548514
  H      -0.299185      1.599890     -1.187493
  H      -1.306539      0.605164      0.816868
  H      -4.855113     -0.433370      5.862439
  H      -4.072108     -1.476105      7.082291
  H      -6.173838     -0.679013      7.908721
  H      -4.869622      0.082524      8.891598
  H      -6.349426      5.841573      7.729240
  H     -10.623101      6.020789      6.092675
  H     -12.243752      4.331166      5.215070
  H     -11.588181      1.937306      5.067072
  H      -9.322735      1.208964      5.747373
  N      -2.332369      2.356685      3.280568
  N      -2.158393      2.909921      2.143534
  H      -1.265687      2.852700      1.648940
  H      -2.903557      3.461050      1.715180
99
Coordinates from ORCA-job orca E -6707.038938648404
  N      -2.323782      3.281091      5.891415
  Mo     -2.599880      1.457056      5.091267
  N      -3.125103      0.399049      6.703628
  C      -2.137404      0.082194      7.727706
  C      -1.138537      1.216951      7.910686
  N      -0.498866      1.590761      6.635318
  C      -0.024007      2.981756      6.630085
  C      -1.002361      3.837289      5.782476
  C       0.496703      0.623236      6.166780
  C       0.153547      0.357061      4.692019
  N      -1.249038      0.053591      4.672355
  H      -0.673738      3.817669      4.730079
  H      -0.963636      4.886330      6.121926
  H       0.982692      3.044676      6.197526
  H       0.020897      3.368965      7.659298
  H       0.760037     -0.466729      4.281960
  H       0.359316      1.268639      4.100865
  H       0.392854     -0.318522      6.722224
  H       1.523492      0.998911      6.298811
  H      -2.621446     -0.095248      8.704772
  H      -1.610892     -0.857940      7.455663
  H      -1.687896      2.093802      8.277341
  H      -0.376111      0.935437      8.660691
  C      -3.278775      4.047815      6.661533
  C      -3.680236      5.398992      6.040645
  O      -4.840248      5.284366      5.185896
  C      -4.660639      5.219339      3.856118
  O      -3.595740      5.358550      3.277716
  C      -5.976082      4.981362      3.165940
  N      -6.796020      4.111963      3.738194
  C      -7.981525      3.893583      3.116670
  N      -8.438610      4.482843      2.025204
  C      -7.612931      5.397264      1.438310
  C      -8.048660      6.068917      0.270368
  C      -7.224812      6.988539     -0.341785
  C      -5.941107      7.271021      0.184285
  C      -5.487769      6.634673      1.320258
  C      -6.312491      5.683321      1.972781
  C      -1.622713     -1.333479      4.503980
  C      -2.018231     -1.657523      3.042388
  O      -2.368709     -0.485411      2.293214
  C      -3.369087      0.307753      2.814296
  O      -3.980931     -0.049198      3.877699
  C      -3.921360      1.220052      1.823872
  N      -5.179490      1.628695      2.060764
  C      -5.731854      2.497861      1.208738
  N      -5.174446      3.036576      0.121744
  C      -3.903869      2.640204     -0.156994
  C      -3.283495      3.185895     -1.317198
  C      -2.017732      2.796201     -1.689258
  C      -1.320711      1.833300     -0.920385
  C      -1.888647      1.295795      0.217521
  C      -3.185412      1.695726      0.667940
  C      -4.331892     -0.402102      6.833576
  C      -5.322495      0.059795      7.912303
  O      -5.837920      1.392884      7.698517
  C      -6.816162      1.505861      6.774623
  O      -7.213302      0.582446      6.086085
  C      -7.374928      2.905304      6.736022
  N      -6.585706      3.865383      7.193961
  C      -7.078460      5.125473      7.201870
  N      -8.271932      5.521760      6.803809
  C      -9.107488      4.546324      6.342332
  C     -10.407758      4.910518      5.914480
  C     -11.285322      3.944752      5.470763
  C     -10.898735      2.584346      5.437869
  C      -9.635376      2.197225      5.836325
  C      -8.706077      3.168033      6.293062
  H      -2.864946      4.285631      7.665508
  H      -4.201510      3.469997      6.810525
  H      -2.857296      5.832984      5.456756
  H      -3.989211      6.095343      6.832614
  H      -8.629074      3.147693      3.588008
  H      -9.039849      5.832035     -0.116472
  H      -7.560920      7.505414     -1.241772
  H      -5.303846      8.000418     -0.317171
  H      -4.495069      6.838541      1.717493
  H      -2.483954     -1.552285      5.147177
  H      -0.789015     -1.997476      4.795581
  H      -2.860796     -2.367301      3.028408
  H      -1.174012     -2.075240      2.478675
  H      -6.763163      2.786365      1.438230
  H      -3.860011      3.906787     -1.897946
  H      -1.555051      3.214305     -2.584911
  H      -0.323407      1.513798     -1.225925
  H      -1.344012      0.551817      0.791555
  H      -4.859690     -0.408402      5.873833
  H      -4.076976     -1.450075      7.093150
  H      -6.165817     -0.646732      7.932970
  H      -4.852282      0.115010      8.902577
  H      -6.399816      5.894757      7.584655
  H     -10.682202      5.964676      5.957162
  H     -12.287791      4.226380      5.145726
  H     -11.608021      1.832248      5.090444
  H      -9.334568      1.152889      5.798697
  N      -2.285286      2.376867      3.327854
  N      -2.082345      2.953186      2.206585
  H      -1.186867      2.886389      1.717132
  H      -2.808865      3.536266      1.785309
99
Coordinates from ORCA-job orca E -6707.053258561802
  N      -2.357567      3.283301      5.875822
  Mo     -2.597001      1.454786      5.069429
  N      -3.127629      0.383933      6.684947
  C      -2.141674      0.081943      7.713737
  C      -1.163241      1.232079      7.906234
  N      -0.514560      1.617016      6.637744
  C      -0.063409      3.017576      6.634366
  C      -1.046666      3.860647      5.778318
  C       0.496246      0.660666      6.175902
  C       0.167414      0.383766      4.699822
  N      -1.229105      0.057542      4.667239
  H      -0.706700      3.848594      4.729337
  H      -1.027677      4.910731      6.118943
  H       0.948121      3.092793      6.213981
  H      -0.033828      3.402790      7.665239
  H       0.788482     -0.434214      4.297967
  H       0.367533      1.294609      4.104778
  H       0.398749     -0.280842      6.733424
  H       1.516850      1.050526      6.319094
  H      -2.629042     -0.102901      8.688677
  H      -1.598129     -0.851311      7.448524
  H      -1.726913      2.102580      8.266806
  H      -0.403449      0.963396      8.664396
  C      -3.341291      4.017561      6.640098
  C      -3.765449      5.362257      6.025612
  O      -4.912628      5.230858      5.150156
  C      -4.715927      5.186821      3.823712
  O      -3.647433      5.340865      3.255374
  C      -6.028464      4.957530      3.113847
  N      -6.853719      4.080673      3.664841
  C      -8.031110      3.863871      3.024422
  N      -8.476683      4.467640      1.936544
  C      -7.644182      5.390723      1.371638
  C      -8.066750      6.074486      0.205287
  C      -7.236981      7.000573     -0.388402
  C      -5.959217      7.278419      0.155244
  C      -5.518473      6.630956      1.289830
  C      -6.350550      5.672716      1.923756
  C      -1.590139     -1.333062      4.505823
  C      -1.975355     -1.673906      3.047039
  O      -2.335450     -0.515502      2.276746
  C      -3.341558      0.276338      2.778065
  O      -3.937644     -0.055032      3.861000
  C      -3.900968      1.175329      1.779757
  N      -5.163431      1.580824      2.015522
  C      -5.716480      2.441376      1.158897
  N      -5.160851      2.983293      0.070653
  C      -3.885581      2.593449     -0.198945
  C      -3.261166      3.141872     -1.355350
  C      -1.990457      2.759089     -1.720770
  C      -1.293613      1.800982     -0.948094
  C      -1.866374      1.262729      0.188313
  C      -3.163722      1.657484      0.630892
  C      -4.328108     -0.427941      6.802169
  C      -5.318115     -0.000896      7.892578
  O      -5.843726      1.340045      7.732018
  C      -6.818419      1.498560      6.812278
  O      -7.210367      0.621253      6.063403
  C      -7.368817      2.905475      6.851184
  N      -6.585302      3.824389      7.391826
  C      -7.064257      5.089127      7.461161
  N      -8.240012      5.524003      7.052619
  C      -9.070085      4.588247      6.504869
  C     -10.349457      4.997668      6.054838
  C     -11.221048      4.075899      5.516428
  C     -10.848145      2.715426      5.407594
  C      -9.605066      2.285580      5.825710
  C      -8.682790      3.210968      6.381372
  H      -2.949919      4.256126      7.654342
  H      -4.250044      3.413601      6.776330
  H      -2.944043      5.824338      5.461405
  H      -4.105824      6.041824      6.819367
  H      -8.682509      3.110881      3.481518
  H      -9.053351      5.839962     -0.195978
  H      -7.563082      7.525864     -1.287803
  H      -5.316622      8.013166     -0.332495
  H      -4.529867      6.831393      1.699528
  H      -2.449845     -1.556784      5.149386
  H      -0.751034     -1.986226      4.809129
  H      -2.808867     -2.394624      3.035673
  H      -1.124086     -2.090243      2.492432
  H      -6.751003      2.725790      1.382689
  H      -3.839397      3.859069     -1.940039
  H      -1.524996      3.179324     -2.614696
  H      -0.292811      1.484980     -1.247606
  H      -1.321452      0.522736      0.767382
  H      -4.850535     -0.424382      5.839479
  H      -4.067690     -1.479760      7.044004
  H      -6.156462     -0.713514      7.897138
  H      -4.846219      0.027926      8.883523
  H      -6.387621      5.824741      7.908554
  H     -10.612139      6.051430      6.155208
  H     -12.207218      4.392860      5.172907
  H     -11.551949      1.997506      4.983561
  H      -9.314447      1.242292      5.727667
  N      -2.261801      2.379447      3.360426
  N      -2.029760      2.984112      2.260053
  H      -1.125410      2.927302      1.785096
  H      -2.746160      3.581144      1.838908
99
Coordinates from ORCA-job orca E -6707.063583563584
  N      -2.303967      3.302622      5.877602
  Mo     -2.574199      1.476240      5.062204
  N      -3.118533      0.412381      6.692187
  C      -2.129644      0.105144      7.714741
  C      -1.132983      1.239781      7.895313
  N      -0.482068      1.609058      6.622621
  C      -0.011545      3.003644      6.612726
  C      -0.989159      3.863848      5.767091
  C       0.506945      0.632498      6.152449
  C       0.161574      0.350508      4.680550
  N      -1.238943      0.043187      4.657311
  H      -0.657534      3.852372      4.715655
  H      -0.952363      4.912645      6.111405
  H       0.999838      3.060810      6.188461
  H       0.031113      3.386008      7.644351
  H       0.767164     -0.480307      4.279982
  H       0.373916      1.252733      4.076445
  H       0.396450     -0.304066      6.715935
  H       1.534926      1.005626      6.289225
  H      -2.610768     -0.068114      8.695442
  H      -1.599770     -0.837789      7.454268
  H      -1.678124      2.123132      8.253181
  H      -0.373814      0.963981      8.651951
  C      -3.270553      4.033136      6.664877
  C      -3.695269      5.384757      6.072006
  O      -4.857467      5.261781      5.212852
  C      -4.678606      5.226378      3.885478
  O      -3.615578      5.365782      3.302200
  C      -6.003438      5.010527      3.191153
  N      -6.831165      4.145711      3.756771
  C      -8.013824      3.930355      3.125551
  N      -8.463129      4.529264      2.037191
  C      -7.627531      5.440889      1.457845
  C      -8.053600      6.115896      0.287613
  C      -7.220869      7.027988     -0.323112
  C      -5.936448      7.300153      0.207247
  C      -5.492253      6.661043      1.345179
  C      -6.327757      5.717776      1.996578
  C      -1.630642     -1.339504      4.511438
  C      -2.042412     -1.686884      3.062026
  O      -2.392307     -0.532512      2.276326
  C      -3.368665      0.289140      2.772242
  O      -3.937398      0.006850      3.884230
  C      -3.923230      1.194486      1.773931
  N      -5.169717      1.639445      2.034571
  C      -5.712166      2.511044      1.183668
  N      -5.162722      3.036850      0.084296
  C      -3.901634      2.610979     -0.204147
  C      -3.277746      3.141434     -1.367594
  C      -2.022379      2.722452     -1.750728
  C      -1.343139      1.746365     -0.987894
  C      -1.915749      1.225530      0.158009
  C      -3.193139      1.657636      0.615822
  C      -4.326188     -0.385778      6.825279
  C      -5.306011      0.057416      7.915713
  O      -5.845523      1.391401      7.727931
  C      -6.839734      1.493749      6.822282
  O      -7.241677      0.571416      6.135242
  C      -7.410184      2.895672      6.789804
  N      -6.630814      3.861654      7.249663
  C      -7.126275      5.122675      7.230299
  N      -8.313463      5.511198      6.809864
  C      -9.139069      4.526888      6.346323
  C     -10.429281      4.887666      5.885693
  C     -11.295814      3.919494      5.426645
  C     -10.906118      2.559609      5.411095
  C      -9.652304      2.176062      5.841896
  C      -8.735051      3.149743      6.317699
  H      -2.865862      4.257341      7.678021
  H      -4.178153      3.431416      6.814633
  H      -2.880458      5.850713      5.501697
  H      -4.023848      6.057800      6.875767
  H      -8.666061      3.186763      3.594560
  H      -9.045178      5.884773     -0.103523
  H      -7.549385      7.545768     -1.226080
  H      -5.291423      8.023609     -0.294179
  H      -4.498419      6.857537      1.744021
  H      -2.483659     -1.542380      5.170936
  H      -0.801026     -2.006844      4.811423
  H      -2.888264     -2.393004      3.067980
  H      -1.207373     -2.126998      2.501165
  H      -6.734396      2.827292      1.422655
  H      -3.843649      3.874699     -1.944576
  H      -1.557581      3.129591     -2.651146
  H      -0.355891      1.401463     -1.300611
  H      -1.382953      0.472432      0.731355
  H      -4.853778     -0.397073      5.865436
  H      -4.069673     -1.436576      7.079895
  H      -6.142587     -0.656878      7.944343
  H      -4.826198      0.107586      8.902050
  H      -6.451958      5.898540      7.607426
  H     -10.703415      5.943048      5.912714
  H     -12.289932      4.199269      5.073658
  H     -11.605303      1.804452      5.048205
  H      -9.349213      1.132032      5.813839
  N      -2.219863      2.388447      3.394105
  N      -1.956227      3.011267      2.310346
  H      -1.053965      2.931689      1.833987
  H      -2.649497      3.643973      1.901116
99
Coordinates from ORCA-job orca E -6707.071088494710
  N      -2.329966      3.310709      5.869962
  Mo     -2.571068      1.480092      5.036277
  N      -3.128258      0.410743      6.673319
  C      -2.142517      0.113660      7.699636
  C      -1.156353      1.255678      7.884646
  N      -0.495187      1.630190      6.618700
  C      -0.039297      3.029952      6.613589
  C      -1.021727      3.886356      5.768139
  C       0.501874      0.659027      6.151882
  C       0.167485      0.364847      4.679631
  N      -1.229271      0.043238      4.646316
  H      -0.682645      3.885780      4.719300
  H      -0.996382      4.933530      6.118848
  H       0.975783      3.095498      6.199198
  H      -0.006379      3.407671      7.647407
  H       0.784189     -0.463060      4.289113
  H       0.378455      1.263798      4.070245
  H       0.393424     -0.275730      6.718816
  H       1.526217      1.039461      6.296226
  H      -2.624435     -0.061719      8.680059
  H      -1.603169     -0.826519      7.446861
  H      -1.709217      2.136742      8.235834
  H      -0.401458      0.988536      8.648805
  C      -3.307352      4.017202      6.663612
  C      -3.747030      5.367544      6.080054
  O      -4.899970      5.231747      5.208824
  C      -4.710331      5.209619      3.883200
  O      -3.641700      5.353143      3.309688
  C      -6.029791      5.006261      3.174969
  N      -6.867558      4.143733      3.730479
  C      -8.042761      3.931750      3.085306
  N      -8.477786      4.533738      1.993323
  C      -7.633009      5.443482      1.424210
  C      -8.044516      6.119222      0.249434
  C      -7.202468      7.028102     -0.353312
  C      -5.923451      7.296451      0.190830
  C      -5.493315      6.656466      1.333820
  C      -6.338153      5.716088      1.977068
  C      -1.615196     -1.340303      4.509733
  C      -2.027487     -1.701850      3.063402
  O      -2.385675     -0.559055      2.259683
  C      -3.355689      0.269229      2.737242
  O      -3.902681      0.025448      3.869411
  C      -3.911897      1.170363      1.732338
  N      -5.154939      1.623110      2.002305
  C      -5.698766      2.491563      1.148489
  N      -5.154672      3.014783      0.046301
  C      -3.893932      2.585700     -0.246159
  C      -3.269158      3.114053     -1.407804
  C      -2.014220      2.690026     -1.791579
  C      -1.338289      1.713604     -1.028967
  C      -1.912345      1.194829      0.118338
  C      -3.187774      1.630574      0.571754
  C      -4.331327     -0.392016      6.806464
  C      -5.297317      0.027540      7.917034
  O      -5.839795      1.366111      7.768301
  C      -6.841128      1.489914      6.874503
  O      -7.241408      0.586774      6.160862
  C      -7.412532      2.891910      6.880358
  N      -6.642151      3.841706      7.387349
  C      -7.133947      5.104346      7.390309
  N      -8.309657      5.507977      6.953617
  C      -9.126459      4.540304      6.442135
  C     -10.401739      4.920443      5.956674
  C     -11.257103      3.970865      5.441246
  C     -10.869870      2.611333      5.392773
  C      -9.630112      2.209683      5.847357
  C      -8.724896      3.163562      6.382252
  H      -2.913487      4.236212      7.683032
  H      -4.205951      3.400553      6.807922
  H      -2.934942      5.852552      5.522216
  H      -4.095399      6.028633      6.885394
  H      -8.701286      3.188437      3.545408
  H      -9.032302      5.890289     -0.152238
  H      -7.519311      7.545749     -1.260415
  H      -5.270949      8.017511     -0.304186
  H      -4.503513      6.851618      1.742496
  H      -2.464372     -1.544568      5.174267
  H      -0.783212     -2.003069      4.813908
  H      -2.868676     -2.413156      3.074059
  H      -1.191657     -2.143942      2.505600
  H      -6.720058      2.809543      1.386725
  H      -3.832363      3.849453     -1.984614
  H      -1.548429      3.095996     -2.691859
  H      -0.352117      1.365554     -1.341485
  H      -1.379452      0.443124      0.693518
  H      -4.867988     -0.396921      5.851432
  H      -4.069613     -1.446097      7.044846
  H      -6.133508     -0.687133      7.944835
  H      -4.804555      0.056715      8.897743
  H      -6.466257      5.867813      7.802525
  H     -10.672511      5.975683      6.008233
  H     -12.239096      4.265567      5.067383
  H     -11.559016      1.870802      4.983662
  H      -9.328541      1.166491      5.791901
  N      -2.197216      2.389549      3.404539
  N      -1.902083      3.032989      2.339698
  H      -0.996302      2.944837      1.872556
  H      -2.579296      3.684962      1.934241
99
Coordinates from ORCA-job orca E -6707.076890600862
  N      -2.322037      3.324391      5.874986
  Mo     -2.553043      1.490227      5.026022
  N      -3.119046      0.426009      6.676189
  C      -2.131344      0.137615      7.701729
  C      -1.143153      1.278639      7.875417
  N      -0.479439      1.645244      6.608083
  C      -0.024896      3.045579      6.598938
  C      -1.016298      3.903323      5.764266
  C       0.512928      0.669045      6.139733
  C       0.174448      0.359693      4.671309
  N      -1.221693      0.037015      4.641154
  H      -0.683206      3.908611      4.713621
  H      -0.989613      4.949182      6.118948
  H       0.989096      3.110480      6.181654
  H       0.014151      3.421852      7.633257
  H       0.792469     -0.471451      4.289043
  H       0.386159      1.251575      4.051884
  H       0.404076     -0.260450      6.715407
  H       1.538412      1.048027      6.279475
  H      -2.606608     -0.031454      8.686683
  H      -1.591991     -0.805121      7.456703
  H      -1.693001      2.164012      8.219971
  H      -0.388335      1.017502      8.641798
  C      -3.288866      4.018124      6.690053
  C      -3.735654      5.371934      6.118880
  O      -4.890466      5.239453      5.249143
  C      -4.704859      5.226386      3.922307
  O      -3.634198      5.357383      3.348082
  C      -6.027071      5.048791      3.214733
  N      -6.882365      4.203624      3.772808
  C      -8.058965      4.008690      3.125876
  N      -8.480709      4.612505      2.029546
  C      -7.619100      5.504618      1.457726
  C      -8.016426      6.179856      0.278047
  C      -7.157567      7.070430     -0.328705
  C      -5.876105      7.320645      0.217345
  C      -5.459414      6.680409      1.365430
  C      -6.320768      5.758094      2.012525
  C      -1.615575     -1.343941      4.519977
  C      -2.048864     -1.718281      3.081650
  O      -2.415286     -0.585717      2.262143
  C      -3.364234      0.260171      2.731856
  O      -3.877772      0.064692      3.889526
  C      -3.924044      1.161676      1.727587
  N      -5.153737      1.635758      2.023837
  C      -5.703675      2.504054      1.172369
  N      -5.175559      3.014041      0.057574
  C      -3.924608      2.567547     -0.257864
  C      -3.311157      3.083307     -1.429044
  C      -2.066845      2.640256     -1.830080
  C      -1.392005      1.660034     -1.073348
  C      -1.955347      1.152658      0.085422
  C      -3.219254      1.605176      0.550268
  C      -4.318256     -0.379443      6.814491
  C      -5.283012      0.037001      7.927178
  O      -5.845047      1.366739      7.767792
  C      -6.859635      1.465699      6.885352
  O      -7.263804      0.543644      6.197335
  C      -7.440708      2.861803      6.868538
  N      -6.673769      3.824264      7.357424
  C      -7.166322      5.085898      7.325296
  N      -8.339754      5.477601      6.872178
  C      -9.153681      4.497683      6.380361
  C     -10.425028      4.866620      5.876726
  C     -11.276335      3.905596      5.375869
  C     -10.888445      2.545731      5.361803
  C      -9.652254      2.154533      5.835402
  C      -8.750828      3.119960      6.355902
  H      -2.887069      4.229490      7.708699
  H      -4.183784      3.397750      6.842647
  H      -2.927108      5.863683      5.561963
  H      -4.083764      6.027003      6.929037
  H      -8.731340      3.278491      3.587396
  H      -9.006829      5.964645     -0.124583
  H      -7.463120      7.587100     -1.240156
  H      -5.210362      8.027628     -0.280234
  H      -4.467880      6.863464      1.775220
  H      -2.455569     -1.541263      5.198829
  H      -0.784208     -2.010329      4.818005
  H      -2.892037     -2.426471      3.108049
  H      -1.222960     -2.170392      2.517501
  H      -6.716611      2.835414      1.425969
  H      -3.872189      3.824598     -2.000308
  H      -1.609440      3.037210     -2.738502
  H      -0.414830      1.298694     -1.398783
  H      -1.420796      0.399711      0.657620
  H      -4.857579     -0.394789      5.860959
  H      -4.051896     -1.432349      7.056105
  H      -6.109743     -0.687552      7.968172
  H      -4.785360      0.080976      8.904710
  H      -6.501977      5.860433      7.721522
  H     -10.695236      5.922895      5.901280
  H     -12.254738      4.191691      4.986423
  H     -11.573520      1.795926      4.963003
  H      -9.350474      1.110744      5.804580
  N      -2.165011      2.392487      3.413510
  N      -1.847140      3.045304      2.358896
  H      -0.946746      2.931953      1.887799
  H      -2.506063      3.721915      1.964453
99
Coordinates from ORCA-job orca E -6707.081698088929
  N      -2.337839      3.334187      5.875499
  Mo     -2.538546      1.503327      4.995206
  N      -3.136343      0.437412      6.642909
  C      -2.158820      0.147054      7.675941
  C      -1.170671      1.285904      7.857644
  N      -0.490905      1.654716      6.599273
  C      -0.039895      3.056932      6.601930
  C      -1.033978      3.919689      5.774430
  C       0.505393      0.678722      6.137356
  C       0.182806      0.362556      4.667153
  N      -1.211804      0.038264      4.620813
  H      -0.696477      3.938818      4.725474
  H      -1.012035      4.961608      6.140870
  H       0.976747      3.127046      6.191983
  H      -0.005771      3.424194      7.639892
  H       0.808650     -0.468128      4.296182
  H       0.401084      1.252090      4.046439
  H       0.391459     -0.249036      6.715161
  H       1.529432      1.057592      6.286742
  H      -2.638848     -0.022318      8.658696
  H      -1.618658     -0.797081      7.436585
  H      -1.722527      2.172150      8.196121
  H      -0.424279      1.025734      8.632459
  C      -3.304381      4.008788      6.705008
  C      -3.765166      5.362046      6.143680
  O      -4.911832      5.217620      5.266349
  C      -4.718909      5.211620      3.939829
  O      -3.644221      5.347036      3.373327
  C      -6.033501      5.021372      3.225116
  N      -6.890715      4.179365      3.787617
  C      -8.059319      3.967733      3.132748
  N      -8.472010      4.548944      2.020422
  C      -7.610102      5.437478      1.443641
  C      -7.999028      6.089794      0.248486
  C      -7.140499      6.977694     -0.363228
  C      -5.868513      7.248600      0.194340
  C      -5.459982      6.630556      1.357731
  C      -6.320045      5.710493      2.009488
  C      -1.611236     -1.339456      4.499099
  C      -2.048343     -1.715720      3.060822
  O      -2.413861     -0.587733      2.230126
  C      -3.347023      0.273645      2.687236
  O      -3.840939      0.118700      3.861880
  C      -3.894343      1.181107      1.682665
  N      -5.115052      1.677731      1.984204
  C      -5.654956      2.547817      1.126248
  N      -5.122828      3.044938      0.008891
  C      -3.877810      2.580128     -0.308480
  C      -3.255863      3.084439     -1.478518
  C      -2.016286      2.622251     -1.876582
  C      -1.355969      1.636476     -1.115892
  C      -1.928662      1.138715      0.043563
  C      -3.188783      1.607691      0.499645
  C      -4.336976     -0.365650      6.770008
  C      -5.293689      0.036725      7.895298
  O      -5.856336      1.368303      7.762238
  C      -6.888414      1.482240      6.901869
  O      -7.310539      0.567784      6.213684
  C      -7.470961      2.876344      6.922094
  N      -6.699971      3.827858      7.427969
  C      -7.190397      5.090375      7.424868
  N      -8.366387      5.493162      6.987758
  C      -9.184944      4.525363      6.480621
  C     -10.458474      4.907439      5.992640
  C     -11.313525      3.959478      5.473236
  C     -10.926863      2.600177      5.424833
  C      -9.688683      2.196360      5.883215
  C      -8.783388      3.147784      6.422197
  H      -2.904636      4.213419      7.726254
  H      -4.193494      3.379469      6.855114
  H      -2.959697      5.867279      5.594400
  H      -4.127420      6.008049      6.955172
  H      -8.731094      3.238634      3.596229
  H      -8.982800      5.859323     -0.161844
  H      -7.439457      7.476274     -1.286871
  H      -5.203109      7.953892     -0.306130
  H      -4.476039      6.832084      1.776979
  H      -2.450512     -1.536071      5.179666
  H      -0.783798     -2.011949      4.794226
  H      -2.893740     -2.420882      3.088158
  H      -1.225346     -2.172840      2.496797
  H      -6.664036      2.891150      1.375617
  H      -3.804143      3.833011     -2.052680
  H      -1.551893      3.011271     -2.784835
  H      -0.382726      1.261906     -1.438389
  H      -1.402893      0.382835      0.620338
  H      -4.880138     -0.369693      5.818293
  H      -4.074326     -1.423313      6.996780
  H      -6.120303     -0.687996      7.935277
  H      -4.786654      0.065983      8.868486
  H      -6.522702      5.856117      7.832360
  H     -10.726521      5.963333      6.042693
  H     -12.293037      4.255886      5.094504
  H     -11.614019      1.860659      5.010700
  H      -9.388397      1.153254      5.825358
  N      -2.109509      2.411517      3.406873
  N      -1.758767      3.073833      2.367084
  H      -0.859362      2.932635      1.902006
  H      -2.392592      3.777184      1.978004
99
Coordinates from ORCA-job orca E -6707.086144673891
  N      -2.355205      3.339154      5.884932
  Mo     -2.523440      1.501432      4.999484
  N      -3.113908      0.447698      6.662869
  C      -2.127599      0.175578      7.691095
  C      -1.145962      1.322299      7.849276
  N      -0.476943      1.683504      6.582127
  C      -0.039610      3.090943      6.574025
  C      -1.058684      3.939354      5.763587
  C       0.523891      0.710927      6.120888
  C       0.194651      0.369682      4.657973
  N      -1.196397      0.032765      4.624446
  H      -0.737045      3.961807      4.710022
  H      -1.043460      4.981950      6.128442
  H       0.970703      3.170175      6.150446
  H       0.006848      3.460629      7.610845
  H       0.828529     -0.458986      4.296042
  H       0.400481      1.252523      4.023258
  H       0.423285     -0.209427      6.713064
  H       1.545655      1.100123      6.257027
  H      -2.594407      0.012863      8.681248
  H      -1.582863     -0.767646      7.458009
  H      -1.701156      2.208478      8.181488
  H      -0.391427      1.078457      8.621161
  C      -3.312454      4.000048      6.733604
  C      -3.788182      5.353638      6.183688
  O      -4.932346      5.210724      5.304518
  C      -4.733534      5.216730      3.977314
  O      -3.652960      5.346177      3.420087
  C      -6.047261      5.080594      3.252075
  N      -6.938845      4.261557      3.797514
  C      -8.108459      4.100270      3.132267
  N      -8.493207      4.709779      2.024417
  C      -7.597091      5.575351      1.465423
  C      -7.954516      6.255436      0.276142
  C      -7.061519      7.120596     -0.318893
  C      -5.785613      7.340502      0.250923
  C      -5.406976      6.693864      1.409147
  C      -6.302085      5.795458      2.043686
  C      -1.593171     -1.345950      4.523357
  C      -2.059091     -1.742181      3.097777
  O      -2.449298     -0.630820      2.252420
  C      -3.364847      0.244381      2.707045
  O      -3.813679      0.138014      3.908357
  C      -3.928015      1.141513      1.707570
  N      -5.136881      1.652040      2.038696
  C      -5.696343      2.510490      1.181139
  N      -5.191651      2.989800      0.044334
  C      -3.955505      2.515978     -0.300641
  C      -3.358770      3.005728     -1.488490
  C      -2.129098      2.534605     -1.909504
  C      -1.454728      1.556411     -1.153000
  C      -2.003696      1.071237      0.024181
  C      -3.253659      1.546616      0.498504
  C      -4.306248     -0.364517      6.799275
  C      -5.261129      0.033441      7.927710
  O      -5.838036      1.355990      7.784473
  C      -6.872664      1.446540      6.923716
  O      -7.275871      0.517004      6.243919
  C      -7.467877      2.834073      6.914675
  N      -6.719847      3.799185      7.431502
  C      -7.219136      5.057224      7.395219
  N      -8.383626      5.445185      6.914975
  C      -9.178728      4.464637      6.396406
  C     -10.438232      4.830516      5.861951
  C     -11.268682      3.869436      5.326894
  C     -10.870776      2.512751      5.309560
  C      -9.645756      2.124272      5.814415
  C      -8.765523      3.089232      6.370277
  H      -2.902780      4.204141      7.751086
  H      -4.194760      3.363255      6.892071
  H      -2.987226      5.868951      5.636975
  H      -4.152606      5.991168      7.000706
  H      -8.809682      3.390044      3.580898
  H      -8.942584      6.063878     -0.143617
  H      -7.336302      7.640036     -1.238489
  H      -5.092371      8.028429     -0.235657
  H      -4.419871      6.857058      1.837037
  H      -2.417547     -1.541293      5.222763
  H      -0.759031     -2.015441      4.805819
  H      -2.900490     -2.450308      3.150898
  H      -1.246440     -2.203621      2.522718
  H      -6.698611      2.858268      1.450748
  H      -3.915759      3.751109     -2.058345
  H      -1.683885      2.913187     -2.831583
  H      -0.489458      1.176460     -1.492801
  H      -1.465116      0.322364      0.598174
  H      -4.856293     -0.377169      5.851189
  H      -4.034992     -1.420125      7.026917
  H      -6.078749     -0.700873      7.976067
  H      -4.750186      0.075175      8.898291
  H      -6.571676      5.834346      7.813014
  H     -10.714860      5.884996      5.888683
  H     -12.236835      4.153454      4.911377
  H     -11.537847      1.762561      4.882100
  H      -9.336235      1.082775      5.779918
  N      -2.088348      2.403937      3.415321
  N      -1.739152      3.061184      2.371867
  H      -0.852340      2.894491      1.891699
  H      -2.363004      3.781028      1.997154
99
Coordinates from ORCA-job orca E -6707.090844305295
  N      -2.369835      3.343041      5.891568
  Mo     -2.501690      1.508479      4.987099
  N      -3.113564      0.461786      6.647900
  C      -2.132404      0.192320      7.680812
  C      -1.151850      1.339224      7.835136
  N      -0.478299      1.697396      6.568268
  C      -0.045572      3.108245      6.564319
  C      -1.076166      3.952611      5.767385
  C       0.528682      0.725829      6.115651
  C       0.209664      0.371006      4.654074
  N      -1.179527      0.031744      4.614722
  H      -0.760678      3.984031      4.712556
  H      -1.066943      4.993103      6.138422
  H       0.962611      3.193810      6.136926
  H       0.005699      3.472036      7.603182
  H       0.850469     -0.457062      4.303191
  H       0.415703      1.250498      4.014310
  H       0.429647     -0.189949      6.715383
  H       1.548233      1.119656      6.253420
  H      -2.599280      0.031970      8.671201
  H      -1.587648     -0.751829      7.451892
  H      -1.708786      2.226007      8.161717
  H      -0.398687      1.101394      8.609841
  C      -3.321574      3.990209      6.755028
  C      -3.808338      5.343198      6.212457
  O      -4.946469      5.199722      5.327788
  C      -4.740448      5.212157      4.000165
  O      -3.654987      5.333782      3.450414
  C      -6.050253      5.082533      3.269222
  N      -6.955867      4.280252      3.818383
  C      -8.123040      4.125940      3.148852
  N      -8.493378      4.724618      2.029380
  C      -7.583654      5.573088      1.466107
  C      -7.925292      6.242295      0.266075
  C      -7.019796      7.092088     -0.332516
  C      -5.746852      7.307655      0.245163
  C      -5.383171      6.670840      1.413795
  C      -6.290528      5.787025      2.051500
  C      -1.583458     -1.344037      4.518154
  C      -2.064884     -1.744899      3.097221
  O      -2.461670     -0.641883      2.241769
  C      -3.360858      0.251741      2.688451
  O      -3.779338      0.186880      3.909014
  C      -3.918085      1.149008      1.695261
  N      -5.113874      1.686068      2.041257
  C      -5.670621      2.544256      1.181923
  N      -5.173583      3.006813      0.035242
  C      -3.947533      2.512225     -0.322150
  C      -3.355174      2.989472     -1.516411
  C      -2.134482      2.501116     -1.946750
  C      -1.466012      1.518865     -1.191911
  C      -2.012393      1.043511     -0.008323
  C      -3.253738      1.533658      0.471828
  C      -4.305237     -0.352763      6.772683
  C      -5.261626      0.035857      7.903553
  O      -5.843446      1.355582      7.767356
  C      -6.890542      1.444880      6.920049
  O      -7.301911      0.512231      6.249191
  C      -7.492118      2.828787      6.925427
  N      -6.745670      3.791592      7.449936
  C      -7.247872      5.048107      7.426806
  N      -8.415430      5.437694      6.954000
  C      -9.209669      4.460002      6.429452
  C     -10.472868      4.827443      5.904596
  C     -11.302654      3.869651      5.362659
  C     -10.900403      2.514580      5.328865
  C      -9.672045      2.124438      5.824582
  C      -8.792125      3.085876      6.387277
  H      -2.907167      4.193026      7.770981
  H      -4.198804      3.346960      6.915681
  H      -3.008575      5.866672      5.671485
  H      -4.179477      5.973409      7.032206
  H      -8.836260      3.429921      3.601030
  H      -8.912084      6.055116     -0.158740
  H      -7.282806      7.602796     -1.260454
  H      -5.043487      7.984031     -0.243165
  H      -4.398671      6.831929      1.848446
  H      -2.402662     -1.537175      5.224615
  H      -0.750940     -2.018992      4.792084
  H      -2.907829     -2.450063      3.162360
  H      -1.259150     -2.212616      2.517689
  H      -6.665200      2.906445      1.459857
  H      -3.906073      3.740859     -2.084424
  H      -1.692458      2.871210     -2.873845
  H      -0.507918      1.126358     -1.538055
  H      -1.476511      0.291717      0.564370
  H      -4.854123     -0.357938      5.823676
  H      -4.035165     -1.410650      6.991359
  H      -6.074810     -0.703373      7.948887
  H      -4.749336      0.074498      8.873529
  H      -6.601546      5.823539      7.849659
  H     -10.752382      5.880816      5.943633
  H     -12.273259      4.155178      4.953848
  H     -11.566514      1.766815      4.895612
  H      -9.359758      1.084409      5.777645
  N      -2.028913      2.413974      3.422718
  N      -1.670602      3.065815      2.379665
  H      -0.794299      2.869631      1.891445
  H      -2.274750      3.809479      2.017782
99
Coordinates from ORCA-job orca E -6707.095649243664
  N      -2.386810      3.342958      5.897939
  Mo     -2.477207      1.515659      4.975367
  N      -3.115587      0.477042      6.625724
  C      -2.142926      0.206347      7.666095
  C      -1.162868      1.351799      7.821346
  N      -0.483657      1.708374      6.555419
  C      -0.054866      3.123778      6.559569
  C      -1.094850      3.963317      5.775324
  C       0.532363      0.738907      6.114573
  C       0.228165      0.373681      4.652822
  N      -1.159261      0.033479      4.603600
  H      -0.784303      4.005162      4.719973
  H      -1.094187      5.001068      6.153784
  H       0.951730      3.216918      6.130037
  H      -0.000546      3.478789      7.601474
  H       0.876200     -0.452889      4.312436
  H       0.435542      1.251901      4.011126
  H       0.433758     -0.173114      6.720273
  H       1.548908      1.138164      6.257578
  H      -2.613785      0.046882      8.654561
  H      -1.599869     -0.738906      7.439637
  H      -1.721973      2.238512      8.143071
  H      -0.412106      1.118283      8.599214
  C      -3.336132      3.976942      6.772798
  C      -3.832920      5.328737      6.236673
  O      -4.962128      5.182500      5.344139
  C      -4.745602      5.199442      4.016629
  O      -3.655515      5.319464      3.476053
  C      -6.051539      5.070530      3.280030
  N      -6.967142      4.282699      3.834337
  C      -8.132008      4.129684      3.162109
  N      -8.490864      4.712887      2.030083
  C      -7.571208      5.546442      1.460759
  C      -7.900385      6.200594      0.248875
  C      -6.986495      7.037349     -0.355214
  C      -5.716933      7.255305      0.229050
  C      -5.364959      6.632644      1.408888
  C      -6.280694      5.761249      2.052028
  C      -1.572867     -1.338534      4.506328
  C      -2.067238     -1.739352      3.087900
  O      -2.468315     -0.644160      2.224465
  C      -3.356237      0.267832      2.662198
  O      -3.745953      0.240419      3.900685
  C      -3.903276      1.163595      1.677672
  N      -5.086275      1.732053      2.032981
  C      -5.633879      2.590990      1.169698
  N      -5.139988      3.035618      0.014554
  C      -3.924371      2.516847     -0.349234
  C      -3.331693      2.981512     -1.547832
  C      -2.119804      2.474864     -1.984392
  C      -1.461986      1.486470     -1.230026
  C      -2.011151      1.021014     -0.042479
  C      -3.243464      1.527303      0.441630
  C      -4.308348     -0.339024      6.735217
  C      -5.265886      0.040370      7.868850
  O      -5.851131      1.358495      7.745482
  C      -6.912106      1.451022      6.913580
  O      -7.332969      0.519798      6.247019
  C      -7.518770      2.832215      6.943247
  N      -6.771371      3.788458      7.478375
  C      -7.275681      5.043642      7.479250
  N      -8.448175      5.438487      7.021863
  C      -9.244142      4.467485      6.488207
  C     -10.513318      4.840108      5.981122
  C     -11.345311      3.889602      5.430095
  C     -10.939580      2.536413      5.368986
  C      -9.705887      2.141164      5.847180
  C      -8.823263      3.095142      6.418765
  H      -2.920097      4.179100      7.788299
  H      -4.208814      3.327176      6.931279
  H      -3.033125      5.861085      5.704120
  H      -4.213633      5.950276      7.058841
  H      -8.853499      3.445412      3.618861
  H      -8.885292      6.012776     -0.180181
  H      -7.240514      7.536022     -1.292218
  H      -5.006541      7.921825     -0.262738
  H      -4.383559      6.796229      1.849487
  H      -2.389029     -1.530344      5.216899
  H      -0.743157     -2.020167      4.771810
  H      -2.911888     -2.441665      3.163453
  H      -1.266724     -2.212461      2.505541
  H      -6.620494      2.970289      1.451734
  H      -3.873548      3.740285     -2.114947
  H      -1.677486      2.836563     -2.914746
  H      -0.510997      1.079539     -1.579489
  H      -1.481877      0.263781      0.529590
  H      -4.854432     -0.333935      5.784532
  H      -4.040354     -1.399164      6.944087
  H      -6.075704     -0.702628      7.908997
  H      -4.751216      0.071964      8.837900
  H      -6.627898      5.813925      7.909693
  H     -10.795238      5.891920      6.040714
  H     -12.320169      4.179515      5.034595
  H     -11.607194      1.794320      4.928283
  H      -9.391390      1.103088      5.779737
  N      -1.958438      2.425017      3.438506
  N      -1.602084      3.065542      2.389183
  H      -0.738551      2.841432      1.890485
  H      -2.186678      3.832161      2.041496
99
Coordinates from ORCA-job orca E -6707.099954876333
  N      -2.402867      3.341572      5.903182
  Mo     -2.450406      1.520766      4.970769
  N      -3.109628      0.494418      6.611148
  C      -2.142593      0.226732      7.658568
  C      -1.163620      1.372590      7.810377
  N      -0.483979      1.725446      6.541526
  C      -0.061754      3.146618      6.549842
  C      -1.114695      3.978545      5.780620
  C       0.543185      0.758920      6.115063
  C       0.251001      0.377791      4.654999
  N      -1.134922      0.036095      4.599555
  H      -0.812858      4.032245      4.724009
  H      -1.125508      5.013234      6.166972
  H       0.941121      3.248955      6.113825
  H      -0.000784      3.492805      7.594435
  H       0.905329     -0.448314      4.326291
  H       0.457802      1.252741      4.008038
  H       0.447937     -0.147241      6.730183
  H       1.556064      1.166866      6.260338
  H      -2.616372      0.070280      8.646017
  H      -1.600729     -0.719607      7.435266
  H      -1.725425      2.259104      8.126905
  H      -0.412484      1.146129      8.589732
  C      -3.350190      3.959046      6.791990
  C      -3.858610      5.311962      6.270954
  O      -4.977364      5.167935      5.367876
  C      -4.746182      5.200336      4.042041
  O      -3.650474      5.322341      3.514801
  C      -6.047099      5.078511      3.294868
  N      -6.975143      4.304648      3.847392
  C      -8.137546      4.160851      3.169845
  N      -8.481587      4.737663      2.029760
  C      -7.548571      5.556719      1.461409
  C      -7.861391      6.204713      0.241710
  C      -6.935044      7.028024     -0.361325
  C      -5.668049      7.238794      0.231599
  C      -5.331504      6.621658      1.418591
  C      -6.260531      5.763641      2.060936
  C      -1.557795     -1.332577      4.505755
  C      -2.068731     -1.736266      3.092249
  O      -2.478283     -0.653290      2.219561
  C      -3.360990      0.274453      2.646888
  O      -3.721840      0.280563      3.900433
  C      -3.904452      1.163112      1.669353
  N      -5.075664      1.759000      2.034993
  C      -5.621938      2.612253      1.167086
  N      -5.138608      3.039238      0.000763
  C      -3.932524      2.501517     -0.370439
  C      -3.347177      2.953470     -1.577205
  C      -2.144180      2.433667     -2.024021
  C      -1.489748      1.443317     -1.270706
  C      -2.034792      0.988160     -0.076370
  C      -3.256921      1.506197      0.417175
  C      -4.300999     -0.326928      6.710301
  C      -5.262017      0.043900      7.844007
  O      -5.854659      1.358799      7.726976
  C      -6.924694      1.448397      6.904898
  O      -7.349190      0.517109      6.242108
  C      -7.539154      2.826878      6.950132
  N      -6.798247      3.778963      7.499497
  C      -7.308542      5.031421      7.517956
  N      -8.482900      5.426679      7.065571
  C      -9.272768      4.459156      6.517744
  C     -10.544595      4.831802      6.016595
  C     -11.370900      3.884997      5.451742
  C     -10.956985      2.535031      5.369623
  C      -9.721169      2.139827      5.841541
  C      -8.844070      3.090329      6.427695
  H      -2.931081      4.157728      7.806999
  H      -4.216859      3.300550      6.945844
  H      -3.059493      5.859182      5.752401
  H      -4.250317      5.917067      7.100263
  H      -8.869966      3.487870      3.625948
  H      -8.844653      6.023139     -0.193845
  H      -7.177016      7.521441     -1.304292
  H      -4.947151      7.894631     -0.259252
  H      -4.352241      6.778644      1.866296
  H      -2.368310     -1.521989      5.223650
  H      -0.729030     -2.018860      4.762024
  H      -2.912771     -2.438077      3.183364
  H      -1.273252     -2.214777      2.507252
  H      -6.602127      3.003240      1.454465
  H      -3.886552      3.715399     -2.142633
  H      -1.707456      2.786763     -2.960347
  H      -0.545976      1.024831     -1.626184
  H      -1.507315      0.228118      0.494173
  H      -4.843314     -0.316121      5.757549
  H      -4.031097     -1.387402      6.913207
  H      -6.066539     -0.704991      7.880486
  H      -4.746677      0.074158      8.812819
  H      -6.665277      5.798855      7.960286
  H     -10.832793      5.880892      6.092046
  H     -12.347500      4.175138      5.060753
  H     -11.620124      1.795858      4.917443
  H      -9.400429      1.104832      5.758629
  N      -1.895644      2.427103      3.457971
  N      -1.559819      3.050357      2.391094
  H      -0.715616      2.798628      1.873466
  H      -2.128313      3.836387      2.059482
99
Coordinates from ORCA-job orca E -6707.103739817408
  N      -2.413404      3.345029      5.906995
  Mo     -2.422294      1.526559      4.970651
  N      -3.098297      0.513688      6.608560
  C      -2.131348      0.254430      7.659487
  C      -1.152341      1.402578      7.799973
  N      -0.477739      1.748697      6.524210
  C      -0.062558      3.174379      6.530652
  C      -1.132410      4.001529      5.781185
  C       0.559032      0.783291      6.113172
  C       0.273509      0.377700      4.658038
  N      -1.111984      0.036138      4.601647
  H      -0.843785      4.068644      4.722067
  H      -1.153097      5.032227      6.177380
  H       0.933649      3.284052      6.081524
  H       0.012183      3.513095      7.576833
  H       0.931020     -0.451714      4.344258
  H       0.480569      1.244337      3.999623
  H       0.468495     -0.113657      6.742462
  H       1.568414      1.201007      6.256000
  H      -2.603951      0.105141      8.648626
  H      -1.589718     -0.693458      7.441512
  H      -1.714826      2.290028      8.111928
  H      -0.397377      1.184525      8.577905
  C      -3.357386      3.940796      6.814489
  C      -3.883675      5.293775      6.313398
  O      -4.994533      5.150296      5.401150
  C      -4.751728      5.202532      4.077813
  O      -3.652213      5.335749      3.562774
  C      -6.048181      5.100938      3.317655
  N      -6.993179      4.341090      3.859704
  C      -8.153125      4.219853      3.173390
  N      -8.477625      4.804720      2.032008
  C      -7.526055      5.608507      1.473344
  C      -7.817188      6.263540      0.251957
  C      -6.872091      7.072127     -0.341254
  C      -5.606837      7.260808      0.263138
  C      -5.290980      6.636165      1.451619
  C      -6.239926      5.792813      2.084195
  C      -1.544773     -1.329191      4.517029
  C      -2.077568     -1.737587      3.111302
  O      -2.497709     -0.667291      2.229142
  C      -3.373983      0.271943      2.646313
  O      -3.707658      0.307849      3.909072
  C      -3.920281      1.155002      1.668830
  N      -5.076023      1.775314      2.049253
  C      -5.628725      2.620227      1.178063
  N      -5.163788      3.027077     -0.002730
  C      -3.969220      2.471468     -0.386401
  C      -3.397261      2.905937     -1.605460
  C      -2.204970      2.371634     -2.064128
  C      -1.549581      1.382702     -1.310117
  C      -2.084242      0.942723     -0.105306
  C      -3.294142      1.475101      0.399053
  C      -4.285072     -0.315152      6.706532
  C      -5.248258      0.045880      7.840860
  O      -5.850725      1.356430      7.721843
  C      -6.925582      1.434460      6.905841
  O      -7.345672      0.498862      6.247271
  C      -7.549415      2.810531      6.948035
  N      -6.823642      3.764552      7.512514
  C      -7.343971      5.013285      7.532137
  N      -8.515284      5.401759      7.067274
  C      -9.289724      4.431746      6.502947
  C     -10.558503      4.797508      5.988678
  C     -11.369579      3.848038      5.407326
  C     -10.943102      2.501984      5.320584
  C      -9.710414      2.113574      5.805164
  C      -8.848755      3.067140      6.409200
  H      -2.931352      4.135396      7.827575
  H      -4.214407      3.269902      6.966982
  H      -3.089444      5.861588      5.809655
  H      -4.286757      5.878004      7.151982
  H      -8.900902      3.558834      3.621829
  H      -8.799375      6.099121     -0.192636
  H      -7.097428      7.570680     -1.285579
  H      -4.870670      7.904930     -0.220381
  H      -4.312977      6.774528      1.908213
  H      -2.346217     -1.513536      5.246793
  H      -0.716738     -2.020396      4.762679
  H      -2.920084     -2.438906      3.220935
  H      -1.289566     -2.223093      2.521833
  H      -6.600651      3.023807      1.475836
  H      -3.937392      3.667878     -2.170099
  H      -1.778167      2.712189     -3.009534
  H      -0.614485      0.951768     -1.673337
  H      -1.556582      0.182241      0.465037
  H      -4.826706     -0.302556      5.753395
  H      -4.009430     -1.375057      6.904820
  H      -6.046316     -0.709974      7.877528
  H      -4.733222      0.080747      8.809671
  H      -6.713226      5.782819      7.988194
  H     -10.856378      5.843568      6.067898
  H     -12.343646      4.132736      5.006271
  H     -11.594229      1.760743      4.854662
  H      -9.379882      1.081876      5.719338
  N      -1.847306      2.421952      3.468778
  N      -1.532721      3.030710      2.383735
  H      -0.713869      2.748352      1.842648
  H      -2.083985      3.834991      2.068456
99
Coordinates from ORCA-job orca E -6707.107236936562
  N      -2.420942      3.350386      5.908102
  Mo     -2.391766      1.535306      4.972043
  N      -3.090882      0.531726      6.602440
  C      -2.124372      0.277417      7.657031
  C      -1.144599      1.426812      7.790843
  N      -0.475334      1.768356      6.508246
  C      -0.063751      3.197914      6.514645
  C      -1.147321      4.026324      5.785339
  C       0.571853      0.802673      6.116450
  C       0.295388      0.372400      4.666490
  N      -1.091203      0.035805      4.605705
  H      -0.871292      4.109501      4.724213
  H      -1.176392      5.051118      6.195145
  H       0.924922      3.312621      6.050663
  H       0.027316      3.526703      7.562713
  H       0.953085     -0.463046      4.369815
  H       0.507688      1.229305      3.996606
  H       0.482945     -0.084230      6.760060
  H       1.577448      1.229581      6.259486
  H      -2.597809      0.134242      8.646631
  H      -1.583356     -0.671723      7.442627
  H      -1.706629      2.314585      8.101501
  H      -0.385878      1.213289      8.566105
  C      -3.365178      3.922023      6.832927
  C      -3.908252      5.275425      6.354966
  O      -5.009932      5.134699      5.430802
  C      -4.754635      5.212568      4.111716
  O      -3.651751      5.359936      3.609574
  C      -6.045779      5.120505      3.336465
  N      -7.001483      4.369597      3.869504
  C      -8.158373      4.260814      3.174606
  N      -8.467003      4.848840      2.031386
  C      -7.502843      5.642131      1.480178
  C      -7.777284      6.297926      0.255192
  C      -6.819456      7.095969     -0.330833
  C      -5.557306      7.273199      0.284016
  C      -5.257334      6.647626      1.475781
  C      -6.220069      5.814431      2.101528
  C      -1.537769     -1.325065      4.525757
  C      -2.087195     -1.731610      3.124516
  O      -2.510603     -0.669799      2.235501
  C      -3.383932      0.277795      2.642829
  O      -3.703519      0.333185      3.905995
  C      -3.930010      1.155664      1.660389
  N      -5.071999      1.796423      2.049003
  C      -5.630190      2.631874      1.172780
  N      -5.180720      3.018001     -0.021030
  C      -3.995896      2.446724     -0.411268
  C      -3.433939      2.862611     -1.641471
  C      -2.249939      2.315850     -2.105914
  C      -1.593600      1.330803     -1.347002
  C      -2.120665      0.907376     -0.133436
  C      -3.321258      1.452883      0.376721
  C      -4.273880     -0.303195      6.700238
  C      -5.237381      0.046617      7.836769
  O      -5.848133      1.354773      7.718734
  C      -6.928056      1.424030      6.910759
  O      -7.347286      0.486234      6.255302
  C      -7.560067      2.798796      6.954403
  N      -6.847700      3.752497      7.534819
  C      -7.377659      4.997785      7.560079
  N      -8.546536      5.381178      7.086623
  C      -9.307376      4.410806      6.504682
  C     -10.573883      4.772215      5.981360
  C     -11.371479      3.822589      5.382405
  C     -10.933229      2.480832      5.285874
  C      -9.702856      2.096924      5.779159
  C      -8.854980      3.050809      6.402284
  H      -2.933816      4.110262      7.844924
  H      -4.211847      3.237661      6.980110
  H      -3.119044      5.866924      5.871047
  H      -4.325487      5.834257      7.203642
  H      -8.916314      3.608024      3.617442
  H      -8.757106      6.142492     -0.197685
  H      -7.031684      7.595022     -1.277878
  H      -4.810900      7.908996     -0.194702
  H      -4.281843      6.775036      1.940492
  H      -2.332839     -1.503889      5.264291
  H      -0.713254     -2.024002      4.761722
  H      -2.929803     -2.431093      3.246677
  H      -1.304650     -2.224099      2.533335
  H      -6.594332      3.048635      1.477499
  H      -3.975043      3.622075     -2.208427
  H      -1.830539      2.643002     -3.059246
  H      -0.665018      0.888823     -1.713358
  H      -1.594334      0.148014      0.440144
  H      -4.815381     -0.285689      5.747143
  H      -3.992626     -1.362984      6.891378
  H      -6.030568     -0.714274      7.873219
  H      -4.722422      0.083901      8.805561
  H      -6.757736      5.767413      8.030354
  H     -10.880692      5.815048      6.068244
  H     -12.343759      4.103617      4.974535
  H     -11.573765      1.739684      4.805412
  H      -9.363151      1.068829      5.686627
  N      -1.799931      2.419374      3.477392
  N      -1.513774      3.017322      2.374174
  H      -0.724342      2.707330      1.806202
  H      -2.049420      3.837235      2.075531
99
Coordinates from ORCA-job orca E -6707.110319029212
  N      -2.427052      3.360617      5.907822
  Mo     -2.363858      1.545308      4.975885
  N      -3.081635      0.547299      6.605882
  C      -2.110754      0.303698      7.660217
  C      -1.131340      1.456347      7.780146
  N      -0.472290      1.791670      6.487775
  C      -0.062713      3.223389      6.489103
  C      -1.162638      4.054595      5.784610
  C       0.583831      0.824888      6.112873
  C       0.311835      0.365134      4.671372
  N      -1.076251      0.032954      4.611253
  H      -0.902073      4.154864      4.720913
  H      -1.196702      5.072416      6.209884
  H       0.915441      3.339765      6.003966
  H       0.051531      3.545731      7.536893
  H       0.967925     -0.478158      4.394079
  H       0.529394      1.208246      3.985442
  H       0.498674     -0.049905      6.773208
  H       1.585397      1.262040      6.251486
  H      -2.580108      0.169227      8.652923
  H      -1.568324     -0.645900      7.451330
  H      -1.691177      2.345086      8.091176
  H      -0.365112      1.248228      8.548905
  C      -3.369250      3.904092      6.853320
  C      -3.932260      5.256668      6.400383
  O      -5.026575      5.117702      5.466007
  C      -4.761260      5.222663      4.151473
  O      -3.655304      5.390628      3.662619
  C      -6.045893      5.147500      3.360078
  N      -7.014460      4.403227      3.878583
  C      -8.167368      4.313494      3.173104
  N      -8.458492      4.913961      2.032451
  C      -7.480210      5.698820      1.494325
  C      -7.736703      6.364158      0.270600
  C      -6.764512      7.153809     -0.302851
  C      -5.505806      7.312469      0.323696
  C      -5.223063      6.677199      1.514602
  C      -6.200833      5.851966      2.127988
  C      -1.534932     -1.324157      4.538441
  C      -2.101866     -1.730029      3.143084
  O      -2.528482     -0.672972      2.249751
  C      -3.395846      0.279402      2.652031
  O      -3.700086      0.356328      3.914438
  C      -3.946421      1.151628      1.660209
  N      -5.072265      1.809952      2.060465
  C      -5.641183      2.635076      1.180497
  N      -5.211639      2.996312     -0.028457
  C      -4.037248      2.410439     -0.429639
  C      -3.489288      2.802868     -1.673704
  C      -2.313931      2.242443     -2.143704
  C      -1.652661      1.265591     -1.377777
  C      -2.167218      0.863000     -0.152159
  C      -3.358781      1.423797      0.362887
  C      -4.258361     -0.294528      6.708390
  C      -5.221278      0.045487      7.846990
  O      -5.840238      1.350763      7.723680
  C      -6.921862      1.407894      6.919508
  O      -7.335576      0.463728      6.268951
  C      -7.563027      2.779923      6.952989
  N      -6.868642      3.737198      7.549585
  C      -7.410028      4.978312      7.570378
  N      -8.573399      5.353274      7.078323
  C      -9.315555      4.379423      6.477989
  C     -10.575602      4.733532      5.934698
  C     -11.354650      3.780677      5.316540
  C     -10.902813      2.443608      5.219761
  C      -9.678184      2.067039      5.732822
  C      -8.849700      3.023944      6.377093
  H      -2.929658      4.084602      7.863033
  H      -4.203468      3.204537      6.997977
  H      -3.151265      5.873540      5.935265
  H      -4.363099      5.789040      7.258905
  H      -8.936786      3.667205      3.605480
  H      -8.714266      6.222566     -0.191518
  H      -6.962241      7.660315     -1.249072
  H      -4.748021      7.941683     -0.145797
  H      -4.250046      6.789144      1.987971
  H      -2.322220     -1.496988      5.287013
  H      -0.713861     -2.030505      4.764573
  H      -2.945058     -2.426705      3.276382
  H      -1.326733     -2.229665      2.548111
  H      -6.595905      3.066028      1.495261
  H      -4.033566      3.556733     -2.245016
  H      -1.904894      2.552487     -3.107167
  H      -0.730960      0.812842     -1.748267
  H      -1.639980      0.108150      0.426665
  H      -4.802395     -0.275715      5.756525
  H      -3.969515     -1.353544      6.893736
  H      -6.009547     -0.720143      7.885515
  H      -4.707849      0.088886      8.816257
  H      -6.805641      5.750882      8.055477
  H     -10.892380      5.773325      6.022090
  H     -12.322095      4.055614      4.893300
  H     -11.528281      1.700116      4.723317
  H      -9.328046      1.042452      5.640577
  N      -1.767450      2.416584      3.478482
  N      -1.501839      3.011088      2.365693
  H      -0.743859      2.675404      1.770551
  H      -2.023040      3.845500      2.084467
99
Coordinates from ORCA-job orca E -6707.112985357237
  N      -2.434781      3.369133      5.901087
  Mo     -2.334891      1.556329      4.976454
  N      -3.079747      0.559977      6.596467
  C      -2.110390      0.320780      7.654401
  C      -1.131510      1.474290      7.770594
  N      -0.478153      1.806610      6.471692
  C      -0.066039      3.240311      6.472683
  C      -1.175731      4.077200      5.788895
  C       0.589335      0.839201      6.117570
  C       0.328643      0.354863      4.683076
  N      -1.061530      0.030340      4.615494
  H      -0.923840      4.197607      4.725297
  H      -1.215132      5.086199      6.233155
  H       0.902428      3.356110      5.968663
  H       0.069574      3.554780      7.520323
  H       0.982291     -0.496852      4.427263
  H       0.557191      1.184662      3.983962
  H       0.504555     -0.024615      6.792039
  H       1.586136      1.286348      6.257246
  H      -2.581605      0.191916      8.646952
  H      -1.567379     -0.629151      7.449736
  H      -1.689095      2.363163      8.084014
  H      -0.360536      1.266940      8.534210
  C      -3.378754      3.886654      6.861839
  C      -3.957767      5.238540      6.431992
  O      -5.040996      5.102637      5.484183
  C      -4.763990      5.235532      4.174968
  O      -3.655245      5.424622      3.700254
  C      -6.041050      5.159642      3.368870
  N      -7.014381      4.416785      3.879565
  C      -8.163084      4.329533      3.166077
  N      -8.444483      4.930940      2.023968
  C      -7.460334      5.712802      1.492033
  C      -7.707320      6.376326      0.265335
  C      -6.729664      7.162859     -0.303001
  C      -5.475080      7.319783      0.331986
  C      -5.201505      6.686258      1.526056
  C      -6.184992      5.863816      2.134664
  C      -1.533143     -1.322313      4.540960
  C      -2.105564     -1.721540      3.145449
  O      -2.525309     -0.663915      2.250613
  C      -3.392888      0.292834      2.647884
  O      -3.694673      0.384000      3.906106
  C      -3.940231      1.158151      1.647832
  N      -5.055259      1.832709      2.049669
  C      -5.627610      2.648813      1.163382
  N      -5.209029      2.986341     -0.056459
  C      -4.042119      2.387232     -0.459400
  C      -3.501706      2.758947     -1.713485
  C      -2.331585      2.188192     -2.183373
  C      -1.667740      1.220045     -1.408450
  C      -2.175642      0.835821     -0.174279
  C      -3.362402      1.408005      0.341282
  C      -4.253402     -0.285677      6.696607
  C      -5.215648      0.045277      7.837762
  O      -5.841190      1.349364      7.718832
  C      -6.929981      1.402601      6.925224
  O      -7.347786      0.457171      6.278909
  C      -7.577273      2.772586      6.967109
  N      -6.891135      3.725302      7.579693
  C      -7.440050      4.963150      7.615648
  N      -8.603872      5.337757      7.125265
  C      -9.337335      4.368374      6.506886
  C     -10.598042      4.723295      5.965822
  C     -11.369207      3.775526      5.330104
  C     -10.907482      2.443594      5.211988
  C      -9.682012      2.066541      5.722850
  C      -8.862246      3.017634      6.386712
  H      -2.934803      4.058375      7.870860
  H      -4.202378      3.173795      6.998775
  H      -3.183006      5.879427      5.989495
  H      -4.405842      5.743508      7.298187
  H      -8.936621      3.685435      3.593804
  H      -8.681969      6.235726     -0.203212
  H      -6.919511      7.668142     -1.251512
  H      -4.712944      7.946613     -0.133748
  H      -4.231710      6.796166      2.006101
  H      -2.319250     -1.490789      5.291809
  H      -0.717734     -2.036932      4.761778
  H      -2.952066     -2.414170      3.280177
  H      -1.333250     -2.226771      2.551363
  H      -6.574102      3.094567      1.481634
  H      -4.047528      3.506954     -2.291102
  H      -1.928205      2.483338     -3.153939
  H      -0.749860      0.759287     -1.778628
  H      -1.649211      0.085759      0.411303
  H      -4.797840     -0.261130      5.745035
  H      -3.960162     -1.344755      6.874025
  H      -6.001043     -0.723058      7.875982
  H      -4.702016      0.089472      8.806885
  H      -6.841857      5.731938      8.114485
  H     -10.921662      5.759513      6.069272
  H     -12.337402      4.050757      4.908741
  H     -11.526299      1.704464      4.700879
  H      -9.324845      1.045964      5.615328
  N      -1.725948      2.419602      3.481249
  N      -1.484063      3.013337      2.362318
  H      -0.757342      2.657897      1.740264
  H      -1.993831      3.860191      2.098557
99
Coordinates from ORCA-job orca E -6707.115285317922
  N      -2.446542      3.381328      5.895431
  Mo     -2.314556      1.567211      4.979280
  N      -3.075537      0.569835      6.597780
  C      -2.102990      0.340672      7.655031
  C      -1.126075      1.497500      7.760027
  N      -0.483573      1.825488      6.451889
  C      -0.069504      3.260120      6.446877
  C      -1.193094      4.101163      5.788757
  C       0.593944      0.858741      6.111649
  C       0.337339      0.347471      4.686938
  N      -1.054631      0.027176      4.619319
  H      -0.951921      4.242512      4.725275
  H      -1.235575      5.100913      6.252761
  H       0.885272      3.373064      5.917101
  H       0.094688      3.571071      7.491464
  H       0.988544     -0.512359      4.452759
  H       0.573761      1.160865      3.970791
  H       0.515369      0.006757      6.801512
  H       1.585821      1.317884      6.245269
  H      -2.570479      0.218874      8.650366
  H      -1.557267     -0.608979      7.456219
  H      -1.680234      2.386999      8.077101
  H      -0.346457      1.292848      8.515002
  C      -3.386206      3.872879      6.875257
  C      -3.981381      5.224510      6.469995
  O      -5.055707      5.092419      5.511586
  C      -4.769489      5.252539      4.207271
  O      -3.657496      5.460243      3.746956
  C      -6.037866      5.183603      3.387453
  N      -7.020438      4.444765      3.887694
  C      -8.163785      4.366735      3.164781
  N      -8.432205      4.972803      2.021973
  C      -7.438477      5.749093      1.499377
  C      -7.672309      6.415700      0.271935
  C      -6.685887      7.197863     -0.287788
  C      -5.436066      7.346735      0.357722
  C      -5.175313      6.709900      1.553211
  C      -6.167430      5.891350      2.153118
  C      -1.533954     -1.322407      4.546240
  C      -2.115927     -1.718321      3.153541
  O      -2.533043     -0.657899      2.259654
  C      -3.397297      0.300982      2.656548
  O      -3.689368      0.409534      3.914063
  C      -3.947483      1.160315      1.649150
  N      -5.050125      1.850384      2.056759
  C      -5.629618      2.657313      1.165752
  N      -5.226615      2.968602     -0.066160
  C      -4.068952      2.355926     -0.475905
  C      -3.542246      2.703251     -1.742584
  C      -2.379194      2.120275     -2.215323
  C      -1.709054      1.163783     -1.431682
  C      -2.204041      0.801206     -0.185500
  C      -3.384265      1.386399      0.332409
  C      -4.243445     -0.281512      6.699284
  C      -5.203209      0.039803      7.844677
  O      -5.836218      1.340827      7.726717
  C      -6.930580      1.386216      6.940717
  O      -7.347439      0.435403      6.300897
  C      -7.582305      2.753589      6.976243
  N      -6.909889      3.706287      7.605035
  C      -7.465433      4.941277      7.639855
  N      -8.623537      5.313348      7.134089
  C      -9.342016      4.344697      6.496977
  C     -10.595294      4.697826      5.938258
  C     -11.351403      3.751214      5.282595
  C     -10.880458      2.422959      5.161173
  C      -9.661679      2.047688      5.689552
  C      -8.858155      2.997019      6.375185
  H      -2.933468      4.034469      7.881633
  H      -4.199971      3.148433      7.008979
  H      -3.214059      5.887660      6.047666
  H      -4.443662      5.703171      7.343459
  H      -8.944683      3.726471      3.584914
  H      -8.644089      6.280974     -0.204216
  H      -6.865115      7.705824     -1.236941
  H      -4.666947      7.970519     -0.100680
  H      -4.209265      6.814885      2.041501
  H      -2.316059     -1.487434      5.302073
  H      -0.721911     -2.042832      4.760750
  H      -2.965353     -2.406701      3.291162
  H      -1.349621     -2.228322      2.555776
  H      -6.566884      3.117694      1.490547
  H      -4.091682      3.443648     -2.326601
  H      -1.985807      2.397527     -3.195263
  H      -0.796491      0.694726     -1.804672
  H      -1.674867      0.058437      0.406529
  H      -4.792074     -0.254532      5.750001
  H      -3.943975     -1.340183      6.869031
  H      -5.984529     -0.732477      7.884572
  H      -4.688290      0.087248      8.812893
  H      -6.879172      5.709682      8.153277
  H     -10.925312      5.731751      6.044420
  H     -12.314093      4.024828      4.847746
  H     -11.486534      1.684922      4.633428
  H      -9.297537      1.029793      5.579718
  N      -1.703431      2.424261      3.480430
  N      -1.473228      3.022747      2.362633
  H      -0.779447      2.647862      1.714367
  H      -1.971163      3.881980      2.116883
99
Coordinates from ORCA-job orca E -6707.117220680741
  N      -2.461807      3.389749      5.884068
  Mo     -2.295530      1.575149      4.979214
  N      -3.073146      0.576801      6.590982
  C      -2.101947      0.354294      7.650984
  C      -1.127269      1.513747      7.751182
  N      -0.492678      1.839217      6.436084
  C      -0.076948      3.275477      6.425818
  C      -1.211656      4.119958      5.789598
  C       0.597232      0.875528      6.110886
  C       0.348200      0.340444      4.694757
  N      -1.045234      0.024034      4.623303
  H      -0.976433      4.284243      4.728368
  H      -1.259801      5.109289      6.274588
  H       0.863565      3.385011      5.870810
  H       0.114856      3.583203      7.466611
  H       0.997606     -0.526647      4.483207
  H       0.594215      1.137873      3.963541
  H       0.525688      0.034500      6.814630
  H       1.583189      1.348196      6.240075
  H      -2.570288      0.237822      8.646708
  H      -1.553842     -0.595253      7.458325
  H      -1.678970      2.403127      8.071963
  H      -0.341217      1.310327      8.499383
  C      -3.398223      3.858815      6.879693
  C      -4.008317      5.209542      6.497148
  O      -5.071402      5.080328      5.526819
  C      -4.774013      5.267401      4.228285
  O      -3.660142      5.500904      3.785094
  C      -6.032878      5.197786      3.394855
  N      -7.020204      4.458068      3.884664
  C      -8.157496      4.382323      3.152638
  N      -8.416696      4.990887      2.008827
  C      -7.417566      5.766634      1.495659
  C      -7.641171      6.434577      0.267071
  C      -6.649963      7.216733     -0.284273
  C      -5.405433      7.363963      0.371655
  C      -5.154635      6.725792      1.568656
  C      -6.151647      5.907015      2.160134
  C      -1.529713     -1.322956      4.547585
  C      -2.114022     -1.714173      3.154634
  O      -2.524086     -0.650033      2.261943
  C      -3.390737      0.310229      2.655444
  O      -3.681944      0.430072      3.911024
  C      -3.939737      1.162248      1.642574
  N      -5.035351      1.865463      2.048546
  C      -5.617289      2.662764      1.150693
  N      -5.224340      2.950370     -0.090091
  C      -4.073283      2.326240     -0.499816
  C      -3.557282      2.652065     -1.776654
  C      -2.398704      2.060690     -2.249531
  C      -1.722490      1.117139     -1.455958
  C      -2.207616      0.774182     -0.200154
  C      -3.384185      1.367179      0.318113
  C      -4.238715     -0.277151      6.689864
  C      -5.197570      0.038728      7.837600
  O      -5.834892      1.338096      7.722053
  C      -6.937447      1.379903      6.946595
  O      -7.362757      0.424476      6.319291
  C      -7.593518      2.744724      6.989284
  N      -6.928824      3.692697      7.633595
  C      -7.490784      4.924039      7.683186
  N      -8.649447      5.296997      7.178939
  C      -9.359167      4.333884      6.523981
  C     -10.612626      4.688230      5.966468
  C     -11.360561      3.747734      5.292908
  C     -10.880094      2.424942      5.150634
  C      -9.661094      2.048453      5.677753
  C      -8.866719      2.990860      6.383467
  H      -2.938331      4.011889      7.883631
  H      -4.203725      3.124711      7.008802
  H      -3.247641      5.893731      6.096722
  H      -4.486525      5.661168      7.376369
  H      -8.942197      3.742048      3.565454
  H      -8.609299      6.300707     -0.216720
  H      -6.821191      7.725872     -1.234264
  H      -4.632174      7.987991     -0.079460
  H      -4.192818      6.830524      2.065252
  H      -2.311857     -1.486276      5.303803
  H      -0.720677     -2.047520      4.759681
  H      -2.967269     -2.398220      3.290780
  H      -1.350395     -2.227575      2.556242
  H      -6.547325      3.135994      1.477355
  H      -4.110464      3.384064     -2.367721
  H      -2.013049      2.321989     -3.236945
  H      -0.812690      0.642665     -1.828905
  H      -1.674779      0.039837      0.398707
  H      -4.788828     -0.245968      5.741599
  H      -3.937142     -1.336129      6.853341
  H      -5.976574     -0.735775      7.878195
  H      -4.680869      0.087501      8.804780
  H      -6.910797      5.688118      8.210226
  H     -10.949196      5.718352      6.088012
  H     -12.323465      4.022375      4.859173
  H     -11.478999      1.691990      4.607806
  H      -9.290448      1.034750      5.553022
  N      -1.677372      2.429412      3.481414
  N      -1.460846      3.033058      2.364685
  H      -0.800479      2.643082      1.690462
  H      -1.950295      3.901991      2.135888
99
Coordinates from ORCA-job orca E -6707.118830196748
  N      -2.480044      3.400336      5.876909
  Mo     -2.286157      1.583489      4.980573
  N      -3.069342      0.583303      6.591252
  C      -2.096101      0.369105      7.650902
  C      -1.123291      1.531821      7.742963
  N      -0.499713      1.854768      6.420167
  C      -0.084270      3.292107      6.400347
  C      -1.233132      4.139595      5.790421
  C       0.600016      0.895285      6.101614
  C       0.351289      0.337870      4.694601
  N      -1.043316      0.023280      4.625496
  H      -1.006107      4.328364      4.731733
  H      -1.285447      5.117668      6.297163
  H       0.838002      3.397068      5.814976
  H       0.140620      3.599063      7.434683
  H       0.998633     -0.535535      4.502704
  H       0.603551      1.119237      3.948104
  H       0.540765      0.064547      6.818467
  H       1.580458      1.381722      6.220265
  H      -2.562019      0.258067      8.648559
  H      -1.545216     -0.580170      7.464270
  H      -1.671653      2.421343      8.068445
  H      -0.329196      1.329850      8.482674
  C      -3.407403      3.848550      6.891687
  C      -4.029845      5.200493      6.535033
  O      -5.084182      5.078872      5.554812
  C      -4.777693      5.294147      4.262240
  O      -3.660378      5.540998      3.834915
  C      -6.026513      5.223075      3.414975
  N      -7.021683      4.488367      3.897617
  C      -8.152329      4.414586      3.156114
  N      -8.399116      5.019081      2.007104
  C      -7.392045      5.788375      1.500026
  C      -7.602554      6.451680      0.266601
  C      -6.604710      7.229413     -0.278947
  C      -5.366508      7.376974      0.388665
  C      -5.128351      6.743240      1.590718
  C      -6.131878      5.927917      2.176211
  C      -1.530262     -1.322028      4.548346
  C      -2.121750     -1.709250      3.157328
  O      -2.527871     -0.640387      2.267638
  C      -3.394453      0.319654      2.660428
  O      -3.680627      0.448839      3.916345
  C      -3.945616      1.167709      1.644798
  N      -5.030934      1.885574      2.053671
  C      -5.615934      2.676475      1.151968
  N      -5.236876      2.940490     -0.098275
  C      -4.095762      2.301685     -0.512824
  C      -3.594447      2.604264     -1.801061
  C      -2.443243      2.001299     -2.277549
  C      -1.760109      1.070045     -1.475764
  C      -2.231587      0.748675     -0.208890
  C      -3.401731      1.351820      0.312274
  C      -4.230879     -0.274936      6.691107
  C      -5.186086      0.031820      7.844649
  O      -5.832366      1.326498      7.732174
  C      -6.945956      1.358545      6.971331
  O      -7.371761      0.397917      6.352189
  C      -7.601069      2.723365      7.004107
  N      -6.947902      3.669652      7.663388
  C      -7.511954      4.899742      7.710135
  N      -8.663123      5.274065      7.189195
  C      -9.359889      4.313833      6.516639
  C     -10.604172      4.669802      5.939870
  C     -11.338941      3.732607      5.247546
  C     -10.853484      2.411673      5.104450
  C      -9.643411      2.033334      5.650510
  C      -8.863196      2.972039      6.376785
  H      -2.936550      3.991107      7.891566
  H      -4.206911      3.107824      7.019287
  H      -3.275174      5.903658      6.156534
  H      -4.520333      5.624842      7.420954
  H      -8.943469      3.779117      3.563909
  H      -8.566648      6.317928     -0.225236
  H      -6.765992      7.735199     -1.232458
  H      -4.587785      7.998401     -0.056662
  H      -4.171972      6.850805      2.096796
  H      -2.310092     -1.484815      5.307313
  H      -0.722618     -2.049369      4.756192
  H      -2.978870     -2.388175      3.294299
  H      -1.363685     -2.225907      2.554668
  H      -6.536132      3.165109      1.484274
  H      -4.151483      3.328941     -2.397462
  H      -2.068229      2.245037     -3.273524
  H      -0.855223      0.588124     -1.851172
  H      -1.693628      0.022500      0.395153
  H      -4.785998     -0.240893      5.745772
  H      -3.925016     -1.333820      6.847036
  H      -5.959468     -0.748062      7.888394
  H      -4.664456      0.083674      8.808996
  H      -6.941766      5.662077      8.250319
  H     -10.944162      5.698733      6.062082
  H     -12.294800      4.008618      4.799304
  H     -11.441144      1.681426      4.545879
  H      -9.269272      1.020945      5.525725
  N      -1.667639      2.437560      3.482483
  N      -1.455967      3.048601      2.369162
  H      -0.832309      2.642408      1.669580
  H      -1.935682      3.926941      2.156636
99
Coordinates from ORCA-job orca E -6707.120168625276
  N      -2.501326      3.404841      5.864873
  Mo     -2.278137      1.585710      4.977673
  N      -3.063573      0.586437      6.587420
  C      -2.090944      0.382007      7.649497
  C      -1.120883      1.548817      7.734747
  N      -0.505790      1.869271      6.406377
  C      -0.095276      3.308447      6.373928
  C      -1.258940      4.155408      5.787844
  C       0.605053      0.916964      6.094536
  C       0.358848      0.337936      4.696022
  N      -1.035666      0.021724      4.628365
  H      -1.038741      4.369103      4.732742
  H      -1.318747      5.121702      6.315566
  H       0.807565      3.409689      5.758577
  H       0.161403      3.617683      7.400132
  H       1.006133     -0.539798      4.523780
  H       0.616116      1.104490      3.935947
  H       0.560163      0.096260      6.823766
  H       1.578864      1.418882      6.202219
  H      -2.557515      0.277413      8.647615
  H      -1.536594     -0.566960      7.471494
  H      -1.667952      2.438084      8.062504
  H      -0.320948      1.349825      8.468670
  C      -3.420732      3.832259      6.897033
  C      -4.060560      5.181563      6.563219
  O      -5.104130      5.061143      5.571999
  C      -4.786503      5.303722      4.286585
  O      -3.669958      5.587005      3.880636
  C      -6.024757      5.237482      3.424069
  N      -7.025671      4.499222      3.889340
  C      -8.148097      4.432301      3.135614
  N      -8.382719      5.046346      1.988790
  C      -7.369109      5.817442      1.498161
  C      -7.565252      6.488976      0.266694
  C      -6.560600      7.268395     -0.263406
  C      -5.329265      7.409325      0.418406
  C      -5.104950      6.767566      1.618844
  C      -6.115977      5.950414      2.188869
  C      -1.520890     -1.323605      4.550465
  C      -2.115423     -1.710253      3.160637
  O      -2.516729     -0.639181      2.271274
  C      -3.387702      0.318625      2.659010
  O      -3.675405      0.454006      3.914687
  C      -3.939727      1.160833      1.639559
  N      -5.018388      1.889696      2.047353
  C      -5.605644      2.672419      1.140344
  N      -5.237883      2.914906     -0.117608
  C      -4.103736      2.264612     -0.533065
  C      -3.615459      2.544882     -1.831302
  C      -2.469239      1.933415     -2.308971
  C      -1.778252      1.016664     -1.497472
  C      -2.237881      0.716306     -0.221054
  C      -3.404138      1.325981      0.300688
  C      -4.224229     -0.272252      6.688972
  C      -5.178914      0.036531      7.842674
  O      -5.825367      1.330151      7.723750
  C      -6.945863      1.356781      6.972064
  O      -7.385724      0.386833      6.377856
  C      -7.607069      2.718392      7.010843
  N      -6.964090      3.661654      7.684849
  C      -7.537443      4.886400      7.745093
  N      -8.690308      5.258375      7.225561
  C      -9.375412      4.302330      6.535775
  C     -10.620642      4.655851      5.959241
  C     -11.343846      3.723148      5.249127
  C     -10.844867      2.409480      5.085985
  C      -9.633994      2.033404      5.631701
  C      -8.866524      2.966887      6.378224
  H      -2.940185      3.968847      7.892614
  H      -4.212221      3.082980      7.024269
  H      -3.314751      5.905471      6.206828
  H      -4.565778      5.577318      7.454047
  H      -8.944564      3.795023      3.529836
  H      -8.524260      6.359563     -0.236108
  H      -6.710933      7.780309     -1.215414
  H      -4.544493      8.032135     -0.014194
  H      -4.153816      6.870829      2.135719
  H      -2.299930     -1.487109      5.310304
  H      -0.712768     -2.050571      4.757489
  H      -2.975810     -2.384842      3.298029
  H      -1.360462     -2.230058      2.556779
  H      -6.518329      3.173192      1.475149
  H      -4.177370      3.260467     -2.434005
  H      -2.103773      2.160102     -3.312471
  H      -0.876140      0.529516     -1.872798
  H      -1.693470      0.000162      0.388986
  H      -4.780742     -0.237717      5.744437
  H      -3.918967     -1.331423      6.844046
  H      -5.951039     -0.744246      7.890093
  H      -4.655556      0.092898      8.805808
  H      -6.976091      5.645982      8.298318
  H     -10.970320      5.679715      6.095837
  H     -12.300305      3.997568      4.801209
  H     -11.422627      1.683133      4.512224
  H      -9.250428      1.026395      5.492947
  N      -1.658687      2.439923      3.480474
  N      -1.449372      3.057289      2.369983
  H      -0.862643      2.636108      1.647438
  H      -1.922932      3.941978      2.170087
99
Coordinates from ORCA-job orca E -6707.121331708404
  N      -2.522123      3.411227      5.861510
  Mo     -2.278399      1.590915      4.977861
  N      -3.057313      0.592083      6.588778
  C      -2.081755      0.394080      7.649543
  C      -1.112705      1.563248      7.727783
  N      -0.509539      1.882850      6.393812
  C      -0.104162      3.323017      6.347895
  C      -1.283336      4.171017      5.791367
  C       0.608407      0.937391      6.080493
  C       0.357800      0.341375      4.689648
  N      -1.036862      0.024991      4.628846
  H      -1.073080      4.411598      4.740228
  H      -1.347857      5.124165      6.341485
  H       0.775655      3.420367      5.699561
  H       0.188864      3.634305      7.363791
  H       1.003228     -0.540491      4.531363
  H       0.617594      1.095580      3.918185
  H       0.580108      0.124711      6.819392
  H       1.576951      1.452295      6.173379
  H      -2.546202      0.293801      8.649103
  H      -1.525588     -0.554580      7.475834
  H      -1.656513      2.452221      8.060899
  H      -0.305802      1.364380      8.453887
  C      -3.431058      3.821737      6.911202
  C      -4.080176      5.173160      6.604538
  O      -5.114605      5.065787      5.602600
  C      -4.788012      5.342076      4.325992
  O      -3.669395      5.640838      3.937581
  C      -6.014899      5.269064      3.447451
  N      -7.021836      4.534913      3.906055
  C      -8.136789      4.465491      3.142202
  N      -8.358592      5.071931      1.988691
  C      -7.338355      5.837008      1.503099
  C      -7.520916      6.499453      0.264437
  C      -6.510474      7.274079     -0.260993
  C      -5.286459      7.419585      0.433154
  C      -5.075110      6.786831      1.640672
  C      -6.092274      5.973759      2.206284
  C      -1.522128     -1.319964      4.550365
  C      -2.124810     -1.704242      3.163261
  O      -2.520716     -0.629885      2.275707
  C      -3.394126      0.326312      2.661082
  O      -3.682005      0.463623      3.917456
  C      -3.946892      1.166076      1.641171
  N      -5.015362      1.908835      2.051332
  C      -5.604110      2.687188      1.141768
  N      -5.250343      2.908658     -0.124163
  C      -4.126696      2.243049     -0.544070
  C      -3.654125      2.500408     -1.852839
  C      -2.516290      1.877115     -2.335247
  C      -1.817888      0.972176     -1.516946
  C      -2.263073      0.693545     -0.230479
  C      -3.422292      1.312780      0.295335
  C      -4.215397     -0.269607      6.694850
  C      -5.165579      0.032999      7.854391
  O      -5.823105      1.320398      7.735434
  C      -6.958000      1.332697      7.004677
  O      -7.399219      0.356160      6.422580
  C      -7.616880      2.695865      7.027877
  N      -6.986740      3.637955      7.715570
  C      -7.561320      4.862048      7.768721
  N      -8.705074      5.234903      7.229523
  C      -9.375865      4.281032      6.523289
  C     -10.610424      4.635608      5.924517
  C     -11.318601      3.705434      5.196469
  C     -10.814320      2.393316      5.035867
  C      -9.614051      2.015953      5.603408
  C      -8.862987      2.946465      6.370299
  H      -2.939601      3.948227      7.902286
  H      -4.219029      3.068800      7.037401
  H      -3.339380      5.914099      6.273724
  H      -4.597025      5.539441      7.501329
  H      -8.938912      3.832863      3.532157
  H      -8.474803      6.366774     -0.247164
  H      -6.650576      7.778907     -1.218322
  H      -4.496785      8.039236      0.004961
  H      -4.130064      6.895264      2.167294
  H      -2.298218     -1.484148      5.313369
  H      -0.713402     -2.047207      4.753545
  H      -2.989987     -2.371888      3.303889
  H      -1.376050     -2.229313      2.556240
  H      -6.506095      3.203626      1.481764
  H      -4.220367      3.209275     -2.459361
  H      -2.162664      2.086244     -3.346735
  H      -0.921029      0.477205     -1.894575
  H      -1.712363     -0.014525      0.383195
  H      -4.777204     -0.233859      5.753385
  H      -3.906539     -1.328371      6.844957
  H      -5.930328     -0.754408      7.908450
  H      -4.635628      0.095796      8.813516
  H      -7.010026      5.620910      8.333052
  H     -10.963794      5.658510      6.058786
  H     -12.266730      3.980801      4.731741
  H     -11.379387      1.669280      4.446763
  H      -9.227090      1.009867      5.467845
  N      -1.661605      2.448281      3.482078
  N      -1.452168      3.072047      2.374393
  H      -0.908408      2.634060      1.628402
  H      -1.919460      3.962350      2.186190
99
Coordinates from ORCA-job orca E -6707.122340786064
  N      -2.543372      3.413256      5.857757
  Mo     -2.281050      1.592373      4.974277
  N      -3.048937      0.596192      6.589771
  C      -2.070223      0.407808      7.649625
  C      -1.103019      1.580323      7.718482
  N      -0.510657      1.897788      6.380095
  C      -0.114288      3.338809      6.317531
  C      -1.310723      4.185038      5.792008
  C       0.613244      0.960135      6.063638
  C       0.357986      0.348064      4.680020
  N      -1.035830      0.028717      4.627841
  H      -1.112530      4.453234      4.745098
  H      -1.380982      5.124470      6.364128
  H       0.741547      3.433632      5.637468
  H       0.214740      3.655379      7.320957
  H       1.003013     -0.536224      4.533327
  H       0.617727      1.091859      3.898550
  H       0.601846      0.154743      6.810864
  H       1.576597      1.487234      6.141073
  H      -2.532774      0.313478      8.650578
  H      -1.511421     -0.540379      7.481971
  H      -1.644858      2.469265      8.054617
  H      -0.290360      1.383555      8.438649
  C      -3.442820      3.804881      6.923939
  C      -4.106650      5.154616      6.642517
  O      -5.131646      5.054523      5.630111
  C      -4.795746      5.363934      4.363656
  O      -3.678795      5.695414      3.997759
  C      -6.010691      5.293499      3.467468
  N      -7.024167      4.558760      3.910240
  C      -8.129999      4.493841      3.133096
  N      -8.336814      5.104696      1.979124
  C      -7.309001      5.868064      1.507707
  C      -7.475061      6.532472      0.267614
  C      -6.456687      7.305175     -0.244701
  C      -5.240788      7.446679      0.464494
  C      -5.045335      6.812137      1.673763
  C      -6.071205      6.000836      2.226588
  C      -1.518593     -1.317230      4.551781
  C      -2.129894     -1.703193      3.168580
  O      -2.519904     -0.627758      2.280007
  C      -3.396332      0.326018      2.661294
  O      -3.686302      0.464482      3.918495
  C      -3.949168      1.163867      1.639657
  N      -5.005668      1.921755      2.052690
  C      -5.595137      2.697127      1.140985
  N      -5.255536      2.897251     -0.132480
  C      -4.143712      2.214511     -0.557247
  C      -3.686568      2.447510     -1.875929
  C      -2.558230      1.810113     -2.362386
  C      -1.853625      0.916162     -1.537354
  C      -2.284549      0.660594     -0.241197
  C      -3.435732      1.292016      0.287632
  C      -4.205904     -0.266005      6.704226
  C      -5.152704      0.040356      7.865593
  O      -5.815556      1.323560      7.736154
  C      -6.961235      1.322076      7.022386
  O      -7.411956      0.334393      6.466967
  C      -7.623578      2.683793      7.036042
  N      -7.007561      3.626221      7.736143
  C      -7.589552      4.846697      7.787856
  N      -8.729702      5.214947      7.237666
  C      -9.384874      4.261387      6.516736
  C     -10.614512      4.611307      5.905023
  C     -11.306076      3.681666      5.160607
  C     -10.788900      2.375111      4.994697
  C      -9.593525      2.002120      5.575147
  C      -8.860843      2.931404      6.361109
  H      -2.941014      3.924561      7.910336
  H      -4.224170      3.045286      7.050811
  H      -3.374389      5.913977      6.335722
  H      -4.635784      5.491213      7.543827
  H      -8.938240      3.861822      3.510968
  H      -8.422950      6.402128     -0.255597
  H      -6.583992      7.811244     -1.203162
  H      -4.444375      8.064876      0.046775
  H      -4.106582      6.918097      2.211869
  H      -2.290539     -1.482276      5.318965
  H      -0.707496     -2.042557      4.751936
  H      -3.000000     -2.362985      3.314796
  H      -1.387874     -2.235964      2.560043
  H      -6.484970      3.231079      1.486064
  H      -4.256087      3.150347     -2.486372
  H      -2.216408      2.000529     -3.381575
  H      -0.962900      0.411609     -1.916783
  H      -1.728579     -0.039889      0.376375
  H      -4.771520     -0.233892      5.764706
  H      -3.895712     -1.324062      6.856427
  H      -5.913180     -0.750293      7.929382
  H      -4.618697      0.113589      8.821737
  H      -7.049619      5.606261      8.362188
  H     -10.977129      5.630563      6.042344
  H     -12.250295      3.953540      4.685954
  H     -11.339997      1.652116      4.391260
  H      -9.197658      0.999798      5.437111
  N      -1.667808      2.452403      3.478987
  N      -1.449385      3.080600      2.374533
  H      -0.951046      2.622281      1.609061
  H      -1.911162      3.974765      2.192099
99
Coordinates from ORCA-job orca E -6707.123207138216
  N      -2.560286      3.413909      5.861231
  Mo     -2.286933      1.594433      4.973447
  N      -3.038136      0.601166      6.594763
  C      -2.053292      0.419920      7.650636
  C      -1.086977      1.594529      7.709224
  N      -0.508640      1.910505      6.365882
  C      -0.120930      3.351572      6.287147
  C      -1.333884      4.197015      5.797570
  C       0.618194      0.979687      6.042234
  C       0.353995      0.355305      4.665059
  N      -1.039281      0.034517      4.625872
  H      -1.151248      4.493995      4.755377
  H      -1.407381      5.121661      6.392438
  H       0.709346      3.444583      5.575781
  H       0.245921      3.672732      7.276320
  H       0.997463     -0.531102      4.524401
  H       0.610761      1.091407      3.875398
  H       0.622865      0.179585      6.795162
  H       1.577754      1.515856      6.103497
  H      -2.511562      0.329738      8.653790
  H      -1.493266     -0.527749      7.484709
  H      -1.625265      2.483410      8.050671
  H      -0.267634      1.398001      8.421904
  C      -3.453168      3.790908      6.939232
  C      -4.126178      5.140304      6.680318
  O      -5.140906      5.051886      5.656266
  C      -4.796384      5.395817      4.401466
  O      -3.681046      5.754054      4.056406
  C      -6.000002      5.326285      3.488528
  N      -7.019359      4.593104      3.919255
  C      -8.117731      4.531052      3.131246
  N      -8.311275      5.143630      1.976112
  C      -7.276424      5.903526      1.514982
  C      -7.428361      6.566806      0.272353
  C      -6.402643      7.335363     -0.231053
  C      -5.193266      7.473552      0.489928
  C      -5.011435      6.840317      1.701989
  C      -6.045336      6.033196      2.246407
  C      -1.521391     -1.312159      4.555445
  C      -2.145887     -1.700471      3.178308
  O      -2.526721     -0.624699      2.287206
  C      -3.404664      0.329137      2.664712
  O      -3.697431      0.466965      3.922700
  C      -3.955089      1.165848      1.641942
  N      -4.998730      1.939956      2.057628
  C      -5.588366      2.712765      1.144015
  N      -5.263152      2.891891     -0.136384
  C      -4.164046      2.191449     -0.565825
  C      -3.723206      2.399975     -1.894075
  C      -2.606079      1.746985     -2.385540
  C      -1.896110      0.862036     -1.555507
  C      -2.311983      0.629345     -0.250044
  C      -3.453171      1.275165      0.283328
  C      -4.193670     -0.262082      6.720427
  C      -5.137090      0.049457      7.882935
  O      -5.808567      1.326602      7.739671
  C      -6.965899      1.307073      7.045600
  O      -7.424822      0.306870      6.520136
  C      -7.632119      2.667315      7.042640
  N      -7.032581      3.612787      7.752654
  C      -7.622634      4.829845      7.795970
  N      -8.758090      5.190299      7.231163
  C      -9.395237      4.233796      6.498112
  C     -10.618777      4.575541      5.869683
  C     -11.290307      3.643281      5.110351
  C     -10.757674      2.342857      4.944153
  C      -9.568341      1.977669      5.541552
  C      -8.858212      2.908677      6.345782
  H      -2.943578      3.903814      7.922233
  H      -4.230191      3.027074      7.065166
  H      -3.399327      5.914050      6.398170
  H      -4.667431      5.449889      7.584187
  H      -8.931203      3.900766      3.500564
  H      -8.371397      6.438156     -0.259932
  H      -6.518799      7.840328     -1.191511
  H      -4.390734      8.088471      0.079092
  H      -4.077941      6.944063      2.249376
  H      -2.286531     -1.476669      5.329615
  H      -0.707577     -2.035772      4.750352
  H      -3.023094     -2.348407      3.334167
  H      -1.413927     -2.245875      2.568822
  H      -6.465741      3.264028      1.493217
  H      -4.295668      3.097932     -2.507381
  H      -2.276909      1.918743     -3.412172
  H      -1.012912      0.346392     -1.937556
  H      -1.751771     -0.065082      0.370367
  H      -4.763284     -0.236128      5.782896
  H      -3.880564     -1.318610      6.876891
  H      -5.891670     -0.745558      7.959305
  H      -4.599255      0.137376      8.835727
  H      -7.094949      5.592841      8.377148
  H     -10.992398      5.590991      6.005678
  H     -12.229694      3.908822      4.622694
  H     -11.291980      1.618715      4.327154
  H      -9.161693      0.979379      5.405282
  N      -1.679275      2.458154      3.479334
  N      -1.450238      3.089708      2.377796
  H      -1.002972      2.609561      1.594000
  H      -1.910036      3.985501      2.198008
99
Coordinates from ORCA-job orca E -6707.123944765738
  N      -2.573121      3.413229      5.869451
  Mo     -2.294242      1.597058      4.973468
  N      -3.026998      0.604922      6.601442
  C      -2.034816      0.431473      7.652206
  C      -1.070006      1.608620      7.699508
  N      -0.505623      1.922204      6.351018
  C      -0.125331      3.362447      6.256389
  C      -1.353588      4.207669      5.805644
  C       0.622056      0.996484      6.018903
  C       0.347384      0.362995      4.647078
  N      -1.045460      0.041052      4.622127
  H      -1.188595      4.533532      4.768806
  H      -1.428077      5.116818      6.423457
  H       0.679022      3.453003      5.515459
  H       0.278813      3.688250      7.229826
  H       0.989348     -0.524725      4.508249
  H       0.598896      1.093762      3.850903
  H       0.640258      0.199990      6.775435
  H       1.579049      1.538701      6.065637
  H      -2.487796      0.344815      8.657936
  H      -1.473249     -0.515351      7.486868
  H      -1.605091      2.497710      8.045588
  H      -0.244252      1.412970      8.405087
  C      -3.462131      3.776929      6.955391
  C      -4.144850      5.123722      6.711927
  O      -5.149270      5.042073      5.676713
  C      -4.797402      5.413262      4.432343
  O      -3.683930      5.793884      4.105090
  C      -5.992281      5.350785      3.505922
  N      -7.018713      4.620939      3.924511
  C      -8.110290      4.565169      3.126213
  N      -8.290433      5.182185      1.971567
  C      -7.247488      5.937478      1.521379
  C      -7.385234      6.602819      0.278168
  C      -6.350895      7.365982     -0.215660
  C      -5.147108      7.496342      0.516035
  C      -4.979166      6.861252      1.729128
  C      -6.022227      6.059599      2.264204
  C      -1.527057     -1.306506      4.559551
  C      -2.168657     -1.697384      3.190186
  O      -2.537250     -0.621518      2.295059
  C      -3.414443      0.334586      2.669047
  O      -3.710006      0.471665      3.927567
  C      -3.959812      1.172157      1.644716
  N      -4.988450      1.964672      2.063295
  C      -5.576579      2.736970      1.148315
  N      -5.265102      2.895905     -0.138134
  C      -4.180691      2.175837     -0.572424
  C      -3.755084      2.360739     -1.909049
  C      -2.650958      1.689634     -2.405354
  C      -1.938550      0.810202     -1.571738
  C      -2.340186      0.599620     -0.257934
  C      -3.469278      1.262999      0.279933
  C      -4.180819     -0.258996      6.740532
  C      -5.119992      0.062427      7.903252
  O      -5.799826      1.333174      7.741637
  C      -6.969441      1.294566      7.070056
  O      -7.436818      0.281733      6.577059
  C      -7.638515      2.653477      7.046368
  N      -7.055754      3.603338      7.764325
  C      -7.654938      4.816611      7.797789
  N      -8.786976      5.166932      7.220183
  C      -9.405814      4.205924      6.477239
  C     -10.624824      4.536823      5.834440
  C     -11.275364      3.600488      5.061789
  C     -10.724754      2.307600      4.894840
  C      -9.540230      1.952609      5.507703
  C      -8.853779      2.886668      6.328411
  H      -2.946911      3.886343      7.935930
  H      -4.233673      3.007866      7.080879
  H      -3.423402      5.909350      6.449860
  H      -4.698136      5.411695      7.615687
  H      -8.929388      3.937179      3.486532
  H      -8.324240      6.479296     -0.262355
  H      -6.455669      7.872432     -1.176647
  H      -4.337666      8.107167      0.112642
  H      -4.050621      6.959834      2.285682
  H      -2.282723     -1.470421      5.343040
  H      -0.709846     -2.028230      4.746813
  H      -3.054866     -2.329664      3.358315
  H      -1.450158     -2.259678      2.580090
  H      -6.439747      3.307503      1.501486
  H      -4.328277      3.056249     -2.524479
  H      -2.333636      1.843414     -3.438553
  H      -1.064521      0.281325     -1.956731
  H      -1.778384     -0.091298      0.364866
  H      -4.754549     -0.242473      5.804984
  H      -3.864656     -1.313408      6.904773
  H      -5.869104     -0.735854      7.996393
  H      -4.578127      0.169103      8.851925
  H      -7.139464      5.584178      8.383900
  H     -11.011200      5.547674      5.969044
  H     -12.211029      3.857642      4.562596
  H     -11.241418      1.581460      4.265302
  H      -9.121011      0.959286      5.373114
  N      -1.692273      2.465588      3.481941
  N      -1.446762      3.100172      2.384413
  H      -1.053354      2.598378      1.584770
  H      -1.907123      3.996197      2.205079
99
Coordinates from ORCA-job orca E -6707.124576423500
  N      -2.586321      3.412008      5.878006
  Mo     -2.304406      1.600068      4.973492
  N      -3.014954      0.607879      6.610020
  C      -2.012715      0.444036      7.653266
  C      -1.051465      1.625321      7.687065
  N      -0.503534      1.935882      6.331897
  C      -0.131159      3.375324      6.220887
  C      -1.374699      4.218621      5.811090
  C       0.624774      1.015151      5.990317
  C       0.337824      0.373904      4.623921
  N      -1.054294      0.048586      4.615962
  H      -1.230128      4.572035      4.780011
  H      -1.448657      5.112166      6.451115
  H       0.645715      3.462913      5.450886
  H       0.309196      3.706570      7.176950
  H       0.979867     -0.513358      4.483348
  H       0.579658      1.101084      3.821667
  H       0.656394      0.221638      6.749522
  H       1.579289      1.562687      6.022893
  H      -2.457788      0.359680      8.662582
  H      -1.448332     -0.500896      7.486912
  H      -1.584417      2.513987      8.037535
  H      -0.217878      1.432768      8.384292
  C      -3.473222      3.762553      6.969687
  C      -4.164545      5.107682      6.743298
  O      -5.158436      5.036977      5.696911
  C      -4.799007      5.442597      4.466087
  O      -3.686050      5.841381      4.158860
  C      -5.982014      5.385288      3.523258
  N      -7.014327      4.655053      3.925588
  C      -8.096990      4.605046      3.114579
  N      -8.263465      5.229852      1.962395
  C      -7.214065      5.985493      1.528009
  C      -7.337467      6.657461      0.286911
  C      -6.295601      7.419221     -0.193074
  C      -5.098585      7.541022      0.550943
  C      -4.944833      6.899811      1.762666
  C      -5.996181      6.100054      2.284329
  C      -1.532710     -1.300954      4.566623
  C      -2.196970     -1.697932      3.208788
  O      -2.553226     -0.624642      2.306693
  C      -3.428217      0.336030      2.676134
  O      -3.725568      0.475251      3.935004
  C      -3.967515      1.172014      1.648598
  N      -4.983172      1.981845      2.066708
  C      -5.570711      2.749712      1.147856
  N      -5.271505      2.886579     -0.144041
  C      -4.199646      2.148718     -0.579673
  C      -3.787937      2.308468     -1.923823
  C      -2.695539      1.619721     -2.421863
  C      -1.981047      0.747555     -1.582667
  C      -2.369709      0.560616     -0.261282
  C      -3.487339      1.241729      0.278185
  C      -4.165123     -0.258542      6.765032
  C      -5.100967      0.075196      7.926471
  O      -5.788786      1.338987      7.743517
  C      -6.968536      1.281267      7.092196
  O      -7.443510      0.255838      6.633536
  C      -7.643435      2.636886      7.050004
  N      -7.080840      3.591290      7.777914
  C      -7.692265      4.799070      7.802544
  N      -8.821201      5.137046      7.212021
  C      -9.417809      4.171470      6.456682
  C     -10.631908      4.489170      5.798298
  C     -11.256243      3.549109      5.008514
  C     -10.682659      2.266700      4.838064
  C      -9.503409      1.924096      5.467864
  C      -8.846472      2.860479      6.309287
  H      -2.953844      3.866903      7.948755
  H      -4.239369      2.988091      7.092212
  H      -3.447733      5.904223      6.502299
  H      -4.729273      5.373419      7.646794
  H      -8.920212      3.975481      3.462290
  H      -8.271408      6.539260     -0.263409
  H      -6.388809      7.930593     -1.152620
  H      -4.282855      8.150326      0.158037
  H      -4.021799      6.991913      2.329187
  H      -2.274757     -1.464322      5.363116
  H      -0.709847     -2.018690      4.743586
  H      -3.092734     -2.311494      3.394148
  H      -1.495609     -2.281086      2.598409
  H      -6.422334      3.336702      1.501966
  H      -4.361876      2.999677     -2.543364
  H      -2.388926      1.754386     -3.460939
  H      -1.115563      0.205573     -1.968653
  H      -1.806911     -0.125294      0.366082
  H      -4.742934     -0.255324      5.831516
  H      -3.844028     -1.309653      6.940174
  H      -5.844997     -0.725432      8.037863
  H      -4.555914      0.202858      8.870787
  H      -7.191172      5.571656      8.394497
  H     -11.034753      5.493503      5.933262
  H     -12.187809      3.796143      4.496728
  H     -11.177306      1.539215      4.192646
  H      -9.067460      0.938043      5.332541
  N      -1.711002      2.473379      3.483860
  N      -1.449870      3.109805      2.389342
  H      -1.108566      2.589416      1.576839
  H      -1.918251      4.001721      2.208152
99
Coordinates from ORCA-job orca E -6707.125133363410
  N      -2.591174      3.413987      5.889915
  Mo     -2.312967      1.606503      4.975712
  N      -3.005112      0.612889      6.620512
  C      -1.992112      0.454728      7.654731
  C      -1.031844      1.637678      7.676648
  N      -0.499369      1.945015      6.314837
  C      -0.129845      3.382688      6.189737
  C      -1.384591      4.228155      5.820766
  C       0.626245      1.025106      5.962694
  C       0.324868      0.380636      4.600482
  N      -1.067376      0.054827      4.608621
  H      -1.258813      4.607746      4.796426
  H      -1.454032      5.105873      6.482714
  H       0.619292      3.464527      5.392268
  H       0.344928      3.717199      7.128193
  H       0.965399     -0.506761      4.454751
  H       0.557254      1.105954      3.794033
  H       0.667085      0.232825      6.722749
  H       1.580394      1.573779      5.983778
  H      -2.428212      0.371459      8.668018
  H      -1.426943     -0.489243      7.485368
  H      -1.560618      2.526816      8.031980
  H      -0.190692      1.445865      8.364937
  C      -3.478848      3.756366      6.983298
  C      -4.178776      5.098095      6.764785
  O      -5.163350      5.029816      5.709054
  C      -4.799708      5.457879      4.487738
  O      -3.691291      5.881269      4.197108
  C      -5.975600      5.407555      3.535413
  N      -7.014050      4.680607      3.927374
  C      -8.090932      4.637390      3.107952
  N      -8.246339      5.267198      1.957144
  C      -7.190010      6.018994      1.532654
  C      -7.301977      6.695930      0.293217
  C      -6.252769      7.453465     -0.177629
  C      -5.059814      7.565676      0.574406
  C      -4.917585      6.920132      1.785213
  C      -5.976956      6.125226      2.298002
  C      -1.544569     -1.295782      4.573408
  C      -2.237361     -1.696075      3.229470
  O      -2.577074     -0.624565      2.319563
  C      -3.444376      0.345530      2.684869
  O      -3.742496      0.488388      3.943333
  C      -3.973730      1.184277      1.654189
  N      -4.970754      2.016926      2.073459
  C      -5.552622      2.786898      1.152791
  N      -5.265606      2.902960     -0.143813
  C      -4.212076      2.141330     -0.582420
  C      -3.813225      2.277668     -1.932997
  C      -2.736961      1.566098     -2.434045
  C      -2.025697      0.694560     -1.591744
  C      -2.402130      0.529937     -0.263782
  C      -3.504192      1.233721      0.278642
  C      -4.150886     -0.256617      6.789765
  C      -5.083316      0.086539      7.950919
  O      -5.781551      1.342139      7.750329
  C      -6.972784      1.266013      7.123094
  O      -7.454726      0.229950      6.696493
  C      -7.650115      2.619103      7.058534
  N      -7.108164      3.578278      7.795773
  C      -7.730312      4.781168      7.808085
  N      -8.854297      5.107181      7.201768
  C      -9.427846      4.136758      6.434540
  C     -10.634604      4.441315      5.756928
  C     -11.230710      3.497358      4.949859
  C     -10.634901      2.225025      4.779873
  C      -9.463717      1.894430      5.430741
  C      -8.838335      2.833507      6.292423
  H      -2.958291      3.859879      7.962114
  H      -4.239726      2.977038      7.104339
  H      -3.466331      5.902671      6.538031
  H      -4.754330      5.349083      7.665744
  H      -8.918768      4.009745      3.447895
  H      -8.233032      6.584383     -0.263313
  H      -6.336806      7.968649     -1.135979
  H      -4.238116      8.171449      0.188491
  H      -3.998248      7.005544      2.358867
  H      -2.270276     -1.458195      5.385085
  H      -0.716824     -2.010982      4.736356
  H      -3.145367     -2.284785      3.434168
  H      -1.558706     -2.304681      2.618325
  H      -6.387302      3.396125      1.509481
  H      -4.383303      2.969982     -2.554856
  H      -2.440065      1.683086     -3.478083
  H      -1.172187      0.135592     -1.980138
  H      -1.842428     -0.155518      0.366631
  H      -4.732763     -0.266204      5.858484
  H      -3.824169     -1.304313      6.974449
  H      -5.821012     -0.717186      8.080301
  H      -4.534290      0.234532      8.890062
  H      -7.243462      5.559243      8.404763
  H     -11.053479      5.439421      5.889253
  H     -12.156155      3.734467      4.422499
  H     -11.105829      1.496213      4.118432
  H      -9.011194      0.915503      5.297174
  N      -1.724796      2.484354      3.489533
  N      -1.442192      3.121959      2.398649
  H      -1.152603      2.585622      1.575500
  H      -1.917290      4.010759      2.215470
99
Coordinates from ORCA-job orca E -6707.125634081560
  N      -2.606108      3.414069      5.896512
  Mo     -2.325930      1.612197      4.973824
  N      -2.995233      0.616009      6.628836
  C      -1.970264      0.468722      7.653237
  C      -1.015949      1.657093      7.660818
  N      -0.500745      1.960882      6.291395
  C      -0.139084      3.398484      6.151828
  C      -1.407704      4.240342      5.824226
  C       0.625034      1.044981      5.929089
  C       0.311222      0.397241      4.571131
  N      -1.079469      0.063880      4.595744
  H      -1.303150      4.645710      4.807253
  H      -1.474927      5.101569      6.507803
  H       0.580742      3.476825      5.327646
  H       0.366719      3.738198      7.071993
  H       0.954899     -0.486542      4.418246
  H       0.528821      1.122882      3.761213
  H       0.677021      0.254102      6.689916
  H       1.577064      1.597570      5.939535
  H      -2.396020      0.386264      8.671013
  H      -1.400890     -0.472465      7.482132
  H      -1.544735      2.545281      8.018758
  H      -0.166042      1.471615      8.339906
  C      -3.494274      3.741541      6.993419
  C      -4.204266      5.080674      6.792691
  O      -5.178297      5.023044      5.726624
  C      -4.806305      5.486445      4.520933
  O      -3.697554      5.924601      4.253924
  C      -5.967111      5.441934      3.550074
  N      -7.011422      4.712713      3.921410
  C      -8.076523      4.676112      3.086447
  N      -8.216352      5.316164      1.939484
  C      -7.153883      6.070684      1.535651
  C      -7.249427      6.758199      0.300715
  C      -6.192962      7.517084     -0.151248
  C      -5.008673      7.619382      0.615671
  C      -4.882711      6.963908      1.822911
  C      -5.950463      6.168365      2.317354
  C      -1.547373     -1.290509      4.580231
  C      -2.273456     -1.700750      3.255493
  O      -2.601726     -0.636410      2.333871
  C      -3.462194      0.343084      2.692849
  O      -3.759543      0.494048      3.950822
  C      -3.983529      1.179432      1.657130
  N      -4.966799      2.030638      2.073169
  C      -5.545512      2.796519      1.147352
  N      -5.268576      2.890312     -0.153313
  C      -4.228358      2.109663     -0.590136
  C      -3.840438      2.221142     -1.946173
  C      -2.776444      1.490264     -2.445742
  C      -2.066735      0.624100     -1.596777
  C      -2.432944      0.483299     -0.263237
  C      -3.522781      1.206571      0.277681
  C      -4.134102     -0.258543      6.814736
  C      -5.063374      0.098125      7.973933
  O      -5.768188      1.346513      7.752421
  C      -6.967769      1.254634      7.144337
  O      -7.456652      0.209338      6.749278
  C      -7.650210      2.603695      7.064455
  N      -7.132302      3.565235      7.815930
  C      -7.770483      4.760055      7.824189
  N      -8.891799      5.072726      7.205975
  C      -9.438436      4.100174      6.421697
  C     -10.640507      4.389587      5.729380
  C     -11.204806      3.444256      4.901078
  C     -10.580594      2.186700      4.722730
  C      -9.414996      1.869891      5.390152
  C      -8.824873      2.808797      6.276125
  H      -2.972520      3.838941      7.972467
  H      -4.248643      2.955191      7.107863
  H      -3.496981      5.895234      6.586250
  H      -4.790031      5.309512      7.693022
  H      -8.908573      4.045645      3.410111
  H      -8.173916      6.653091     -0.267848
  H      -6.264223      8.040530     -1.106139
  H      -4.180660      8.225612      0.244258
  H      -3.970323      7.042080      2.408231
  H      -2.251756     -1.454475      5.410349
  H      -0.710195     -1.997927      4.726379
  H      -3.191297     -2.264020      3.485377
  H      -1.619623     -2.336204      2.644699
  H      -6.367973      3.422811      1.503046
  H      -4.408242      2.910400     -2.573441
  H      -2.487662      1.588426     -3.493983
  H      -1.222481      0.050725     -1.984351
  H      -1.875066     -0.197847      0.373388
  H      -4.719985     -0.284949      5.885953
  H      -3.800582     -1.301592      7.012817
  H      -5.796760     -0.706289      8.121846
  H      -4.510588      0.266523      8.907551
  H      -7.301720      5.541477      8.430878
  H     -11.080479      5.378009      5.865845
  H     -12.126148      3.670079      4.361723
  H     -11.025103      1.458850      4.042273
  H      -8.941279      0.901538      5.251746
  N      -1.746710      2.494370      3.490297
  N      -1.447004      3.131868      2.400795
  H      -1.200830      2.582978      1.570931
  H      -1.936909      4.012365      2.213283
99
Coordinates from ORCA-job orca E -6707.125803404300
  N      -2.610657      3.418088      5.912306
  Mo     -2.335335      1.619371      4.983075
  N      -2.980531      0.625412      6.652053
  C      -1.938730      0.484446      7.661326
  C      -0.982937      1.673675      7.648766
  N      -0.491288      1.971529      6.267815
  C      -0.132624      3.407720      6.111045
  C      -1.417628      4.252206      5.833401
  C       0.629483      1.055731      5.890892
  C       0.294624      0.405342      4.539009
  N      -1.095968      0.069747      4.585364
  H      -1.337478      4.686442      4.822608
  H      -1.478298      5.095986      6.541150
  H       0.553766      3.480276      5.251521
  H       0.414775      3.749506      7.012001
  H       0.936377     -0.477320      4.377872
  H       0.498528      1.129487      3.724733
  H       0.693107      0.266646      6.653455
  H       1.581560      1.609724      5.885465
  H      -2.349092      0.405238      8.686554
  H      -1.370928     -0.456763      7.485966
  H      -1.504461      2.563734      8.012902
  H      -0.120673      1.489972      8.313935
  C      -3.497889      3.739416      7.010787
  C      -4.208823      5.078872      6.820730
  O      -5.171239      5.034309      5.740586
  C      -4.790568      5.528945      4.543469
  O      -3.682171      5.980931      4.300076
  C      -5.942213      5.501611      3.556816
  N      -7.003148      4.784635      3.915014
  C      -8.061884      4.766039      3.067701
  N      -8.180074      5.412268      1.919143
  C      -7.099918      6.153132      1.527310
  C      -7.172573      6.845707      0.290584
  C      -6.099130      7.592352     -0.149395
  C      -4.920301      7.677138      0.632182
  C      -4.816589      7.016690      1.841733
  C      -5.901931      6.232820      2.323978
  C      -1.559541     -1.286829      4.591477
  C      -2.332743     -1.704174      3.288252
  O      -2.648033     -0.644162      2.356957
  C      -3.494203      0.349083      2.715427
  O      -3.785181      0.508698      3.975137
  C      -4.010037      1.188330      1.678281
  N      -4.972848      2.059327      2.097245
  C      -5.551331      2.823245      1.168589
  N      -5.293937      2.894151     -0.139755
  C      -4.272927      2.093533     -0.580731
  C      -3.904467      2.178868     -1.946396
  C      -2.857233      1.428649     -2.449158
  C      -2.145086      0.569133     -1.594319
  C      -2.493298      0.452621     -0.251988
  C      -3.566610      1.195272      0.292124
  C      -4.110532     -0.257122      6.856174
  C      -5.037096      0.106809      8.014870
  O      -5.757634      1.342807      7.768942
  C      -6.966657      1.221264      7.182255
  O      -7.457716      0.158244      6.827049
  C      -7.660602      2.563533      7.068033
  N      -7.171927      3.540735      7.818066
  C      -7.829676      4.726855      7.799699
  N      -8.946903      5.014389      7.159803
  C      -9.461317      4.025668      6.374472
  C     -10.655647      4.287166      5.655903
  C     -11.181308      3.325999      4.821413
  C     -10.524631      2.080841      4.661199
  C      -9.367236      1.790116      5.356190
  C      -8.819531      2.744451      6.251255
  H      -2.976305      3.832862      7.991004
  H      -4.249415      2.951451      7.120229
  H      -3.501859      5.899915      6.633273
  H      -4.803837      5.291305      7.720825
  H      -8.908952      4.147434      3.382912
  H      -8.093724      6.754042     -0.288838
  H      -6.152761      8.119808     -1.105556
  H      -4.078732      8.274177      0.270462
  H      -3.909235      7.083143      2.439116
  H      -2.238261     -1.451546      5.447087
  H      -0.712476     -1.988237      4.713918
  H      -3.265239     -2.237329      3.550223
  H      -1.711078     -2.371167      2.670117
  H      -6.355543      3.468403      1.528191
  H      -4.472470      2.864439     -2.578129
  H      -2.582966      1.507089     -3.504620
  H      -1.313430     -0.018680     -1.984770
  H      -1.934471     -0.223980      0.389349
  H      -4.702164     -0.300775      5.930841
  H      -3.766453     -1.294766      7.065589
  H      -5.760659     -0.704144      8.182551
  H      -4.480299      0.300724      8.942696
  H      -7.382180      5.523173      8.402312
  H     -11.119726      5.267819      5.775876
  H     -12.096165      3.530611      4.261504
  H     -10.937160      1.342321      3.973315
  H      -8.868745      0.830673      5.232638
  N      -1.777878      2.508545      3.501939
  N      -1.463217      3.151136      2.416272
  H      -1.273652      2.595615      1.572255
  H      -1.966915      4.018682      2.230392
99
Coordinates from ORCA-job orca E -6707.125130686889
  N      -2.606978      3.417683      5.917779
  Mo     -2.335149      1.625848      4.980737
  N      -2.989083      0.633167      6.652335
  C      -1.945463      0.486488      7.656946
  C      -0.982996      1.670086      7.642324
  N      -0.496865      1.962692      6.258474
  C      -0.133165      3.395745      6.096685
  C      -1.413171      4.249878      5.854112
  C       0.621367      1.042293      5.880834
  C       0.287150      0.397779      4.529303
  N      -1.105346      0.068027      4.573244
  H      -1.340286      4.710535      4.856347
  H      -1.464902      5.074330      6.587214
  H       0.525997      3.458463      5.220730
  H       0.438062      3.735194      6.979056
  H       0.928869     -0.485217      4.365593
  H       0.491182      1.122076      3.717993
  H       0.682049      0.254048      6.640555
  H       1.573486      1.592000      5.877411
  H      -2.354206      0.410115      8.682717
  H      -1.382319     -0.457224      7.480145
  H      -1.496752      2.564169      8.008471
  H      -0.119319      1.480916      8.301390
  C      -3.499157      3.738962      7.004327
  C      -4.209741      5.072641      6.809941
  O      -5.164123      5.033307      5.722342
  C      -4.786074      5.545151      4.534456
  O      -3.687707      6.027337      4.301815
  C      -5.932405      5.504879      3.553247
  N      -6.979101      4.785437      3.916798
  C      -8.036729      4.757106      3.080347
  N      -8.166508      5.395313      1.938573
  C      -7.101179      6.136987      1.540822
  C      -7.188054      6.819413      0.310097
  C      -6.131242      7.567974     -0.137606
  C      -4.954543      7.663619      0.630231
  C      -4.836548      7.012970      1.833830
  C      -5.905416      6.227800      2.324485
  C      -1.567571     -1.288349      4.586784
  C      -2.369548     -1.699081      3.300312
  O      -2.660583     -0.639500      2.362945
  C      -3.497715      0.367477      2.713365
  O      -3.795703      0.531655      3.960479
  C      -3.994205      1.216561      1.675002
  N      -4.936600      2.112007      2.085153
  C      -5.502024      2.883890      1.156530
  N      -5.251414      2.939281     -0.147040
  C      -4.249444      2.113420     -0.581918
  C      -3.885988      2.179942     -1.943882
  C      -2.854547      1.405460     -2.440053
  C      -2.153474      0.539717     -1.582724
  C      -2.498004      0.441291     -0.244244
  C      -3.555415      1.209696      0.294403
  C      -4.117715     -0.250279      6.855058
  C      -5.044218      0.112502      8.014094
  O      -5.764181      1.346037      7.766283
  C      -6.974947      1.225330      7.196867
  O      -7.469943      0.166913      6.853319
  C      -7.666510      2.566176      7.079637
  N      -7.193499      3.540836      7.835421
  C      -7.856123      4.722475      7.814034
  N      -8.966547      5.004364      7.168572
  C      -9.462116      4.017498      6.376319
  C     -10.646184      4.271646      5.649643
  C     -11.146196      3.312463      4.806810
  C     -10.473477      2.077378      4.645210
  C      -9.327542      1.792638      5.349701
  C      -8.808888      2.744343      6.253247
  H      -2.984585      3.836587      7.986442
  H      -4.248537      2.950207      7.105538
  H      -3.505015      5.892133      6.635237
  H      -4.810911      5.276599      7.702200
  H      -8.873267      4.139360      3.401444
  H      -8.107211      6.718604     -0.258553
  H      -6.196364      8.088170     -1.088989
  H      -4.125804      8.261611      0.262388
  H      -3.930944      7.088967      2.420220
  H      -2.229437     -1.455855      5.452829
  H      -0.716859     -1.988154      4.690892
  H      -3.314815     -2.197876      3.578546
  H      -1.774698     -2.394350      2.685873
  H      -6.288283      3.551893      1.512643
  H      -4.444206      2.871201     -2.578124
  H      -2.583433      1.469969     -3.492119
  H      -1.333810     -0.067508     -1.969000
  H      -1.948854     -0.240414      0.399858
  H      -4.707834     -0.293405      5.928485
  H      -3.773533     -1.288107      7.064177
  H      -5.765483     -0.696828      8.181927
  H      -4.489042      0.308663      8.940850
  H      -7.418631      5.519141      8.418066
  H     -11.122201      5.245550      5.769162
  H     -12.052636      3.511823      4.240776
  H     -10.864254      1.342600      3.948960
  H      -8.816737      0.840617      5.226194
  N      -1.776217      2.527113      3.506041
  N      -1.438490      3.179282      2.424655
  H      -1.304167      2.618536      1.575308
  H      -1.951772      4.043397      2.238020
99
Coordinates from ORCA-job orca E -6707.119935429107
  N      -2.616629      3.422429      5.904112
  Mo     -2.336812      1.629248      4.964800
  N      -2.993990      0.641733      6.641584
  C      -1.954513      0.499762      7.649910
  C      -0.997732      1.686459      7.636698
  N      -0.505332      1.975105      6.256862
  C      -0.150332      3.410838      6.094389
  C      -1.424436      4.259592      5.849768
  C       0.615965      1.056260      5.885218
  C       0.290300      0.410405      4.530705
  N      -1.100262      0.072552      4.564876
  H      -1.344188      4.725634      4.860616
  H      -1.479569      5.077896      6.586858
  H       0.506709      3.476702      5.232863
  H       0.405983      3.752849      6.969838
  H       0.940254     -0.469309      4.367826
  H       0.490983      1.137790      3.720520
  H       0.674989      0.267546      6.645064
  H       1.566414      1.607349      5.888074
  H      -2.366160      0.424903      8.674198
  H      -1.387249     -0.443829      7.479356
  H      -1.516726      2.580674      7.994262
  H      -0.138578      1.503956      8.301493
  C      -3.519941      3.734256      6.995137
  C      -4.260328      5.066404      6.804858
  O      -5.209852      5.010702      5.718487
  C      -4.826314      5.509567      4.540135
  O      -3.727786      5.983637      4.318768
  C      -5.967117      5.479197      3.552337
  N      -7.024632      4.766366      3.908192
  C      -8.073667      4.743519      3.057692
  N      -8.186788      5.381035      1.909751
  C      -7.110312      6.117594      1.520903
  C      -7.176685      6.798567      0.282865
  C      -6.105780      7.539086     -0.157186
  C      -4.935108      7.627921      0.626111
  C      -4.837365      6.978311      1.837048
  C      -5.920876      6.201255      2.319458
  C      -1.549104     -1.286671      4.580394
  C      -2.350615     -1.700031      3.298658
  O      -2.645524     -0.648562      2.353286
  C      -3.482625      0.358363      2.698007
  O      -3.781758      0.526889      3.948179
  C      -3.976039      1.211128      1.664101
  N      -4.910831      2.129501      2.093648
  C      -5.469625      2.915054      1.177280
  N      -5.222375      2.965254     -0.130133
  C      -4.231448      2.114523     -0.586370
  C      -3.874396      2.170669     -1.954736
  C      -2.857483      1.366879     -2.474997
  C      -2.162989      0.486693     -1.631942
  C      -2.499425      0.402279     -0.284249
  C      -3.543966      1.195615      0.275249
  C      -4.118166     -0.247304      6.840045
  C      -5.047187      0.103865      8.005241
  O      -5.762432      1.345083      7.784155
  C      -6.954794      1.255141      7.202506
  O      -7.422606      0.223501      6.811727
  C      -7.658161      2.589251      7.143843
  N      -7.209026      3.542147      7.981101
  C      -7.887868      4.712703      8.014446
  N      -8.996809      4.999732      7.356736
  C      -9.467683      4.034725      6.480149
  C     -10.649610      4.293161      5.734324
  C     -11.120693      3.355844      4.796578
  C     -10.422110      2.139162      4.559632
  C      -9.281256      1.848539      5.288293
  C      -8.791623      2.777892      6.286305
  H      -3.007362      3.834328      7.978314
  H      -4.260584      2.930650      7.099776
  H      -3.564167      5.902576      6.631330
  H      -4.879577      5.262358      7.696176
  H      -8.916139      4.127478      3.367825
  H      -8.091459      6.702410     -0.297884
  H      -6.155033      8.057777     -1.114383
  H      -4.094814      8.219347      0.264475
  H      -3.936420      7.049626      2.435833
  H      -2.205816     -1.464523      5.443785
  H      -0.691681     -1.976678      4.680599
  H      -3.289391     -2.194973      3.576645
  H      -1.757244     -2.392535      2.693635
  H      -6.247242      3.603124      1.550277
  H      -4.426689      2.874796     -2.576897
  H      -2.592771      1.420884     -3.534044
  H      -1.355309     -0.143957     -2.037715
  H      -1.955833     -0.291098      0.348199
  H      -4.707020     -0.288000      5.913019
  H      -3.770476     -1.286562      7.043943
  H      -5.771320     -0.702201      8.159366
  H      -4.493783      0.279233      8.933639
  H      -7.466521      5.492988      8.678968
  H     -11.145526      5.253253      5.909191
  H     -12.023025      3.560314      4.209723
  H     -10.788424      1.423154      3.784120
  H      -8.752492      0.910495      5.110074
  N      -1.767333      2.521517      3.491453
  N      -1.408689      3.167329      2.412682
  H      -1.283953      2.589826      1.569885
  H      -1.926936      4.053382      2.225458
99
Coordinates from ORCA-job orca E -6707.121719221781
  N      -2.600733      3.426434      5.904266
  Mo     -2.335297      1.627358      4.970641
  N      -2.967647      0.650846      6.662401
  C      -1.919209      0.525344      7.667070
  C      -0.964923      1.714320      7.631901
  N      -0.483686      1.989096      6.244389
  C      -0.127501      3.423590      6.064622
  C      -1.410195      4.266284      5.826715
  C       0.631218      1.066830      5.867883
  C       0.288684      0.411904      4.516264
  N      -1.101181      0.071040      4.565119
  H      -1.341018      4.727714      4.834314
  H      -1.460179      5.086222      6.556585
  H       0.525243      3.485963      5.193940
  H       0.439982      3.773798      6.935544
  H       0.935846     -0.469907      4.349727
  H       0.481652      1.138453      3.698471
  H       0.696934      0.279801      6.635169
  H       1.584150      1.618659      5.857569
  H      -2.322108      0.460667      8.696707
  H      -1.351126     -0.420409      7.504106
  H      -1.482613      2.611698      7.983288
  H      -0.099648      1.540529      8.293754
  C      -3.492522      3.741071      7.011392
  C      -4.231416      5.075434      6.822281
  O      -5.197320      5.022446      5.758871
  C      -4.821228      5.511100      4.582341
  O      -3.717223      5.961605      4.355214
  C      -5.966655      5.514774      3.585023
  N      -7.055663      4.812359      3.917880
  C      -8.102273      4.823960      3.044189
  N      -8.183572      5.486465      1.891762
  C      -7.074877      6.215103      1.527714
  C      -7.105129      6.927063      0.289194
  C      -5.999748      7.661724     -0.120636
  C      -4.830737      7.715175      0.693925
  C      -4.768906      7.034892      1.905124
  C      -5.886927      6.262367      2.355659
  C      -1.547065     -1.289752      4.591284
  C      -2.358415     -1.709205      3.317286
  O      -2.667202     -0.664474      2.367887
  C      -3.499955      0.338788      2.717867
  O      -3.782190      0.515242      3.984361
  C      -4.007850      1.184044      1.684340
  N      -4.943264      2.091907      2.130183
  C      -5.518545      2.870460      1.216532
  N      -5.285344      2.924338     -0.099221
  C      -4.292609      2.086837     -0.568384
  C      -3.950720      2.153740     -1.940914
  C      -2.932661      1.366967     -2.472214
  C      -2.224574      0.488264     -1.640107
  C      -2.547423      0.389640     -0.290395
  C      -3.590221      1.170193      0.283935
  C      -4.083436     -0.244048      6.885914
  C      -5.005081      0.127360      8.049541
  O      -5.755945      1.345924      7.788386
  C      -6.999313      1.190938      7.249010
  O      -7.505113      0.110179      6.950474
  C      -7.695172      2.524857      7.101698
  N      -7.225428      3.505360      7.849928
  C      -7.889434      4.684023      7.796332
  N      -8.994712      4.957978      7.120785
  C      -9.485347      3.967301      6.332570
  C     -10.662660      4.217289      5.570634
  C     -11.160492      3.257840      4.731120
  C     -10.493266      2.026893      4.608538
  C      -9.353425      1.744834      5.347167
  C      -8.835235      2.696430      6.248706
  H      -2.961912      3.840000      7.987225
  H      -4.236250      2.941279      7.133537
  H      -3.538470      5.898205      6.629301
  H      -4.825679      5.284164      7.713427
  H      -8.973623      4.217541      3.336962
  H      -8.020135      6.859865     -0.315630
  H      -6.020960      8.204369     -1.077248
  H      -3.963840      8.303833      0.357481
  H      -3.870620      7.080906      2.530509
  H      -2.194456     -1.470169      5.461352
  H      -0.686693     -1.975866      4.683569
  H      -3.290441     -2.205343      3.604042
  H      -1.769957     -2.398369      2.711502
  H      -6.298290      3.546807      1.599053
  H      -4.513907      2.855453     -2.555013
  H      -2.677866      1.432671     -3.532304
  H      -1.415717     -0.126225     -2.053016
  H      -1.991339     -0.299653      0.334962
  H      -4.681546     -0.313917      5.966882
  H      -3.722089     -1.272130      7.112096
  H      -5.714301     -0.692776      8.246044
  H      -4.435180      0.347759      8.963888
  H      -7.462303      5.486631      8.404690
  H     -11.134184      5.188998      5.659708
  H     -12.061563      3.455035      4.136357
  H     -10.882786      1.292463      3.915414
  H      -8.849910      0.795754      5.253580
  N      -1.780310      2.504621      3.490503
  N      -1.437217      3.139543      2.406031
  H      -1.304899      2.564220      1.566987
  H      -1.958617      4.033715      2.227851
99
Coordinates from ORCA-job orca E -6707.121209250386
  N      -2.607518      3.421230      5.929846
  Mo     -2.339480      1.630304      4.985433
  N      -2.973059      0.645854      6.667214
  C      -1.920740      0.506862      7.666905
  C      -0.959178      1.689682      7.636649
  N      -0.484223      1.976999      6.245944
  C      -0.121239      3.410461      6.076493
  C      -1.416386      4.262290      5.853933
  C       0.629582      1.057515      5.856614
  C       0.280701      0.416162      4.506373
  N      -1.109987      0.077756      4.562071
  H      -1.355568      4.736475      4.853371
  H      -1.467708      5.081635      6.594447
  H       0.533667      3.478216      5.183186
  H       0.468796      3.749260      6.960382
  H       0.921801     -0.461979      4.332160
  H       0.473296      1.145773      3.695709
  H       0.696414      0.266704      6.616577
  H       1.584713      1.608298      5.845053
  H      -2.319378      0.435386      8.697135
  H      -1.359223     -0.437900      7.491905
  H      -1.472209      2.584532      8.000348
  H      -0.088791      1.505821      8.291520
  C      -3.493911      3.728578      7.038106
  C      -4.212148      5.067815      6.863162
  O      -5.165688      5.023345      5.774235
  C      -4.766317      5.558933      4.581841
  O      -3.655407      6.063735      4.356509
  C      -5.903301      5.521341      3.580192
  N      -6.957086      4.793892      3.922214
  C      -8.006085      4.769770      3.065737
  N      -8.119390      5.417992      1.921878
  C      -7.046351      6.168279      1.546999
  C      -7.115872      6.863807      0.317131
  C      -6.049558      7.620479     -0.106366
  C      -4.880059      7.711940      0.684611
  C      -4.779301      7.048935      1.887827
  C      -5.858994      6.256127      2.354379
  C      -1.564085     -1.281684      4.587288
  C      -2.389868     -1.698545      3.316813
  O      -2.697816     -0.646754      2.375071
  C      -3.529147      0.356548      2.733873
  O      -3.800930      0.526565      3.993693
  C      -4.044837      1.189348      1.691700
  N      -4.992891      2.049030      2.092593
  C      -5.580165      2.789795      1.143418
  N      -5.344499      2.847729     -0.166784
  C      -4.332310      2.061694     -0.585870
  C      -3.982613      2.133550     -1.952876
  C      -2.943309      1.395975     -2.436483
  C      -2.220645      0.556930     -1.563549
  C      -2.552978      0.451541     -0.220497
  C      -3.617177      1.185648      0.306595
  C      -4.095285     -0.242614      6.880394
  C      -5.016706      0.130279      8.036570
  O      -5.743717      1.356229      7.773656
  C      -6.970943      1.210682      7.217131
  O      -7.481553      0.132151      6.904971
  C      -7.668341      2.550579      7.064357
  N      -7.212589      3.539634      7.818926
  C      -7.882740      4.719481      7.770759
  N      -8.979291      4.990831      7.097785
  C      -9.455852      3.992421      6.303917
  C     -10.623806      4.239147      5.549643
  C     -11.108580      3.269489      4.703382
  C     -10.436156      2.029789      4.569254
  C      -9.305276      1.751869      5.301737
  C      -8.799512      2.715922      6.209658
  H      -2.969988      3.817596      8.018205
  H      -4.239884      2.932874      7.144918
  H      -3.506252      5.902867      6.690397
  H      -4.814697      5.262868      7.768672
  H      -8.851590      4.147124      3.370415
  H      -8.029614      6.766619     -0.270477
  H      -6.101292      8.150663     -1.057114
  H      -4.043444      8.316467      0.335162
  H      -3.878836      7.121006      2.492939
  H      -2.207149     -1.458592      5.469244
  H      -0.705895     -1.973789      4.671249
  H      -3.332301     -2.193108      3.616489
  H      -1.807631     -2.399592      2.696357
  H      -6.374340      3.424208      1.487608
  H      -4.558813      2.801967     -2.599164
  H      -2.680883      1.464296     -3.493028
  H      -1.394401     -0.020266     -1.939579
  H      -1.985234     -0.207705      0.436133
  H      -4.691288     -0.297702      5.959032
  H      -3.743894     -1.274358      7.097147
  H      -5.734735     -0.681126      8.217399
  H      -4.455867      0.339946      8.958442
  H      -7.469251      5.525898      8.385315
  H     -11.100429      5.216281      5.649916
  H     -12.002956      3.462288      4.115421
  H     -10.816555      1.286153      3.871691
  H      -8.795591      0.795351      5.199428
  N      -1.806842      2.532833      3.509364
  N      -1.504233      3.186265      2.420759
  H      -1.363748      2.645896      1.568273
  H      -2.028280      4.022505      2.247901
99
Coordinates from ORCA-job orca E -6707.120446361480
  N      -2.597550      3.431831      5.931682
  Mo     -2.330935      1.642324      4.984529
  N      -2.984189      0.648767      6.657810
  C      -1.943788      0.498580      7.665074
  C      -0.975904      1.675062      7.650925
  N      -0.485498      1.963994      6.267944
  C      -0.115723      3.395595      6.106225
  C      -1.400461      4.258547      5.873836
  C       0.622717      1.037113      5.883288
  C       0.286149      0.405147      4.529333
  N      -1.107128      0.076975      4.568286
  H      -1.327324      4.732166      4.877069
  H      -1.449469      5.076480      6.615965
  H       0.545369      3.459866      5.220942
  H       0.466817      3.729857      6.994466
  H       0.924981     -0.475732      4.359068
  H       0.493994      1.135100      3.725219
  H       0.673667      0.245916      6.638625
  H       1.580191      1.577204      5.883237
  H      -2.352254      0.423553      8.690487
  H      -1.384545     -0.447196      7.491576
  H      -1.486971      2.571972      8.012619
  H      -0.114270      1.484271      8.312838
  C      -3.486956      3.751865      7.014833
  C      -4.188363      5.084736      6.823659
  O      -5.140254      5.055180      5.727572
  C      -4.764871      5.558698      4.533846
  O      -3.661517      6.000526      4.288315
  C      -5.922303      5.538798      3.568776
  N      -6.967478      4.840433      3.956712
  C      -8.034532      4.817575      3.143352
  N      -8.176379      5.442909      2.003524
  C      -7.113698      6.164599      1.581904
  C      -7.214740      6.831960      0.352455
  C      -6.161795      7.558254     -0.123116
  C      -4.973731      7.646092      0.614521
  C      -4.840335      7.009692      1.816464
  C      -5.906328      6.247445      2.336784
  C      -1.573088     -1.280239      4.586141
  C      -2.404298     -1.694735      3.313780
  O      -2.694763     -0.639558      2.367492
  C      -3.514989      0.380508      2.725467
  O      -3.798928      0.554727      3.978127
  C      -4.010408      1.236603      1.693320
  N      -4.939903      2.165654      2.119931
  C      -5.491857      2.949636      1.193231
  N      -5.240704      2.984979     -0.122082
  C      -4.251702      2.120925     -0.573991
  C      -3.885404      2.157142     -1.951713
  C      -2.869522      1.339860     -2.461517
  C      -2.182865      0.467379     -1.596078
  C      -2.528634      0.403583     -0.239068
  C      -3.574507      1.208064      0.305321
  C      -4.109106     -0.242536      6.841911
  C      -5.050727      0.104631      7.989094
  O      -5.769047      1.334338      7.739124
  C      -6.965610      1.212651      7.156243
  O      -7.453784      0.156774      6.809307
  C      -7.666856      2.548209      7.046481
  N      -7.209949      3.524966      7.813188
  C      -7.880697      4.704238      7.794196
  N      -8.984790      4.982935      7.146151
  C      -9.465051      3.993415      6.345223
  C     -10.642988      4.242143      5.620103
  C     -11.125537      3.278176      4.766264
  C     -10.439247      2.042553      4.593501
  C      -9.300951      1.763624      5.298558
  C      -8.800366      2.720977      6.213019
  H      -2.978526      3.846168      7.998668
  H      -4.236493      2.967981      7.110870
  H      -3.478791      5.903365      6.655684
  H      -4.791337      5.283906      7.721119
  H      -8.869860      4.214160      3.483020
  H      -8.142045      6.737297     -0.193371
  H      -6.238427      8.066846     -1.074729
  H      -4.147474      8.226730      0.223831
  H      -3.925335      7.079393      2.378347
  H      -2.221324     -1.449692      5.469701
  H      -0.720112     -1.981078      4.671612
  H      -3.360401     -2.177357      3.617553
  H      -1.827266     -2.412360      2.690133
  H      -6.269265      3.647855      1.564983
  H      -4.431156      2.857790     -2.587958
  H      -2.596998      1.376618     -3.528197
  H      -1.374243     -0.173129     -1.992032
  H      -1.990534     -0.285002      0.409554
  H      -4.687548     -0.280725      5.908802
  H      -3.764261     -1.280971      7.046492
  H      -5.768060     -0.711194      8.139602
  H      -4.509119      0.297225      8.922461
  H      -7.454162      5.500861      8.400126
  H     -11.129940      5.216019      5.747196
  H     -12.026083      3.472713      4.199627
  H     -10.816395      1.304189      3.887935
  H      -8.779761      0.809711      5.170296
  N      -1.762020      2.548657      3.511956
  N      -1.425258      3.205418      2.427926
  H      -1.289423      2.620749      1.571163
  H      -1.931411      4.071388      2.249630
99
Coordinates from ORCA-job orca E -6707.121527464808
  N      -2.633540      3.417117      5.901587
  Mo     -2.342387      1.622209      4.965294
  N      -2.980532      0.634837      6.645932
  C      -1.937384      0.506312      7.654070
  C      -0.990487      1.700034      7.630257
  N      -0.507415      1.986123      6.248206
  C      -0.162344      3.424805      6.076928
  C      -1.445626      4.262590      5.839449
  C       0.618374      1.073620      5.875670
  C       0.289262      0.423926      4.520784
  N      -1.098703      0.074161      4.558302
  H      -1.372154      4.729047      4.854451
  H      -1.503441      5.076654      6.573423
  H       0.488015      3.495782      5.211516
  H       0.398059      3.769315      6.946992
  H       0.943478     -0.452915      4.355151
  H       0.482644      1.154891      3.708961
  H       0.683860      0.284280      6.638319
  H       1.567436      1.631713      5.875071
  H      -2.345245      0.434489      8.680127
  H      -1.364860     -0.435231      7.488888
  H      -1.515654      2.591445      7.984230
  H      -0.125866      1.528361      8.292807
  C      -3.534830      3.731576      6.990090
  C      -4.263345      5.061420      6.793603
  O      -5.218930      5.021284      5.714341
  C      -4.841603      5.516575      4.541691
  O      -3.740552      5.955507      4.321063
  C      -5.982618      5.504941      3.544847
  N      -7.061048      4.798832      3.884164
  C      -8.100782      4.787324      3.010566
  N      -8.185300      5.428202      1.850524
  C      -7.087953      6.159964      1.478571
  C      -7.122352      6.847846      0.229970
  C      -6.028875      7.584620     -0.189690
  C      -4.868334      7.665086      0.625338
  C      -4.802796      7.008967      1.846552
  C      -5.908053      6.233787      2.307239
  C      -1.537228     -1.289632      4.586533
  C      -2.352212     -1.717774      3.317607
  O      -2.653665     -0.678115      2.358995
  C      -3.489425      0.330484      2.699709
  O      -3.782993      0.503728      3.957921
  C      -3.990216      1.174126      1.659207
  N      -4.935997      2.076415      2.086645
  C      -5.504238      2.859758      1.177086
  N      -5.254692      2.930547     -0.117270
  C      -4.254526      2.096607     -0.574679
  C      -3.896151      2.184680     -1.924153
  C      -2.868001      1.408220     -2.441412
  C      -2.167803      0.519532     -1.617241
  C      -2.507012      0.399434     -0.291832
  C      -3.559101      1.171475      0.272074
  C      -4.095314     -0.264479      6.851933
  C      -5.025598      0.085456      8.019180
  O      -5.763298      1.316008      7.793342
  C      -6.973933      1.211265      7.232005
  O      -7.452524      0.172654      6.870633
  C      -7.664423      2.545392      7.157148
  N      -7.196945      3.494083      7.966820
  C      -7.861295      4.672033      7.977507
  N      -8.966916      4.971885      7.309252
  C      -9.456505      4.011076      6.460607
  C     -10.637670      4.284615      5.705412
  C     -11.132097      3.351982      4.807485
  C     -10.458429      2.125931      4.619755
  C      -9.316473      1.822179      5.351194
  C      -8.802161      2.745728      6.306836
  H      -3.018338      3.831682      7.970622
  H      -4.278384      2.936347      7.096904
  H      -3.564972      5.877541      6.616392
  H      -4.865633      5.266177      7.678375
  H      -8.960839      4.178497      3.308047
  H      -8.030679      6.760049     -0.374423
  H      -6.053233      8.108016     -1.154313
  H      -4.010852      8.255140      0.281576
  H      -3.911214      7.076515      2.470987
  H      -2.180905     -1.470801      5.458807
  H      -0.674831     -1.971645      4.678466
  H      -3.286716     -2.206355      3.612812
  H      -1.768272     -2.416376      2.717351
  H      -6.291352      3.529617      1.547000
  H      -4.453114      2.893562     -2.533447
  H      -2.599806      1.492673     -3.480922
  H      -1.350762     -0.086734     -2.019558
  H      -1.956160     -0.295101      0.328999
  H      -4.685441     -0.314609      5.926542
  H      -3.737527     -1.299162      7.061552
  H      -5.738564     -0.733018      8.187273
  H      -4.465184      0.278013      8.941462
  H      -7.431617      5.447720      8.627698
  H     -11.115698      5.251476      5.846919
  H     -12.035571      3.567622      4.218636
  H     -10.844997      1.412738      3.882796
  H      -8.807368      0.876920      5.209232
  N      -1.786034      2.514008      3.495399
  N      -1.444245      3.158693      2.417379
  H      -1.306915      2.597033      1.582355
  H      -1.970768      4.050279      2.238867
99
Coordinates from ORCA-job orca E -6707.122155185877
  N      -2.595974      3.425446      5.911531
  Mo     -2.327855      1.633120      4.972948
  N      -2.961769      0.659972      6.664268
  C      -1.913489      0.527728      7.666063
  C      -0.954249      1.710369      7.626696
  N      -0.478761      1.985845      6.236078
  C      -0.119605      3.419467      6.061345
  C      -1.406150      4.267421      5.837753
  C       0.635378      1.063968      5.854869
  C       0.290817      0.415097      4.503834
  N      -1.099477      0.074608      4.556120
  H      -1.343468      4.739669      4.845709
  H      -1.453926      5.081265      6.578978
  H       0.529649      3.483737      5.182721
  H       0.459485      3.760646      6.935162
  H       0.935554     -0.466161      4.333732
  H       0.485046      1.143407      3.688935
  H       0.698998      0.276271      6.620026
  H       1.589420      1.613711      5.844160
  H      -2.314235      0.466873      8.696660
  H      -1.352301     -0.420629      7.501329
  H      -1.468500      2.608864      7.981052
  H      -0.085643      1.534003      8.283540
  C      -3.488469      3.728129      7.027537
  C      -4.235507      5.070020      6.864361
  O      -5.196142      5.016153      5.793179
  C      -4.801581      5.567301      4.615260
  O      -3.694656      6.098428      4.395746
  C      -5.929706      5.532670      3.603204
  N      -6.999958      4.801649      3.920525
  C      -8.044442      4.802144      3.046954
  N      -8.137354      5.476975      1.907260
  C      -7.046617      6.230114      1.557771
  C      -7.091672      6.956245      0.334408
  C      -6.004718      7.716379     -0.060413
  C      -4.838893      7.779961      0.752882
  C      -4.763280      7.086478      1.949820
  C      -5.864111      6.291771      2.387028
  C      -1.546096     -1.286480      4.594252
  C      -2.378807     -1.711353      3.335796
  O      -2.686054     -0.670253      2.384111
  C      -3.513892      0.340836      2.731881
  O      -3.790011      0.525374      3.991333
  C      -4.025454      1.173928      1.691717
  N      -4.971027      2.059961      2.114767
  C      -5.559696      2.806526      1.176757
  N      -5.332573      2.842701     -0.148559
  C      -4.325475      2.031498     -0.591153
  C      -3.996539      2.067933     -1.985054
  C      -2.971850      1.292995     -2.502278
  C      -2.241564      0.462070     -1.630351
  C      -2.551786      0.393202     -0.259933
  C      -3.606335      1.152172      0.293118
  C      -4.079663     -0.231110      6.889242
  C      -4.999383      0.149442      8.049964
  O      -5.743175      1.370206      7.780514
  C      -6.980672      1.208302      7.230553
  O      -7.484039      0.118716      6.933477
  C      -7.687156      2.542127      7.071565
  N      -7.234549      3.531150      7.827843
  C      -7.913437      4.702416      7.780510
  N      -9.014470      4.964697      7.099539
  C      -9.486913      3.966215      6.302202
  C     -10.658575      4.203883      5.534907
  C     -11.136991      3.235049      4.680041
  C     -10.458157      2.006150      4.550327
  C      -9.324135      1.735969      5.297914
  C      -8.823035      2.699435      6.212504
  H      -2.958477      3.815659      8.006787
  H      -4.231134      2.919385      7.137384
  H      -3.541201      5.919951      6.689483
  H      -4.841931      5.257368      7.771520
  H      -8.903432      4.179142      3.329649
  H      -8.002789      6.879756     -0.270530
  H      -6.037687      8.269465     -1.004406
  H      -3.986015      8.385671      0.426896
  H      -3.864775      7.134830      2.570285
  H      -2.179158     -1.463596      5.475850
  H      -0.684598     -1.972960      4.673822
  H      -3.314138     -2.193319      3.641026
  H      -1.805299     -2.414772      2.727152
  H      -6.351636      3.458037      1.538118
  H      -4.578289      2.731182     -2.630323
  H      -2.731039      1.326138     -3.585818
  H      -1.427953     -0.144484     -2.032883
  H      -1.982039     -0.267492      0.389559
  H      -4.678511     -0.298388      5.970145
  H      -3.722619     -1.259498      7.115643
  H      -5.711428     -0.666495      8.244236
  H      -4.431565      0.372535      8.967099
  H      -7.507014      5.510937      8.402102
  H     -11.140638      5.172735      5.632743
  H     -12.033587      3.422404      4.081710
  H     -10.832384      1.262117      3.844830
  H      -8.810140      0.788509      5.195889
  N      -1.784657      2.525381      3.490393
  N      -1.472988      3.169960      2.399351
  H      -1.327746      2.613711      1.554648
  H      -2.000185      4.044564      2.224471
99
Coordinates from ORCA-job orca E -6707.123276853137
  N      -2.602939      3.424991      5.933014
  Mo     -2.333130      1.636341      4.986040
  N      -2.976166      0.649852      6.664860
  C      -1.929101      0.504470      7.667713
  C      -0.961863      1.681556      7.641460
  N      -0.484223      1.968232      6.251976
  C      -0.117115      3.400576      6.086155
  C      -1.408246      4.259491      5.869768
  C       0.627034      1.046286      5.861935
  C       0.282892      0.413415      4.509098
  N      -1.109096      0.078273      4.556268
  H      -1.344824      4.742950      4.873529
  H      -1.455906      5.071898      6.619866
  H       0.534588      3.466894      5.190052
  H       0.477862      3.734071      6.969838
  H       0.923014     -0.464747      4.333913
  H       0.481962      1.145239      3.704019
  H       0.686561      0.254146      6.618359
  H       1.583400      1.592225      5.856102
  H      -2.331799      0.434999      8.696396
  H      -1.371708     -0.443052      7.495079
  H      -1.471649      2.578522      8.005021
  H      -0.093334      1.493752      8.296538
  C      -3.490686      3.743535      7.025260
  C      -4.187159      5.080651      6.838811
  O      -5.144037      5.053723      5.751481
  C      -4.763146      5.544854      4.565564
  O      -3.651433      5.968764      4.329329
  C      -5.915132      5.536993      3.583644
  N      -6.978366      4.836512      3.948268
  C      -8.034551      4.820414      3.106299
  N      -8.149085      5.455375      1.957786
  C      -7.068750      6.181271      1.560844
  C      -7.141592      6.861616      0.325552
  C      -6.070723      7.595265     -0.121871
  C      -4.893215      7.678571      0.650697
  C      -4.788044      7.029228      1.858446
  C      -5.871617      6.257830      2.349470
  C      -1.563412     -1.280806      4.586456
  C      -2.412391     -1.698310      3.328062
  O      -2.711499     -0.649700      2.378627
  C      -3.532150      0.364550      2.736295
  O      -3.804673      0.540188      3.990714
  C      -4.043211      1.203535      1.696299
  N      -4.982530      2.089240      2.108047
  C      -5.558896      2.848695      1.170569
  N      -5.320086      2.897795     -0.141563
  C      -4.317338      2.082617     -0.573378
  C      -3.960018      2.153154     -1.934035
  C      -2.927033      1.394901     -2.422053
  C      -2.218036      0.535981     -1.561220
  C      -2.556264      0.434821     -0.222019
  C      -3.614265      1.191566      0.311604
  C      -4.098959     -0.240185      6.868758
  C      -5.024810      0.128362      8.021733
  O      -5.739980      1.357150      7.754489
  C      -6.953711      1.212467      7.183178
  O      -7.463281      0.129858      6.873110
  C      -7.658198      2.550103      7.035695
  N      -7.207185      3.542135      7.785678
  C      -7.886816      4.717355      7.746418
  N      -8.990620      4.981113      7.090833
  C      -9.463128      3.978666      6.304288
  C     -10.639449      4.214137      5.571362
  C     -11.116587      3.238719      4.728693
  C     -10.428123      2.003270      4.574815
  C      -9.291266      1.735643      5.290544
  C      -8.793425      2.706632      6.194820
  H      -2.973591      3.834817      8.007061
  H      -4.243822      2.959384      7.124260
  H      -3.474973      5.893648      6.668434
  H      -4.779366      5.284277      7.735789
  H      -8.886101      4.216959      3.427403
  H      -8.061985      6.771725     -0.246506
  H      -6.125625      8.114218     -1.076719
  H      -4.053571      8.266581      0.283802
  H      -3.882702      7.099328      2.449118
  H      -2.194102     -1.457309      5.479476
  H      -0.703400     -1.973536      4.657865
  H      -3.363338     -2.172999      3.645505
  H      -1.848321     -2.419329      2.705429
  H      -6.344832      3.514637      1.531881
  H      -4.524100      2.839586     -2.569752
  H      -2.657975      1.465296     -3.470087
  H      -1.396457     -0.057563     -1.941480
  H      -1.997758     -0.236819      0.428243
  H      -4.691235     -0.289660      5.944313
  H      -3.749739     -1.273926      7.081554
  H      -5.746393     -0.679714      8.192529
  H      -4.470392      0.332636      8.948145
  H      -7.472456      5.526576      8.348225
  H     -11.128722      5.187579      5.684752
  H     -12.016407      3.423175      4.154723
  H     -10.801216      1.254462      3.875972
  H      -8.769356      0.781926      5.174406
  N      -1.788131      2.547063      3.512610
  N      -1.480126      3.205677      2.425732
  H      -1.343648      2.639184      1.562884
  H      -1.996212      4.044791      2.254402
99
Coordinates from ORCA-job orca E -6707.122574662602
  N      -2.620637      3.427568      5.921819
  Mo     -2.345039      1.639947      4.966113
  N      -2.984706      0.643755      6.643439
  C      -1.938519      0.503076      7.647944
  C      -0.979391      1.688285      7.627575
  N      -0.498064      1.977858      6.244616
  C      -0.141657      3.413472      6.078567
  C      -1.428776      4.266425      5.861593
  C       0.615393      1.058541      5.858456
  C       0.276659      0.424856      4.500869
  N      -1.113657      0.084301      4.539567
  H      -1.360998      4.750777      4.875425
  H      -1.479296      5.073025      6.610400
  H       0.506470      3.484216      5.198250
  H       0.436017      3.749253      6.953522
  H       0.923463     -0.452082      4.324330
  H       0.472430      1.161186      3.696808
  H       0.673394      0.263525      6.613654
  H       1.570384      1.605670      5.859103
  H      -2.343350      0.428061      8.675218
  H      -1.374334     -0.441393      7.476627
  H      -1.495786      2.582188      7.988232
  H      -0.113731      1.506180      8.286633
  C      -3.515567      3.735541      7.018191
  C      -4.232252      5.074650      6.836210
  O      -5.173382      5.041641      5.732553
  C      -4.787220      5.572203      4.547204
  O      -3.689734      6.061516      4.326043
  C      -5.926491      5.528808      3.558250
  N      -6.966974      4.809907      3.924120
  C      -8.014810      4.766331      3.084374
  N      -8.141824      5.384692      1.933736
  C      -7.083512      6.127340      1.533416
  C      -7.167380      6.790603      0.293824
  C      -6.116212      7.537601     -0.158288
  C      -4.948034      7.651491      0.613815
  C      -4.832964      7.020145      1.826197
  C      -5.896766      6.237241      2.322196
  C      -1.561277     -1.278398      4.576318
  C      -2.412207     -1.705654      3.321812
  O      -2.702074     -0.667406      2.355255
  C      -3.515708      0.358830      2.702503
  O      -3.800852      0.541579      3.965261
  C      -4.004007      1.211235      1.660825
  N      -4.940025      2.131097      2.075363
  C      -5.486887      2.916758      1.150554
  N      -5.223802      2.971647     -0.145430
  C      -4.231071      2.117083     -0.587316
  C      -3.854528      2.176470     -1.942018
  C      -2.834653      1.368016     -2.444442
  C      -2.157102      0.479000     -1.597744
  C      -2.513504      0.390818     -0.264030
  C      -3.561587      1.190236      0.278103
  C      -4.102853     -0.254504      6.840021
  C      -5.036137      0.084104      8.005289
  O      -5.777352      1.309615      7.781564
  C      -6.986425      1.202627      7.222375
  O      -7.460719      0.167063      6.857742
  C      -7.676703      2.535635      7.140309
  N      -7.214678      3.489463      7.939400
  C      -7.876287      4.672314      7.924840
  N      -8.971558      4.973298      7.239026
  C      -9.456353      4.007195      6.402957
  C     -10.627206      4.282084      5.632884
  C     -11.121130      3.344073      4.762197
  C     -10.454120      2.109711      4.612547
  C      -9.320592      1.805303      5.352035
  C      -8.807376      2.734492      6.281854
  H      -3.004711      3.819260      8.004311
  H      -4.260400      2.945807      7.115384
  H      -3.524720      5.903702      6.675826
  H      -4.850300      5.266169      7.733174
  H      -8.843738      4.146042      3.404487
  H      -8.079917      6.675935     -0.278448
  H      -6.178909      8.042512     -1.118101
  H      -4.122393      8.247821      0.241967
  H      -3.932868      7.110489      2.415244
  H      -2.189915     -1.455604      5.469945
  H      -0.698914     -1.965974      4.649405
  H      -3.363148     -2.170924      3.643023
  H      -1.852687     -2.433523      2.711559
  H      -6.270172      3.597912      1.503928
  H      -4.393302      2.887116     -2.567824
  H      -2.553991      1.425738     -3.491231
  H      -1.345983     -0.153693     -1.989131
  H      -1.981215     -0.306406      0.374449
  H      -4.690976     -0.297737      5.913234
  H      -3.747341     -1.291161      7.042437
  H      -5.745847     -0.738891      8.169940
  H      -4.478140      0.274676      8.927158
  H      -7.451557      5.451218      8.567679
  H     -11.100669      5.255438      5.746470
  H     -12.017906      3.559776      4.163811
  H     -10.842112      1.393043      3.900741
  H      -8.816954      0.852914      5.240505
  N      -1.790186      2.541359      3.504289
  N      -1.447923      3.194255      2.429614
  H      -1.309387      2.635707      1.596102
  H      -1.972804      4.066136      2.252769
99
Coordinates from ORCA-job orca E -6707.123080636490
  N      -2.628667      3.422895      5.909271
  Mo     -2.335128      1.630766      4.965653
  N      -2.972432      0.643376      6.649124
  C      -1.930779      0.519240      7.659837
  C      -0.983643      1.712051      7.631866
  N      -0.504350      1.994988      6.246227
  C      -0.158339      3.433372      6.073271
  C      -1.441904      4.272286      5.852716
  C       0.622388      1.081525      5.872832
  C       0.294589      0.435130      4.516124
  N      -1.093854      0.082908      4.549407
  H      -1.372459      4.752318      4.874028
  H      -1.496596      5.076334      6.598703
  H       0.482341      3.504198      5.199547
  H       0.413927      3.775935      6.937477
  H       0.951269     -0.440316      4.348273
  H       0.486213      1.168154      3.706342
  H       0.687591      0.290784      6.633936
  H       1.571842      1.639628      5.875009
  H      -2.339219      0.451835      8.685397
  H      -1.357300     -0.423362      7.499245
  H      -1.507609      2.604685      7.984745
  H      -0.117054      1.541101      8.291929
  C      -3.534571      3.726729      7.001880
  C      -4.274989      5.056189      6.815349
  O      -5.233376      5.009764      5.741564
  C      -4.845743      5.531000      4.571831
  O      -3.739669      6.007422      4.356431
  C      -5.977522      5.524687      3.560319
  N      -7.066911      4.818118      3.879853
  C      -8.103721      4.826560      2.994557
  N      -8.173334      5.485407      1.840783
  C      -7.063444      6.215417      1.488720
  C      -7.081669      6.923819      0.248416
  C      -5.976015      7.662867     -0.148304
  C      -4.819407      7.725336      0.682123
  C      -4.769922      7.049172      1.895491
  C      -5.887663      6.271231      2.332425
  C      -1.524483     -1.281811      4.590291
  C      -2.362866     -1.709174      3.341309
  O      -2.662716     -0.675186      2.378227
  C      -3.491922      0.338429      2.716145
  O      -3.775349      0.517274      3.964627
  C      -3.994591      1.179214      1.677761
  N      -4.931701      2.084131      2.104082
  C      -5.508593      2.852111      1.182179
  N      -5.278016      2.893054     -0.132074
  C      -4.282481      2.057511     -0.585066
  C      -3.951171      2.092935     -1.972507
  C      -2.934947      1.298165     -2.494149
  C      -2.217192      0.447049     -1.635238
  C      -2.531882      0.375329     -0.275666
  C      -3.576690      1.156348      0.283770
  C      -4.085847     -0.257847      6.852750
  C      -5.021891      0.097461      8.008341
  O      -5.759725      1.323543      7.765205
  C      -6.975134      1.202341      7.207668
  O      -7.465735      0.150873      6.865638
  C      -7.670794      2.537561      7.106597
  N      -7.219194      3.495521      7.908044
  C      -7.896586      4.664153      7.929472
  N      -9.000443      4.948358      7.284033
  C      -9.470948      3.979739      6.440612
  C     -10.647644      4.236185      5.713111
  C     -11.118290      3.295045      4.810798
  C     -10.426793      2.076005      4.598286
  C      -9.291198      1.787555      5.309145
  C      -8.800434      2.721845      6.267592
  H      -3.016736      3.824787      7.981522
  H      -4.275961      2.922107      7.106210
  H      -3.581119      5.880437      6.639172
  H      -4.877698      5.255755      7.701421
  H      -8.978927      4.223953      3.280203
  H      -7.987987      6.850733     -0.368237
  H      -5.988002      8.202443     -1.106123
  H      -3.952053      8.317571      0.356780
  H      -3.880715      7.102603      2.532007
  H      -2.147630     -1.468493      5.473069
  H      -0.656844     -1.958676      4.663808
  H      -3.298004     -2.176186      3.653018
  H      -1.799215     -2.423383      2.744342
  H      -6.290787      3.522163      1.550108
  H      -4.522162      2.772152     -2.608368
  H      -2.691765      1.333388     -3.570330
  H      -1.409139     -0.172585     -2.039609
  H      -1.972864     -0.299844      0.365193
  H      -4.671635     -0.314372      5.925388
  H      -3.726309     -1.289128      7.068994
  H      -5.733069     -0.720646      8.175324
  H      -4.469210      0.300243      8.933936
  H      -7.484215      5.445031      8.582093
  H     -11.140110      5.196269      5.875735
  H     -12.017755      3.496453      4.243660
  H     -10.794483      1.355132      3.857420
  H      -8.767995      0.847076      5.148616
  N      -1.777055      2.531456      3.491032
  N      -1.441708      3.182225      2.406748
  H      -1.311952      2.621091      1.566528
  H      -1.969229      4.074284      2.230327
99
Coordinates from ORCA-job orca E -6707.122466019184
  N      -2.593929      3.426117      5.922310
  Mo     -2.329534      1.637129      4.982989
  N      -2.959868      0.662248      6.672381
  C      -1.909339      0.524193      7.670692
  C      -0.941728      1.699724      7.627686
  N      -0.474192      1.973512      6.232586
  C      -0.106639      3.404361      6.053958
  C      -1.401032      4.260964      5.849592
  C       0.631868      1.048489      5.842685
  C       0.281010      0.410450      4.492349
  N      -1.110721      0.074836      4.546758
  H      -1.347470      4.745714      4.856952
  H      -1.441985      5.067776      6.601218
  H       0.533680      3.463970      5.152384
  H       0.499443      3.742274      6.928695
  H       0.919063     -0.470053      4.316408
  H       0.478708      1.141328      3.683100
  H       0.691287      0.259602      6.604082
  H       1.588344      1.591837      5.829208
  H      -2.307330      0.465148      8.702998
  H      -1.355380     -0.426603      7.504218
  H      -1.447856      2.600806      7.987653
  H      -0.069129      1.516652      8.278175
  C      -3.478764      3.745179      7.021831
  C      -4.192253      5.084227      6.845500
  O      -5.151442      5.051579      5.769678
  C      -4.769530      5.568436      4.594162
  O      -3.663366      6.035460      4.364543
  C      -5.911383      5.550236      3.603563
  N      -6.978304      4.833226      3.944369
  C      -8.029706      4.828227      3.089053
  N      -8.134304      5.487019      1.947223
  C      -7.048724      6.229063      1.575596
  C      -7.109115      6.938944      0.350675
  C      -6.030721      7.690191     -0.067569
  C      -4.858265      7.760901      0.723944
  C      -4.766378      7.082241      1.921776
  C      -5.858004      6.294745      2.382343
  C      -1.560229     -1.286843      4.598006
  C      -2.433025     -1.716671      3.357073
  O      -2.727613     -0.679855      2.393823
  C      -3.539931      0.347053      2.742811
  O      -3.812232      0.540460      4.005205
  C      -4.051473      1.179715      1.700125
  N      -4.996645      2.066052      2.119530
  C      -5.582879      2.814654      1.181321
  N      -5.350883      2.855069     -0.139186
  C      -4.343539      2.043301     -0.578418
  C      -3.999351      2.107223     -1.947995
  C      -2.965207      1.352193     -2.447054
  C      -2.244734      0.502936     -1.588440
  C      -2.571237      0.405217     -0.242617
  C      -3.629001      1.158820      0.304215
  C      -4.077592     -0.228322      6.902306
  C      -4.987854      0.154995      8.069680
  O      -5.721136      1.378973      7.789868
  C      -6.963011      1.203501      7.240609
  O      -7.482510      0.093649      6.976412
  C      -7.672711      2.536083      7.065780
  N      -7.222457      3.533712      7.810923
  C      -7.906277      4.702740      7.742625
  N      -9.010620      4.955347      7.052010
  C      -9.480583      3.948087      6.264671
  C     -10.654527      4.173342      5.479873
  C     -11.127084      3.194043      4.620705
  C     -10.440144      1.966129      4.504377
  C      -9.306833      1.707294      5.275938
  C      -8.810599      2.682224      6.194278
  H      -2.953399      3.833820      8.001520
  H      -4.231836      2.955151      7.125109
  H      -3.487263      5.908792      6.676194
  H      -4.789869      5.280651      7.743487
  H      -8.881687      4.210287      3.386220
  H      -8.025425      6.858202     -0.235887
  H      -6.076535      8.231684     -1.012238
  H      -4.013301      8.361548      0.380725
  H      -3.864645      7.140377      2.527024
  H      -2.172942     -1.462976      5.502374
  H      -0.694484     -1.973423      4.655909
  H      -3.384757     -2.172091      3.692509
  H      -1.886584     -2.452628      2.740525
  H      -6.373458      3.474728      1.545338
  H      -4.573475      2.785165     -2.582713
  H      -2.707070      1.418251     -3.502077
  H      -1.422682     -0.086870     -1.975855
  H      -2.003679     -0.259422      0.403891
  H      -4.684451     -0.293053      5.987375
  H      -3.719342     -1.257813      7.124904
  H      -5.705155     -0.656249      8.268664
  H      -4.413694      0.376300      8.985982
  H      -7.496101      5.518085      8.342277
  H     -11.142090      5.141688      5.562023
  H     -12.022817      3.372626      4.001315
  H     -10.807470      1.213226      3.787463
  H      -8.786478      0.759929      5.184262
  N      -1.789772      2.540137      3.505994
  N      -1.488571      3.192274      2.416348
  H      -1.350683      2.612750      1.549913
  H      -2.010089      4.058893      2.250572
99
Coordinates from ORCA-job orca E -6707.123872101958
  N      -2.608841      3.427169      5.935206
  Mo     -2.340588      1.645106      4.969679
  N      -2.977801      0.652761      6.649894
  C      -1.929242      0.508412      7.651452
  C      -0.963487      1.686925      7.624846
  N      -0.488965      1.975111      6.236939
  C      -0.126704      3.408014      6.073237
  C      -1.416499      4.268771      5.880122
  C       0.620686      1.053982      5.841729
  C       0.275320      0.429956      4.483204
  N      -1.116072      0.090961      4.525749
  H      -1.356130      4.774685      4.895146
  H      -1.462321      5.066044      6.648334
  H       0.512313      3.478748      5.179479
  H       0.469454      3.736940      6.946387
  H       0.919232     -0.445486      4.298194
  H       0.468143      1.170138      3.683560
  H       0.678988      0.255474      6.592277
  H       1.578151      1.597685      5.841515
  H      -2.331195      0.438088      8.680429
  H      -1.371350     -0.439587      7.479203
  H      -1.473579      2.583471      7.989110
  H      -0.094539      1.499510      8.278291
  C      -3.508535      3.725138      7.038946
  C      -4.224907      5.073661      6.875749
  O      -5.165917      5.041706      5.770100
  C      -4.773210      5.566020      4.584437
  O      -3.664404      6.025339      4.364278
  C      -5.915331      5.542485      3.589414
  N      -6.976658      4.840731      3.951722
  C      -8.025254      4.813122      3.102316
  N      -8.132986      5.434196      1.945422
  C      -7.053347      6.159432      1.549234
  C      -7.117956      6.824040      0.304136
  C      -6.047335      7.556447     -0.142760
  C      -4.878485      7.654602      0.640456
  C      -4.781693      7.021089      1.858349
  C      -5.865282      6.251223      2.348547
  C      -1.559665     -1.271576      4.571061
  C      -2.438841     -1.693509      3.335082
  O      -2.729137     -0.657887      2.368109
  C      -3.535868      0.369261      2.718936
  O      -3.807567      0.551341      3.977531
  C      -4.031122      1.214558      1.674697
  N      -4.958537      2.123587      2.084166
  C      -5.514737      2.895546      1.146897
  N      -5.266946      2.938832     -0.160076
  C      -4.278571      2.096239     -0.592056
  C      -3.913003      2.152987     -1.949466
  C      -2.894464      1.360619     -2.440394
  C      -2.204909      0.489940     -1.578365
  C      -2.549438      0.408078     -0.237139
  C      -3.597272      1.190832      0.291937
  C      -4.097654     -0.240077      6.854475
  C      -5.024254      0.121774      8.011086
  O      -5.745746      1.348883      7.759576
  C      -6.954672      1.219194      7.196123
  O      -7.445127      0.154534      6.861268
  C      -7.662903      2.552929      7.071147
  N      -7.222038      3.540161      7.838408
  C      -7.909591      4.714019      7.800674
  N      -9.010389      4.978404      7.125658
  C      -9.472997      3.980247      6.325803
  C     -10.650115      4.216208      5.583509
  C     -11.124772      3.245637      4.756703
  C     -10.431292      2.014915      4.619539
  C      -9.290462      1.747008      5.332678
  C      -8.796528      2.711977      6.224236
  H      -2.999445      3.799126      8.029477
  H      -4.255263      2.927150      7.125795
  H      -3.511897      5.920654      6.723635
  H      -4.847078      5.254892      7.787055
  H      -8.875781      4.211024      3.423552
  H      -8.031663      6.722981     -0.275906
  H      -6.095619      8.062773     -1.105839
  H      -4.038782      8.240867      0.273209
  H      -3.882314      7.101019      2.456959
  H      -2.166258     -1.454989      5.478476
  H      -0.693392     -1.956733      4.621646
  H      -3.392027     -2.139892      3.674661
  H      -1.901709     -2.436182      2.721937
  H      -6.289598      3.582200      1.505109
  H      -4.460708      2.850278     -2.585672
  H      -2.621923      1.414872     -3.490706
  H      -1.394378     -0.131745     -1.962388
  H      -2.007872     -0.274067      0.414298
  H      -4.689748     -0.290200      5.930435
  H      -3.745691     -1.273348      7.065149
  H      -5.742711     -0.688176      8.181082
  H      -4.468778      0.321145      8.934556
  H      -7.506592      5.520892      8.421448
  H     -11.144718      5.186597      5.689007
  H     -12.028158      3.430128      4.184487
  H     -10.805143      1.271138      3.942277
  H      -8.767305      0.796376      5.232197
  N      -1.799753      2.556398      3.504947
  N      -1.478915      3.215693      2.424982
  H      -1.347496      2.670110      1.581203
  H      -2.009056      4.043553      2.250174
99
Coordinates from ORCA-job orca E -6707.123725341156
  N      -2.630565      3.432006      5.926676
  Mo     -2.344218      1.644232      4.975123
  N      -2.975941      0.643674      6.653473
  C      -1.930578      0.516225      7.661561
  C      -0.979699      1.707994      7.635694
  N      -0.505211      1.994430      6.248846
  C      -0.154602      3.431311      6.074956
  C      -1.441873      4.275444      5.869653
  C       0.615715      1.079696      5.865911
  C       0.281403      0.443291      4.507204
  N      -1.108178      0.094269      4.540798
  H      -1.378931      4.764591      4.893145
  H      -1.490719      5.072175      6.622248
  H       0.478975      3.500998      5.187274
  H       0.432873      3.771497      6.937436
  H       0.934162     -0.431431      4.332451
  H       0.473783      1.180198      3.702119
  H       0.678963      0.285091      6.623072
  H       1.567872      1.634554      5.867470
  H      -2.336367      0.444048      8.688003
  H      -1.358355     -0.425465      7.496647
  H      -1.499960      2.600385      7.994447
  H      -0.110118      1.532577      8.291842
  C      -3.526724      3.745348      7.009164
  C      -4.238040      5.067441      6.802728
  O      -5.190943      5.034622      5.719311
  C      -4.805754      5.558778      4.545278
  O      -3.705918      6.050071      4.329913
  C      -5.940437      5.537176      3.545579
  N      -7.000345      4.820652      3.884524
  C      -8.042641      4.806071      3.025105
  N      -8.145297      5.449862      1.879834
  C      -7.066753      6.190292      1.507997
  C      -7.123539      6.882775      0.276247
  C      -6.051579      7.631939     -0.143244
  C      -4.889706      7.719392      0.654799
  C      -4.801258      7.058571      1.859256
  C      -5.885672      6.271617      2.320854
  C      -1.540393     -1.271722      4.589061
  C      -2.409237     -1.700602      3.354270
  O      -2.699704     -0.670754      2.382615
  C      -3.514331      0.354927      2.723172
  O      -3.796855      0.540838      3.976882
  C      -4.007491      1.198913      1.680089
  N      -4.942760      2.107973      2.089482
  C      -5.505498      2.874621      1.156151
  N      -5.260787      2.915383     -0.148064
  C      -4.266728      2.073108     -0.584150
  C      -3.917817      2.100442     -1.963873
  C      -2.902545      1.291222     -2.470454
  C      -2.202949      0.433007     -1.604083
  C      -2.535542      0.370332     -0.251261
  C      -3.579846      1.167290      0.292644
  C      -4.084108     -0.268843      6.844890
  C      -5.029757      0.058994      8.001524
  O      -5.783520      1.278587      7.773220
  C      -6.994599      1.166237      7.218763
  O      -7.477351      0.129913      6.865877
  C      -7.678166      2.501758      7.128047
  N      -7.220387      3.445191      7.936825
  C      -7.881222      4.623153      7.948888
  N      -8.974298      4.928386      7.287752
  C      -9.451079      3.974643      6.435510
  C     -10.614692      4.256119      5.682503
  C     -11.089000      3.333787      4.765813
  C     -10.413275      2.108301      4.564045
  C      -9.291689      1.795301      5.299499
  C      -8.797394      2.709451      6.271507
  H      -3.011567      3.844419      7.988232
  H      -4.272898      2.961316      7.112163
  H      -3.539789      5.860102      6.625341
  H      -4.827247      5.280048      7.673626
  H      -8.892045      4.192015      3.325276
  H      -8.032904      6.789628     -0.315963
  H      -6.093419      8.160224     -1.096004
  H      -4.047990      8.319275      0.310257
  H      -3.906697      7.130135      2.469247
  H      -2.147746     -1.459149      5.490314
  H      -0.669898     -1.948770      4.644163
  H      -3.355331     -2.147814      3.687704
  H      -1.866433     -2.437067      2.752258
  H      -6.289471      3.539244      1.501698
  H      -4.475003      2.784428     -2.606618
  H      -2.645187      1.320075     -3.540418
  H      -1.395042     -0.198726     -1.997392
  H      -1.989957     -0.309307      0.397606
  H      -4.665608     -0.319097      5.914883
  H      -3.716994     -1.301069      7.049630
  H      -5.731162     -0.772451      8.159166
  H      -4.481022      0.256627      8.927498
  H      -7.460807      5.392506      8.603940
  H     -11.094203      5.222048      5.834108
  H     -11.977269      3.555225      4.173893
  H     -10.783119      1.404430      3.808975
  H      -8.780542      0.849748      5.146177
  N      -1.795779      2.552979      3.509401
  N      -1.458655      3.210591      2.431680
  H      -1.335527      2.650064      1.590131
  H      -1.986212      4.097273      2.261860
99
Coordinates from ORCA-job orca E -6707.124086491450
  N      -2.616191      3.426076      5.903574
  Mo     -2.336029      1.637835      4.955158
  N      -2.964469      0.654430      6.645073
  C      -1.918609      0.527379      7.650452
  C      -0.961956      1.712635      7.612319
  N      -0.491254      1.988147      6.221098
  C      -0.137452      3.423276      6.040183
  C      -1.428699      4.272509      5.846445
  C       0.623426      1.067749      5.838211
  C       0.284455      0.429993      4.482225
  N      -1.105452      0.082417      4.523499
  H      -1.371016      4.772466      4.869197
  H      -1.475442      5.065307      6.609782
  H       0.491140      3.488746      5.146469
  H       0.460833      3.763693      6.900804
  H       0.934536     -0.446169      4.305935
  H       0.476066      1.165893      3.675377
  H       0.682841      0.275686      6.597132
  H       1.577342      1.615995      5.835403
  H      -2.321985      0.466981      8.679516
  H      -1.353674     -0.419801      7.490765
  H      -1.476655      2.610254      7.967394
  H      -0.091582      1.537624      8.266757
  C      -3.519648      3.721069      7.007094
  C      -4.271269      5.062174      6.850395
  O      -5.219168      5.020007      5.762368
  C      -4.826240      5.554800      4.595289
  O      -3.720008      6.030721      4.384974
  C      -5.954529      5.539767      3.586403
  N      -7.035585      4.834356      3.916100
  C      -8.073849      4.833654      3.041045
  N      -8.152337      5.482449      1.888333
  C      -7.050989      6.210592      1.525566
  C      -7.079346      6.905431      0.284658
  C      -5.982822      7.641120     -0.125681
  C      -4.824701      7.712384      0.691070
  C      -4.764463      7.048796      1.904938
  C      -5.873545      6.275056      2.356435
  C      -1.537075     -1.283884      4.588565
  C      -2.422889     -1.723114      3.366439
  O      -2.706033     -0.700340      2.383185
  C      -3.515550      0.336861      2.714942
  O      -3.797474      0.535158      3.967320
  C      -4.010894      1.175854      1.670349
  N      -4.942805      2.096797      2.097945
  C      -5.512125      2.869359      1.175959
  N      -5.276366      2.904077     -0.137452
  C      -4.285695      2.053167     -0.592036
  C      -3.935373      2.111030     -1.954556
  C      -2.911964      1.326498     -2.457496
  C      -2.211302      0.451403     -1.613733
  C      -2.544918      0.356363     -0.279313
  C      -3.589152      1.144180      0.275383
  C      -4.082649     -0.236692      6.866631
  C      -5.001260      0.136814      8.031121
  O      -5.739349      1.361082      7.770909
  C      -6.977233      1.213933      7.232308
  O      -7.487811      0.136459      6.937285
  C      -7.684291      2.545111      7.108951
  N      -7.243571      3.516768      7.899611
  C      -7.932534      4.679726      7.896009
  N      -9.035867      4.947108      7.231157
  C      -9.494309      3.965289      6.396161
  C     -10.667915      4.203771      5.640522
  C     -11.125857      3.248400      4.740861
  C     -10.424760      2.032941      4.560675
  C      -9.293086      1.761211      5.301844
  C      -8.813948      2.710484      6.256106
  H      -3.002553      3.802289      7.991494
  H      -4.259872      2.910286      7.102328
  H      -3.575212      5.923215      6.698883
  H      -4.901239      5.232195      7.756692
  H      -8.940062      4.229226      3.333240
  H      -7.986113      6.824653     -0.321668
  H      -6.003031      8.170293     -1.084338
  H      -3.964323      8.301090      0.354155
  H      -3.873057      7.107376      2.529218
  H      -2.132386     -1.467096      5.498074
  H      -0.664019     -1.958700      4.636057
  H      -3.374323     -2.153146      3.715230
  H      -1.893967     -2.478243      2.767842
  H      -6.287672      3.561692      1.552207
  H      -4.492238      2.810882     -2.577952
  H      -2.646993      1.394121     -3.501412
  H      -1.396874     -0.158146     -2.002224
  H      -1.992177     -0.325385      0.358781
  H      -4.681051     -0.298337      5.946269
  H      -3.725902     -1.267467      7.089025
  H      -5.715064     -0.677142      8.219347
  H      -4.433919      0.351313      8.950204
  H      -7.529411      5.472021      8.537900
  H     -11.167706      5.161914      5.776492
  H     -12.021616      3.436799      4.147843
  H     -10.781480      1.300700      3.818560
  H      -8.762097      0.822996      5.163965
  N      -1.776438      2.539757      3.478697
  N      -1.442702      3.191163      2.391827
  H      -1.320673      2.601963      1.539870
  H      -1.968160      4.091707      2.219355
99
Coordinates from ORCA-job orca E -6707.124134999553
  N      -2.609584      3.430689      5.944747
  Mo     -2.340526      1.651709      4.981178
  N      -2.962765      0.662039      6.665741
  C      -1.909242      0.522170      7.660753
  C      -0.944950      1.699731      7.621210
  N      -0.485304      1.983132      6.226988
  C      -0.124219      3.415036      6.056009
  C      -1.419211      4.274515      5.885730
  C       0.622857      1.063991      5.825935
  C       0.270519      0.443180      4.469487
  N      -1.119906      0.100005      4.519445
  H      -1.371357      4.790326      4.906141
  H      -1.458917      5.061724      6.663132
  H       0.497477      3.481900      5.148923
  H       0.491846      3.743570      6.919020
  H       0.913621     -0.429861      4.278706
  H       0.458612      1.185539      3.671785
  H       0.684611      0.265918      6.575427
  H       1.579204      1.607970      5.819520
  H      -2.305348      0.456636      8.692621
  H      -1.353288     -0.426416      7.488597
  H      -1.451502      2.597142      7.988573
  H      -0.069195      1.513880      8.265754
  C      -3.503640      3.736367      7.044548
  C      -4.210290      5.079767      6.874708
  O      -5.156875      5.054591      5.782961
  C      -4.768659      5.568923      4.610669
  O      -3.661800      6.019324      4.392683
  C      -5.908507      5.558260      3.612116
  N      -6.983779      4.852418      3.951379
  C      -8.028549      4.846213      3.086379
  N      -8.118570      5.493519      1.934391
  C      -7.024316      6.225087      1.564040
  C      -7.070012      6.923699      0.329382
  C      -5.983701      7.666204     -0.086241
  C      -4.817854      7.739895      0.717847
  C      -4.740240      7.071987      1.925266
  C      -5.840054      6.292547      2.382727
  C      -1.553868     -1.264937      4.581883
  C      -2.467105     -1.690962      3.369809
  O      -2.755645     -0.664475      2.395902
  C      -3.555816      0.369584      2.741639
  O      -3.822745      0.562139      4.001959
  C      -4.055276      1.205019      1.694598
  N      -4.984968      2.106268      2.101544
  C      -5.557055      2.854179      1.152124
  N      -5.326583      2.874570     -0.170948
  C      -4.334410      2.043959     -0.598248
  C      -3.994525      2.070881     -1.980954
  C      -2.976902      1.284847     -2.476090
  C      -2.262820      0.453044     -1.591015
  C      -2.583309      0.398383     -0.226231
  C      -3.632151      1.167840      0.303041
  C      -4.073884     -0.237723      6.886813
  C      -4.991915      0.131883      8.050606
  O      -5.720811      1.355501      7.783916
  C      -6.940460      1.198508      7.226766
  O      -7.440095      0.107301      6.930895
  C      -7.655601      2.529261      7.071032
  N      -7.225116      3.525670      7.836793
  C      -7.920850      4.693323      7.771132
  N      -9.018599      4.943387      7.064112
  C      -9.469557      3.936667      6.262886
  C     -10.642055      4.158645      5.480892
  C     -11.104596      3.180041      4.643760
  C     -10.404768      1.956317      4.535566
  C      -9.268751      1.700847      5.291398
  C      -8.786009      2.674225      6.193878
  H      -2.988079      3.813822      8.031088
  H      -4.256300      2.944837      7.133075
  H      -3.498631      5.909378      6.719598
  H      -4.818504      5.268718      7.774563
  H      -8.888202      4.238733      3.384746
  H      -7.981746      6.841837     -0.266063
  H      -6.018230      8.199344     -1.038276
  H      -3.967252      8.334920      0.377039
  H      -3.844880      7.134450      2.542204
  H      -2.132424     -1.455952      5.504935
  H      -0.679494     -1.941454      4.606112
  H      -3.420008     -2.114529      3.731553
  H      -1.954592     -2.449057      2.758855
  H      -6.333126      3.534578      1.508559
  H      -4.562448      2.737332     -2.634966
  H      -2.727280      1.309642     -3.552846
  H      -1.453470     -0.163341     -1.976936
  H      -2.025361     -0.259625      0.437102
  H      -4.675142     -0.298695      5.968841
  H      -3.711423     -1.266611      7.102464
  H      -5.707638     -0.678959      8.234819
  H      -4.428129      0.344126      8.970074
  H      -7.527333      5.509191      8.386980
  H     -11.141534      5.124337      5.562931
  H     -12.003445      3.355072      4.039002
  H     -10.767424      1.205558      3.846484
  H      -8.741154      0.755756      5.210976
  N      -1.817451      2.567492      3.517213
  N      -1.515928      3.229432      2.435218
  H      -1.393400      2.690918      1.582112
  H      -2.055024      4.052536      2.268178
99
Coordinates from ORCA-job orca E -6707.126024861388
  N      -2.617983      3.433639      5.944700
  Mo     -2.349439      1.652125      4.977714
  N      -2.969053      0.650329      6.661303
  C      -1.916935      0.518371      7.661935
  C      -0.957296      1.703036      7.627815
  N      -0.492779      1.986789      6.236013
  C      -0.134532      3.419536      6.057747
  C      -1.427587      4.275025      5.887408
  C       0.615743      1.066903      5.835855
  C       0.265716      0.444629      4.476550
  N      -1.125039      0.099211      4.520103
  H      -1.377327      4.789603      4.913724
  H      -1.465868      5.058625      6.661441
  H       0.482134      3.485387      5.147987
  H       0.482032      3.755526      6.913153
  H       0.912718     -0.428505      4.287385
  H       0.452876      1.187217      3.676985
  H       0.677540      0.267506      6.586835
  H       1.572821      1.612325      5.832476
  H      -2.315762      0.449612      8.692300
  H      -1.352435     -0.427294      7.494368
  H      -1.468305      2.599203      7.991620
  H      -0.083427      1.521192      8.276885
  C      -3.512387      3.738758      7.038138
  C      -4.226098      5.070865      6.852934
  O      -5.171121      5.041531      5.757688
  C      -4.778762      5.598129      4.580332
  O      -3.676978      6.109273      4.370943
  C      -5.910390      5.571334      3.574543
  N      -6.973359      4.863714      3.921802
  C      -8.016809      4.844380      3.065259
  N      -8.116918      5.476222      1.913409
  C      -7.034562      6.205411      1.531468
  C      -7.089016      6.879612      0.290862
  C      -6.013829      7.615024     -0.141899
  C      -4.850615      7.706587      0.651502
  C      -4.764006      7.063800      1.865299
  C      -5.852404      6.290976      2.340992
  C      -1.554010     -1.267173      4.583566
  C      -2.473204     -1.694579      3.376972
  O      -2.754983     -0.671869      2.393185
  C      -3.550332      0.366493      2.736041
  O      -3.819949      0.560693      3.995252
  C      -4.043410      1.210177      1.689476
  N      -4.965248      2.123841      2.097861
  C      -5.523632      2.894295      1.162413
  N      -5.282999      2.936355     -0.138115
  C      -4.301905      2.086486     -0.572562
  C      -3.947234      2.132202     -1.932153
  C      -2.940178      1.321403     -2.433812
  C      -2.253024      0.442337     -1.582121
  C      -2.587002      0.370915     -0.238992
  C      -3.621674      1.174607      0.302742
  C      -4.078853     -0.255494      6.866885
  C      -5.010798      0.094379      8.023765
  O      -5.749103      1.313151      7.769018
  C      -6.965036      1.174771      7.219780
  O      -7.456018      0.109730      6.898508
  C      -7.664976      2.508014      7.085337
  N      -7.228454      3.484750      7.860241
  C      -7.912929      4.656836      7.826223
  N      -9.009947      4.926717      7.154149
  C      -9.465033      3.939820      6.340545
  C     -10.632985      4.181799      5.586771
  C     -11.086171      3.225063      4.713277
  C     -10.382479      2.003019      4.549080
  C      -9.255791      1.727536      5.286204
  C      -8.784199      2.677550      6.221227
  H      -2.996705      3.825709      8.020875
  H      -4.259411      2.949418      7.135659
  H      -3.522566      5.884937      6.689588
  H      -4.828951      5.267763      7.738187
  H      -8.869710      4.239128      3.374689
  H      -7.998522      6.782749     -0.297655
  H      -6.053846      8.128197     -1.101891
  H      -4.006550      8.294618      0.295257
  H      -3.868000      7.137121      2.470616
  H      -2.127482     -1.460752      5.511184
  H      -0.677867     -1.941331      4.603726
  H      -3.430340     -2.106709      3.744820
  H      -1.969049     -2.464320      2.770358
  H      -6.296628      3.571078      1.509702
  H      -4.493538      2.834051     -2.562761
  H      -2.675790      1.367530     -3.486366
  H      -1.451626     -0.193633     -1.975130
  H      -2.046732     -0.316456      0.405134
  H      -4.670264     -0.312775      5.942779
  H      -3.715067     -1.285729      7.077973
  H      -5.719025     -0.726631      8.196860
  H      -4.456058      0.303310      8.946041
  H      -7.510104      5.455737      8.449222
  H     -11.133738      5.146231      5.707476
  H     -11.978669      3.415486      4.121893
  H     -10.735387      1.271578      3.825141
  H      -8.724180      0.783362      5.163757
  N      -1.811000      2.564177      3.512745
  N      -1.481383      3.224324      2.434533
  H      -1.382807      2.650134      1.581516
  H      -2.012716      4.083573      2.271102
99
Coordinates from ORCA-job orca E -6707.125075850421
  N      -2.629634      3.436830      5.913212
  Mo     -2.346549      1.655210      4.951992
  N      -2.969854      0.656827      6.636004
  C      -1.923726      0.532368      7.642275
  C      -0.971487      1.722051      7.608194
  N      -0.504682      2.002529      6.217412
  C      -0.154348      3.438164      6.037795
  C      -1.443737      4.286487      5.865087
  C       0.612170      1.085085      5.831938
  C       0.275909      0.455270      4.470916
  N      -1.113836      0.104280      4.504548
  H      -1.389751      4.803414      4.899139
  H      -1.488267      5.064312      6.641909
  H       0.459809      3.506438      5.138406
  H       0.451989      3.775754      6.887807
  H       0.929914     -0.418441      4.288831
  H       0.464157      1.197490      3.668743
  H       0.671948      0.287967      6.586643
  H       1.565977      1.635434      5.835238
  H      -2.327939      0.466554      8.669829
  H      -1.353806     -0.411568      7.480809
  H      -1.488653      2.616789      7.966292
  H      -0.099233      1.547420      8.260112
  C      -3.534447      3.728041      7.011094
  C      -4.275434      5.064819      6.844563
  O      -5.215968      5.029122      5.748526
  C      -4.820117      5.541813      4.587334
  O      -3.716622      6.004734      4.388303
  C      -5.946415      5.531362      3.581020
  N      -7.018414      4.827351      3.913699
  C      -8.053299      4.821195      3.044069
  N      -8.138367      5.464530      1.896827
  C      -7.047127      6.192423      1.531776
  C      -7.085406      6.883493      0.297797
  C      -6.000845      7.620609     -0.115493
  C      -4.844007      7.695854      0.690850
  C      -4.773187      7.035494      1.897627
  C      -5.871314      6.261479      2.353463
  C      -1.534334     -1.265446      4.581583
  C      -2.449797     -1.704487      3.384395
  O      -2.722847     -0.692866      2.388762
  C      -3.523204      0.355508      2.711838
  O      -3.808797      0.560668      3.957988
  C      -4.000741      1.196255      1.661462
  N      -4.920140      2.138281      2.075574
  C      -5.476066      2.903811      1.137447
  N      -5.241392      2.906777     -0.184625
  C      -4.258458      2.040153     -0.620548
  C      -3.911426      2.051098     -2.001279
  C      -2.893035      1.250282     -2.483773
  C      -2.194385      0.404047     -1.601507
  C      -2.531712      0.343214     -0.258370
  C      -3.573774      1.143840      0.270837
  C      -4.079054     -0.251418      6.840126
  C      -5.013108      0.087799      8.005275
  O      -5.771379      1.307641      7.769641
  C      -7.008377      1.181703      7.243243
  O      -7.514686      0.131540      6.927525
  C      -7.698818      2.515502      7.145498
  N      -7.258156      3.460601      7.966100
  C      -7.931326      4.628183      7.982279
  N      -9.019454      4.921320      7.310063
  C      -9.475078      3.966892      6.440547
  C     -10.629626      4.235524      5.668701
  C     -11.082671      3.310054      4.738105
  C     -10.395996      2.094537      4.544570
  C      -9.283475      1.793346      5.297891
  C      -8.810059      2.711512      6.280477
  H      -3.021820      3.808610      7.997036
  H      -4.273496      2.923095      7.100780
  H      -3.579258      5.908333      6.694174
  H      -4.899937      5.240067      7.739400
  H      -8.912791      4.217404      3.339320
  H      -7.991280      6.799480     -0.300923
  H      -6.029057      8.148263     -1.069341
  H      -3.992540      8.286253      0.351254
  H      -3.883019      7.098589      2.514544
  H      -2.103261     -1.458921      5.505597
  H      -0.654859     -1.932244      4.602650
  H      -3.403182     -2.105275      3.753788
  H      -1.946853     -2.481052      2.795245
  H      -6.243028      3.609583      1.500283
  H      -4.466036      2.729708     -2.654052
  H      -2.630635      1.280632     -3.543272
  H      -1.381754     -0.214618     -1.971459
  H      -1.985046     -0.325007      0.404173
  H      -4.668916     -0.305556      5.914591
  H      -3.711029     -1.283108      7.048702
  H      -5.714247     -0.741608      8.177592
  H      -4.454013      0.293157      8.927219
  H      -7.529766      5.397744      8.657176
  H     -11.118542      5.193368      5.816382
  H     -11.963475      3.521876      4.131897
  H     -10.749326      1.388129      3.780920
  H      -8.763762      0.855031      5.149692
  N      -1.795135      2.569341      3.483910
  N      -1.455847      3.230424      2.401025
  H      -1.341653      2.680346      1.563589
  H      -1.995185      4.114406      2.227059
99
Coordinates from ORCA-job orca E -6707.127286561839
  N      -2.617264      3.433793      5.938183
  Mo     -2.343647      1.655307      4.974249
  N      -2.955188      0.660852      6.663600
  C      -1.900627      0.532590      7.659922
  C      -0.941885      1.715896      7.614291
  N      -0.488969      1.993952      6.217167
  C      -0.134292      3.427200      6.033390
  C      -1.430410      4.282521      5.885396
  C       0.620677      1.075078      5.817279
  C       0.268816      0.454145      4.459396
  N      -1.121099      0.103700      4.506614
  H      -1.388495      4.812844      4.919648
  H      -1.467007      5.053625      6.674167
  H       0.465903      3.491412      5.116327
  H       0.495509      3.761435      6.878055
  H       0.917348     -0.416804      4.266289
  H       0.451540      1.198858      3.661528
  H       0.683518      0.276502      6.567455
  H       1.576280      1.620957      5.811765
  H      -2.296132      0.470833      8.692198
  H      -1.338548     -0.414599      7.494368
  H      -1.450119      2.613359      7.979126
  H      -0.063074      1.536344      8.256498
  C      -3.520224      3.729089      7.033160
  C      -4.250226      5.066522      6.868740
  O      -5.193311      5.038878      5.775699
  C      -4.800673      5.584334      4.612884
  O      -3.696887      6.063904      4.411219
  C      -5.927715      5.574436      3.600226
  N      -7.013050      4.875588      3.927262
  C      -8.050114      4.880477      3.050752
  N      -8.122201      5.528199      1.896929
  C      -7.016024      6.249331      1.536532
  C      -7.039374      6.945416      0.296929
  C      -5.939235      7.676709     -0.109289
  C      -4.782088      7.742055      0.710163
  C      -4.726684      7.077022      1.922737
  C      -5.840146      6.308274      2.370341
  C      -1.540159     -1.265542      4.586703
  C      -2.487118     -1.698744      3.404287
  O      -2.762436     -0.686982      2.410084
  C      -3.554278      0.361006      2.743220
  O      -3.825296      0.565213      3.997944
  C      -4.046028      1.198557      1.695286
  N      -4.966088      2.118246      2.107783
  C      -5.535097      2.878566      1.172154
  N      -5.310089      2.900752     -0.140689
  C      -4.330772      2.047357     -0.581345
  C      -3.998144      2.071368     -1.958680
  C      -2.993317      1.261845     -2.466247
  C      -2.287877      0.405893     -1.603275
  C      -2.601974      0.351102     -0.247330
  C      -3.634769      1.150837      0.300473
  C      -4.062045     -0.244027      6.884350
  C      -4.987706      0.120249      8.043812
  O      -5.729446      1.338296      7.778706
  C      -6.948836      1.185920      7.230858
  O      -7.442517      0.109128      6.930990
  C      -7.665125      2.512699      7.093111
  N      -7.254063      3.493194      7.895112
  C      -7.957314      4.653254      7.861935
  N      -9.046750      4.908538      7.154790
  C      -9.474753      3.917623      6.311758
  C     -10.635508      4.143200      5.523107
  C     -11.069858      3.178557      4.641841
  C     -10.353821      1.966915      4.501421
  C      -9.230816      1.708028      5.264376
  C      -8.778284      2.665939      6.206916
  H      -3.007859      3.807981      8.019392
  H      -4.264951      2.927608      7.118744
  H      -3.550079      5.906111      6.721623
  H      -4.868461      5.242033      7.763960
  H      -8.920572      4.281789      3.341946
  H      -7.945543      6.869716     -0.311072
  H      -5.955779      8.207402     -1.066295
  H      -3.919363      8.328056      0.376760
  H      -3.837064      7.132443      2.550711
  H      -2.087979     -1.465452      5.525411
  H      -0.657826     -1.930969      4.583672
  H      -3.443364     -2.085366      3.791955
  H      -2.005566     -2.485732      2.806352
  H      -6.302067      3.568901      1.532460
  H      -4.558760      2.755129     -2.598117
  H      -2.747549      1.290397     -3.533485
  H      -1.488493     -0.227015     -1.998809
  H      -2.049821     -0.322041      0.401752
  H      -4.658314     -0.311071      5.963689
  H      -3.694676     -1.270436      7.105216
  H      -5.696251     -0.697485      8.226528
  H      -4.428677      0.338742      8.964341
  H      -7.579142      5.455102      8.511810
  H     -11.148411      5.099203      5.632588
  H     -11.959094      3.356002      4.032903
  H     -10.694265      1.228563      3.780811
  H      -8.690208      0.771829      5.159918
  N      -1.811027      2.569870      3.506689
  N      -1.490680      3.231085      2.423103
  H      -1.405844      2.652639      1.561686
  H      -2.031630      4.099246      2.262479
99
Coordinates from ORCA-job orca E -6707.125935639729
  N      -2.620766      3.436653      5.951814
  Mo     -2.356008      1.661320      4.972235
  N      -2.961861      0.659782      6.660578
  C      -1.905698      0.530643      7.656376
  C      -0.945650      1.713457      7.612131
  N      -0.492590      1.993479      6.216559
  C      -0.136134      3.425220      6.035193
  C      -1.432081      4.282703      5.897050
  C       0.611354      1.073303      5.807677
  C       0.254051      0.460006      4.445826
  N      -1.136124      0.110819      4.492351
  H      -1.392103      4.819569      4.933198
  H      -1.464469      5.049880      6.689785
  H       0.461240      3.491575      5.115291
  H       0.497525      3.757104      6.878400
  H       0.901731     -0.410263      4.245604
  H       0.434367      1.209656      3.651338
  H       0.673709      0.269833      6.554055
  H       1.569771      1.615426      5.803176
  H      -2.299761      0.466342      8.689191
  H      -1.344043     -0.416986      7.489607
  H      -1.453052      2.610979      7.977708
  H      -0.067363      1.532056      8.254701
  C      -3.516093      3.736589      7.049416
  C      -4.226897      5.072581      6.872645
  O      -5.169226      5.049449      5.777084
  C      -4.776794      5.609012      4.606261
  O      -3.676861      6.119609      4.401128
  C      -5.906628      5.590413      3.597635
  N      -6.979606      4.890116      3.939553
  C      -8.022533      4.883806      3.079015
  N      -8.112863      5.523564      1.927524
  C      -7.020020      6.246029      1.551678
  C      -7.063908      6.929712      0.313246
  C      -5.977304      7.658323     -0.112439
  C      -4.812412      7.732089      0.685093
  C      -4.736178      7.079076      1.896658
  C      -5.837188      6.314890      2.365695
  C      -1.551922     -1.259041      4.579855
  C      -2.525093     -1.692772      3.413646
  O      -2.799861     -0.688141      2.409107
  C      -3.578093      0.368046      2.740795
  O      -3.840737      0.581841      4.003905
  C      -4.060125      1.207213      1.685221
  N      -4.966572      2.147757      2.093358
  C      -5.515025      2.915151      1.148998
  N      -5.280620      2.923892     -0.165753
  C      -4.312376      2.049969     -0.597657
  C      -3.955746      2.078233     -1.957216
  C      -2.952293      1.260745     -2.443077
  C      -2.269950      0.394154     -1.573331
  C      -2.605267      0.342055     -0.227403
  C      -3.637689      1.150161      0.296138
  C      -4.063746     -0.252205      6.876983
  C      -4.985702      0.103218      8.041001
  O      -5.727677      1.317971      7.776695
  C      -6.963036      1.160216      7.250373
  O      -7.472611      0.077361      6.967181
  C      -7.668114      2.490983      7.096405
  N      -7.238910      3.476000      7.854889
  C      -7.932492      4.643276      7.801708
  N      -9.030174      4.900556      7.124628
  C      -9.474965      3.906085      6.323772
  C     -10.638117      4.136023      5.551121
  C     -11.068716      3.174777      4.659791
  C     -10.349616      1.959865      4.501579
  C      -9.232195      1.693832      5.270290
  C      -8.782050      2.649246      6.219844
  H      -2.999978      3.815958      8.034164
  H      -4.265405      2.946890      7.140924
  H      -3.521103      5.888489      6.716126
  H      -4.830761      5.264619      7.759584
  H      -8.883117      4.284911      3.383543
  H      -7.974374      6.846026     -0.278471
  H      -6.009637      8.178962     -1.069447
  H      -3.959744      8.314069      0.334372
  H      -3.839287      7.138205      2.505610
  H      -2.080537     -1.464290      5.533213
  H      -0.667721     -1.922414      4.557241
  H      -3.484611     -2.063145      3.820856
  H      -2.063525     -2.495703      2.814995
  H      -6.272235      3.625832      1.504285
  H      -4.495411      2.776061     -2.598170
  H      -2.685295      1.295835     -3.494051
  H      -1.470688     -0.245913     -1.953077
  H      -2.068097     -0.334566      0.431790
  H      -4.663697     -0.316166      5.958315
  H      -3.691982     -1.279015      7.089876
  H      -5.691963     -0.716899      8.228021
  H      -4.422024      0.321549      8.957693
  H      -7.535639      5.450551      8.405062
  H     -11.148733      5.096283      5.660270
  H     -11.953340      3.357989      4.042397
  H     -10.680223      1.225766      3.751474
  H      -8.687807      0.755579      5.149627
  N      -1.831705      2.577456      3.512120
  N      -1.512033      3.239924      2.433404
  H      -1.417335      2.698776      1.589160
  H      -2.058751      4.065402      2.269576
99
Coordinates from ORCA-job orca E -6707.128054190888
  N      -2.623241      3.442370      5.949471
  Mo     -2.356065      1.668220      4.970286
  N      -2.962114      0.660989      6.656871
  C      -1.907929      0.533988      7.654787
  C      -0.950894      1.719346      7.614526
  N      -0.496406      2.000717      6.219757
  C      -0.141748      3.433020      6.036615
  C      -1.435698      4.289449      5.902103
  C       0.609854      1.081717      5.813373
  C       0.257840      0.472708      4.450236
  N      -1.131978      0.119724      4.490994
  H      -1.394577      4.831212      4.943441
  H      -1.468385      5.050864      6.698915
  H       0.450445      3.498805      5.114837
  H       0.493941      3.766484      6.875257
  H       0.908805     -0.394810      4.248746
  H       0.437383      1.224630      3.658906
  H       0.670118      0.277040      6.557548
  H       1.567718      1.624485      5.813580
  H      -2.304397      0.467688      8.685827
  H      -1.342543     -0.411514      7.488869
  H      -1.460851      2.615550      7.979615
  H      -0.073231      1.539106      8.257980
  C      -3.525528      3.735507      7.044387
  C      -4.245266      5.074320      6.878221
  O      -5.179053      5.051171      5.772399
  C      -4.778993      5.594221      4.608935
  O      -3.675599      6.079273      4.416507
  C      -5.903834      5.581573      3.597558
  N      -6.976340      4.882372      3.935344
  C      -8.011750      4.871260      3.068110
  N      -8.096395      5.506303      1.916314
  C      -7.004574      6.228358      1.545039
  C      -7.043476      6.906960      0.305642
  C      -5.958827      7.635827     -0.116531
  C      -4.800717      7.714796      0.686060
  C      -4.729010      7.066768      1.898676
  C      -5.828044      6.301793      2.364294
  C      -1.540115     -1.251781      4.576778
  C      -2.514021     -1.682289      3.416357
  O      -2.784662     -0.679474      2.411336
  C      -3.566080      0.375034      2.740721
  O      -3.834014      0.583833      3.994278
  C      -4.049521      1.214273      1.689032
  N      -4.959796      2.143333      2.093330
  C      -5.518277      2.902980      1.148330
  N      -5.290935      2.915211     -0.163952
  C      -4.318091      2.054667     -0.591773
  C      -3.979444      2.065471     -1.967111
  C      -2.978671      1.247745     -2.458743
  C      -2.284356      0.392075     -1.585064
  C      -2.607731      0.344848     -0.234850
  C      -3.635253      1.157245      0.298698
  C      -4.063449     -0.254474      6.866364
  C      -4.995205      0.090147      8.028452
  O      -5.745475      1.306035      7.773571
  C      -6.974076      1.159775      7.242686
  O      -7.473119      0.089987      6.942840
  C      -7.675132      2.490734      7.103309
  N      -7.255450      3.461662      7.899274
  C      -7.944882      4.627135      7.864643
  N      -9.031016      4.894208      7.170720
  C      -9.466005      3.913967      6.332149
  C     -10.620206      4.153677      5.551700
  C     -11.052133      3.203660      4.655595
  C     -10.340845      1.991558      4.495073
  C      -9.228105      1.717333      5.257742
  C      -8.779006      2.660106      6.215921
  H      -3.016440      3.809941      8.033396
  H      -4.270613      2.939280      7.126757
  H      -3.540170      5.907037      6.735367
  H      -4.865840      5.251553      7.770802
  H      -8.870892      4.271127      3.368485
  H      -7.949376      6.819307     -0.290055
  H      -5.987486      8.153173     -1.074737
  H      -3.949353      8.297783      0.338517
  H      -3.837921      7.132426      2.512197
  H      -2.062555     -1.464156      5.528867
  H      -0.652778     -1.910195      4.547156
  H      -3.472198     -2.043786      3.823379
  H      -2.056611     -2.488476      2.824156
  H      -6.281317      3.592764      1.494127
  H      -4.530856      2.749720     -2.615020
  H      -2.725776      1.268914     -3.522001
  H      -1.486960     -0.245752     -1.967907
  H      -2.063953     -0.328431      0.423160
  H      -4.657555     -0.316575      5.943866
  H      -3.689253     -1.282314      7.077135
  H      -5.697619     -0.735642      8.205903
  H      -4.438033      0.303709      8.949394
  H      -7.558755      5.421237      8.510060
  H     -11.127024      5.110736      5.669966
  H     -11.933357      3.393162      4.043773
  H     -10.676154      1.266484      3.753465
  H      -8.691566      0.780299      5.138512
  N      -1.824666      2.588281      3.506947
  N      -1.494963      3.253763      2.426771
  H      -1.418320      2.683124      1.573050
  H      -2.039922      4.111839      2.266985
99
Coordinates from ORCA-job orca E -6707.127072373464
  N      -2.616325      3.440379      5.937569
  Mo     -2.350067      1.666672      4.966313
  N      -2.949623      0.669834      6.660235
  C      -1.892160      0.547669      7.654805
  C      -0.931516      1.730130      7.598109
  N      -0.488994      2.000560      6.195876
  C      -0.131962      3.431849      5.998973
  C      -1.430739      4.289331      5.884227
  C       0.614288      1.077473      5.790819
  C       0.254842      0.458757      4.430945
  N      -1.135946      0.109147      4.481899
  H      -1.401833      4.838514      4.929297
  H      -1.457518      5.042869      6.687726
  H       0.443839      3.490578      5.062169
  H       0.525254      3.767672      6.827040
  H       0.901597     -0.414781      4.231901
  H       0.435133      1.206684      3.631484
  H       0.676184      0.277217      6.542561
  H       1.572411      1.620075      5.782163
  H      -2.284200      0.492253      8.689338
  H      -1.331556     -0.401545      7.493549
  H      -1.435239      2.630439      7.962933
  H      -0.048195      1.552030      8.234897
  C      -3.517648      3.731637      7.033299
  C      -4.257889      5.062173      6.864393
  O      -5.203851      5.031940      5.779482
  C      -4.814056      5.596781      4.624752
  O      -3.716458      6.104963      4.431160
  C      -5.933848      5.588958      3.604994
  N      -7.022140      4.888711      3.919087
  C      -8.054288      4.902536      3.035719
  N      -8.117970      5.558432      1.886153
  C      -7.008429      6.280352      1.538756
  C      -7.022168      6.985400      0.304078
  C      -5.917936      7.718261     -0.088208
  C      -4.766625      7.776876      0.741141
  C      -4.720883      7.103255      1.949029
  C      -5.838151      6.332055      2.381920
  C      -1.546774     -1.263781      4.589554
  C      -2.549275     -1.704387      3.453399
  O      -2.805983     -0.713867      2.430951
  C      -3.576765      0.361459      2.746998
  O      -3.848592      0.592173      4.001498
  C      -4.049381      1.196269      1.687992
  N      -4.953924      2.149768      2.096254
  C      -5.508353      2.910531      1.152782
  N      -5.283690      2.901040     -0.166979
  C      -4.317814      2.016409     -0.602979
  C      -3.977861      2.021455     -1.976512
  C      -2.974761      1.202289     -2.462168
  C      -2.281374      0.349807     -1.584964
  C      -2.605918      0.307438     -0.237360
  C      -3.634895      1.122521      0.292266
  C      -4.050651     -0.241741      6.882765
  C      -4.979475      0.116797      8.041063
  O      -5.730751      1.329621      7.774835
  C      -6.949768      1.173943      7.232188
  O      -7.436999      0.101658      6.932161
  C      -7.672360      2.496473      7.099437
  N      -7.283370      3.471607      7.927450
  C      -7.999444      4.623808      7.909712
  N      -9.081904      4.875341      7.193059
  C      -9.485837      3.890001      6.322133
  C     -10.638639      4.111009      5.524126
  C     -11.050419      3.150893      4.626762
  C     -10.319854      1.948422      4.480613
  C      -9.203730      1.693938      5.248036
  C      -8.774331      2.647149      6.204361
  H      -2.999246      3.813433      8.015294
  H      -4.259622      2.928625      7.124128
  H      -3.566260      5.894173      6.712194
  H      -4.870033      5.240088      7.750016
  H      -8.928856      4.303877      3.317113
  H      -7.924595      6.915084     -0.311798
  H      -5.926849      8.255822     -1.041588
  H      -3.900353      8.364617      0.419214
  H      -3.835962      7.154557      2.585150
  H      -2.048391     -1.470913      5.554944
  H      -0.660791     -1.922263      4.542152
  H      -3.511276     -2.036241      3.883737
  H      -2.116472     -2.535437      2.870364
  H      -6.258019      3.641366      1.519951
  H      -4.526755      2.706682     -2.625212
  H      -2.719277      1.224648     -3.519705
  H      -1.481369     -0.285794     -1.960217
  H      -2.060876     -0.359829      0.425673
  H      -4.646353     -0.313145      5.962216
  H      -3.676581     -1.265352      7.104751
  H      -5.682366     -0.706278      8.223716
  H      -4.422480      0.340171      8.961535
  H      -7.641758      5.420585      8.587926
  H     -11.165026      5.059341      5.644068
  H     -11.934765      3.324216      4.015675
  H     -10.644702      1.214313      3.755313
  H      -8.652428      0.764234      5.139589
  N      -1.819454      2.583018      3.500819
  N      -1.494714      3.245663      2.416179
  H      -1.419407      2.681934      1.564248
  H      -2.042120      4.115925      2.255905
99
Coordinates from ORCA-job orca E -6707.128551063812
  N      -2.622515      3.438992      5.950473
  Mo     -2.352840      1.670164      4.968042
  N      -2.951829      0.664628      6.657130
  C      -1.894903      0.537558      7.650902
  C      -0.936396      1.720327      7.602582
  N      -0.493900      1.999970      6.203614
  C      -0.141777      3.432863      6.018567
  C      -1.436725      4.290906      5.910534
  C       0.612394      1.082257      5.792998
  C       0.256285      0.479769      4.428645
  N      -1.133285      0.122581      4.471326
  H      -1.403075      4.852642      4.962546
  H      -1.466020      5.036261      6.725123
  H       0.432204      3.499083      5.088843
  H       0.507546      3.761973      6.845467
  H       0.908166     -0.384979      4.219114
  H       0.430739      1.236812      3.641621
  H       0.673750      0.275069      6.533814
  H       1.570167      1.625083      5.792877
  H      -2.288118      0.475980      8.683748
  H      -1.333323     -0.409896      7.485045
  H      -1.441902      2.617368      7.971958
  H      -0.053431      1.538987      8.238175
  C      -3.531470      3.726134      7.041614
  C      -4.258651      5.063887      6.880635
  O      -5.193202      5.043264      5.778888
  C      -4.796164      5.601857      4.623807
  O      -3.695555      6.092952      4.436293
  C      -5.916447      5.594363      3.604481
  N      -7.004095      4.902960      3.930098
  C      -8.036523      4.909390      3.051701
  N      -8.102405      5.551685      1.897015
  C      -6.993716      6.264803      1.537309
  C      -7.010381      6.952950      0.295556
  C      -5.907514      7.675206     -0.111565
  C      -4.754332      7.739598      0.709587
  C      -4.705401      7.082531      1.924611
  C      -5.821697      6.322318      2.373103
  C      -1.531025     -1.251697      4.569816
  C      -2.545658     -1.681548      3.443781
  O      -2.807999     -0.692271      2.424548
  C      -3.579104      0.375284      2.745183
  O      -3.845324      0.593624      3.995723
  C      -4.055290      1.213025      1.689977
  N      -4.957498      2.157698      2.092057
  C      -5.509870      2.922573      1.151366
  N      -5.284691      2.926375     -0.157773
  C      -4.323659      2.043778     -0.591345
  C      -3.988146      2.045937     -1.964872
  C      -2.999875      1.205198     -2.464714
  C      -2.311281      0.344348     -1.593999
  C      -2.626114      0.316457     -0.237431
  C      -3.645044      1.143394      0.298359
  C      -4.053530     -0.245500      6.879419
  C      -4.975658      0.113414      8.043757
  O      -5.724893      1.327045      7.780760
  C      -6.957759      1.169183      7.257106
  O      -7.460968      0.092514      6.975447
  C      -7.677356      2.492308      7.120670
  N      -7.279754      3.470785      7.921532
  C      -7.992893      4.624700      7.888624
  N      -9.078537      4.874351      7.182637
  C      -9.488575      3.886041      6.335380
  C     -10.637562      4.106830      5.529283
  C     -11.039341      3.148553      4.616693
  C     -10.305284      1.947152      4.470814
  C      -9.198788      1.690769      5.261462
  C      -8.777735      2.642948      6.227402
  H      -3.024576      3.798178      8.031107
  H      -4.275839      2.924736      7.116956
  H      -3.556807      5.902034      6.744158
  H      -4.881589      5.233891      7.772261
  H      -8.909456      4.317413      3.342999
  H      -7.913772      6.877963     -0.313824
  H      -5.918744      8.199564     -1.070814
  H      -3.889095      8.318573      0.375288
  H      -3.819057      7.138321      2.554160
  H      -2.016384     -1.476222      5.537835
  H      -0.640168     -1.901816      4.502407
  H      -3.502705     -2.005642      3.879380
  H      -2.123302     -2.512036      2.862145
  H      -6.260611      3.638221      1.506302
  H      -4.534002      2.735664     -2.609910
  H      -2.753145      1.214100     -3.531221
  H      -1.524907     -0.314047     -1.984761
  H      -2.087515     -0.360010      0.419238
  H      -4.653393     -0.312668      5.960962
  H      -3.679961     -1.270336      7.097151
  H      -5.680016     -0.706893      8.231069
  H      -4.412955      0.334655      8.961074
  H      -7.625899      5.425930      8.536755
  H     -11.163106      5.055937      5.638590
  H     -11.915226      3.324163      3.982529
  H     -10.616593      1.215682      3.716922
  H      -8.642602      0.762593      5.149447
  N      -1.826589      2.593722      3.507849
  N      -1.501568      3.261327      2.426672
  H      -1.436876      2.698114      1.571932
  H      -2.052704      4.118632      2.270771
99
Coordinates from ORCA-job orca E -6707.127603245985
  N      -2.609569      3.462858      5.967663
  Mo     -2.369095      1.693634      4.976738
  N      -2.948421      0.681534      6.673843
  C      -1.884530      0.561278      7.663533
  C      -0.924236      1.744777      7.606101
  N      -0.486309      2.016642      6.203765
  C      -0.127015      3.444692      6.005811
  C      -1.420600      4.305054      5.914465
  C       0.604710      1.089874      5.780310
  C       0.232244      0.493002      4.414498
  N      -1.158561      0.139600      4.466066
  H      -1.395166      4.868863      4.970397
  H      -1.435341      5.044440      6.727743
  H       0.434579      3.503782      5.063877
  H       0.538786      3.779361      6.821737
  H       0.879095     -0.374317      4.195379
  H       0.402851      1.253093      3.626673
  H       0.663775      0.279345      6.520847
  H       1.568448      1.623117      5.773795
  H      -2.270752      0.500713      8.699688
  H      -1.321605     -0.386852      7.499293
  H      -1.426381      2.645154      7.972648
  H      -0.039300      1.564923      8.240469
  C      -3.503140      3.753814      7.071170
  C      -4.214195      5.097837      6.914647
  O      -5.142974      5.086317      5.803368
  C      -4.740684      5.646650      4.644744
  O      -3.639601      6.146204      4.463190
  C      -5.860358      5.637700      3.628296
  N      -6.934809      4.941287      3.962175
  C      -7.967449      4.933084      3.093103
  N      -8.047941      5.570373      1.943442
  C      -6.954128      6.288669      1.575876
  C      -6.989526      6.967912      0.339172
  C      -5.902977      7.692265     -0.080586
  C      -4.745869      7.765056      0.721485
  C      -4.677313      7.116211      1.931898
  C      -5.779294      6.357157      2.396095
  C      -1.550760     -1.236091      4.583881
  C      -2.607253     -1.670035      3.493066
  O      -2.868398     -0.696601      2.455162
  C      -3.617508      0.384618      2.773514
  O      -3.868922      0.624122      4.035170
  C      -4.095435      1.215518      1.711024
  N      -4.985217      2.164416      2.116350
  C      -5.544229      2.911659      1.157861
  N      -5.336110      2.888982     -0.169427
  C      -4.377105      2.016681     -0.590568
  C      -4.049911      2.004730     -1.969436
  C      -3.056423      1.184512     -2.445665
  C      -2.362878      0.338393     -1.560698
  C      -2.679651      0.304726     -0.212037
  C      -3.695248      1.130889      0.313558
  C      -4.034467     -0.252790      6.885279
  C      -4.977449      0.079324      8.041727
  O      -5.748864      1.281625      7.773198
  C      -6.972047      1.113120      7.241330
  O      -7.453645      0.032401      6.949913
  C      -7.683542      2.437133      7.070422
  N      -7.291733      3.415898      7.865801
  C      -7.992858      4.574150      7.800641
  N      -9.065483      4.826284      7.081433
  C      -9.470129      3.839476      6.243403
  C     -10.609789      4.063976      5.445834
  C     -11.008801      3.108295      4.548531
  C     -10.276284      1.905918      4.398380
  C      -9.177738      1.645266      5.179670
  C      -8.765641      2.593184      6.148824
  H      -2.987823      3.816990      8.060320
  H      -4.251425      2.964152      7.153465
  H      -3.505937      5.928522      6.778990
  H      -4.832141      5.270174      7.809461
  H      -8.829745      4.337436      3.392269
  H      -7.894317      6.884403     -0.256287
  H      -5.929211      8.210098     -1.036646
  H      -3.892835      8.343860      0.375427
  H      -3.786954      7.177468      2.544628
  H      -2.001556     -1.463730      5.573423
  H      -0.660122     -1.883640      4.484622
  H      -3.565629     -1.959149      3.961872
  H      -2.221624     -2.528644      2.917565
  H      -6.296457      3.604325      1.494003
  H      -4.599199      2.682649     -2.626523
  H      -2.806816      1.197638     -3.504588
  H      -1.569769     -0.298085     -1.930980
  H      -2.134154     -0.357809      0.457047
  H      -4.626534     -0.328590      5.962660
  H      -3.643219     -1.274155      7.098949
  H      -5.665819     -0.760253      8.221781
  H      -4.427516      0.308953      8.962888
  H      -7.633336      5.375756      8.447535
  H     -11.131788      5.014554      5.553066
  H     -11.879451      3.286149      3.925812
  H     -10.583826      1.176995      3.650643
  H      -8.627101      0.714720      5.072221
  N      -1.860323      2.612679      3.510849
  N      -1.537149      3.278364      2.428173
  H      -1.491623      2.704633      1.572632
  H      -2.095147      4.119958      2.278534
99
Coordinates from ORCA-job orca E -6707.129559030511
  N      -2.627212      3.452268      5.967913
  Mo     -2.366353      1.689283      4.969157
  N      -2.951136      0.670211      6.657579
  C      -1.891016      0.545034      7.648788
  C      -0.933073      1.728282      7.598917
  N      -0.496310      2.009704      6.198771
  C      -0.142824      3.441589      6.010922
  C      -1.441395      4.303539      5.928613
  C       0.602388      1.090647      5.775690
  C       0.239055      0.503389      4.407894
  N      -1.150233      0.142754      4.450737
  H      -1.416034      4.883016      4.987335
  H      -1.463741      5.035914      6.755930
  H       0.416948      3.508856      5.066206
  H       0.525588      3.767835      6.830671
  H       0.890859     -0.357109      4.185407
  H       0.408603      1.268882      3.628863
  H       0.661101      0.277033      6.509358
  H       1.563610      1.627691      5.776909
  H      -2.280559      0.481209      8.682682
  H      -1.328053     -0.401511      7.481914
  H      -1.437409      2.624880      7.970825
  H      -0.047561      1.546215      8.231243
  C      -3.533443      3.735368      7.062203
  C      -4.256488      5.071895      6.900658
  O      -5.186850      5.052731      5.794091
  C      -4.781477      5.614520      4.641598
  O      -3.679415      6.116843      4.463499
  C      -5.896090      5.606260      3.617852
  N      -6.979598      4.915129      3.944149
  C      -8.007471      4.914028      3.065296
  N      -8.073558      5.550109      1.910710
  C      -6.969283      6.262396      1.550012
  C      -6.986695      6.940004      0.306734
  C      -5.887949      7.658224     -0.105129
  C      -4.737162      7.727643      0.712192
  C      -4.686735      7.080519      1.928954
  C      -5.800232      6.325965      2.383808
  C      -1.535213     -1.234476      4.562156
  C      -2.597968     -1.663386      3.479203
  O      -2.856644     -0.691672      2.441167
  C      -3.609274      0.390158      2.755187
  O      -3.866384      0.625128      4.007389
  C      -4.080919      1.223530      1.694186
  N      -4.976544      2.175819      2.088755
  C      -5.525874      2.930644      1.135003
  N      -5.302411      2.917387     -0.178299
  C      -4.343358      2.031970     -0.598579
  C      -4.005837      2.017911     -1.972780
  C      -3.015757      1.178710     -2.452851
  C      -2.330771      0.327889     -1.566951
  C      -2.652864      0.306684     -0.216009
  C      -3.670281      1.139717      0.304201
  C      -4.043887     -0.253266      6.872963
  C      -4.972607      0.089579      8.038022
  O      -5.727827      1.301580      7.778697
  C      -6.956389      1.142697      7.251430
  O      -7.453233      0.065531      6.965145
  C      -7.669478      2.466955      7.104013
  N      -7.278486      3.439485      7.916386
  C      -7.986256      4.594012      7.876891
  N      -9.061930      4.848649      7.160079
  C      -9.465325      3.867281      6.303333
  C     -10.607482      4.093243      5.499762
  C     -11.007613      3.140763      4.589781
  C     -10.276177      1.940134      4.438255
  C      -9.175238      1.678657      5.222943
  C      -8.758524      2.624256      6.194635
  H      -3.025164      3.804784      8.051273
  H      -4.278303      2.936228      7.137641
  H      -3.553325      5.902569      6.764883
  H      -4.877524      5.244841      7.788207
  H      -8.876066      4.320781      3.356521
  H      -7.887456      6.859782     -0.300472
  H      -5.899901      8.174273     -1.066302
  H      -3.874430      8.302160      0.372965
  H      -3.801289      7.139216      2.554037
  H      -1.975799     -1.473280      5.551520
  H      -0.642258     -1.876528      4.449102
  H      -3.554649     -1.943613      3.951884
  H      -2.218385     -2.525816      2.907879
  H      -6.274524      3.649583      1.480133
  H      -4.548625      2.700492     -2.629662
  H      -2.763616      1.180766     -3.515512
  H      -1.541281     -0.326017     -1.940623
  H      -2.115980     -0.361733      0.452846
  H      -4.642472     -0.319945      5.953540
  H      -3.660670     -1.277713      7.083383
  H      -5.671963     -0.737228      8.218503
  H      -4.414429      0.308099      8.957726
  H      -7.627432      5.389577      8.537789
  H     -11.131217      5.041531      5.613757
  H     -11.879885      3.319832      3.962161
  H     -10.586875      1.213272      3.688437
  H      -8.623948      0.749749      5.111579
  N      -1.846147      2.621694      3.512360
  N      -1.520808      3.295943      2.433317
  H      -1.459923      2.731563      1.579536
  H      -2.072615      4.149626      2.281900
99
Coordinates from ORCA-job orca E -6707.129544236464
  N      -2.610022      3.455538      5.957731
  Mo     -2.361276      1.692820      4.966847
  N      -2.938090      0.681505      6.662587
  C      -1.878237      0.561623      7.654827
  C      -0.919565      1.743520      7.594391
  N      -0.489426      2.013142      6.190679
  C      -0.133150      3.443326      5.993807
  C      -1.421542      4.300881      5.918357
  C       0.604026      1.086395      5.769434
  C       0.236814      0.497187      4.397261
  N      -1.154284      0.139620      4.439258
  H      -1.397413      4.876189      4.989337
  H      -1.434121      5.024413      6.742285
  H       0.414014      3.504218      5.052352
  H       0.536771      3.774533      6.798549
  H       0.887127     -0.368999      4.171790
  H       0.406590      1.265131      3.614608
  H       0.657912      0.271691      6.506496
  H       1.567872      1.618125      5.771213
  H      -2.267840      0.506284      8.690135
  H      -1.317634     -0.388596      7.494297
  H      -1.420556      2.644050      7.962345
  H      -0.032352      1.564280      8.224616
  C      -3.517093      3.739168      7.049972
  C      -4.247404      5.078595      6.895462
  O      -5.176516      5.062457      5.790501
  C      -4.780079      5.637762      4.642322
  O      -3.683331      6.131581      4.462099
  C      -5.894685      5.635432      3.615915
  N      -6.985132      4.940443      3.927116
  C      -8.014155      4.957624      3.042828
  N      -8.074931      5.615381      1.895663
  C      -6.963247      6.332918      1.551681
  C      -6.975485      7.041305      0.322041
  C      -5.869208      7.769145     -0.067539
  C      -4.716713      7.818245      0.759007
  C      -4.672417      7.141173      1.962449
  C      -5.793200      6.376893      2.393711
  C      -1.533908     -1.240345      4.573539
  C      -2.639085     -1.671927      3.534907
  O      -2.884175     -0.723521      2.469707
  C      -3.619671      0.379115      2.768433
  O      -3.876615      0.630079      4.023011
  C      -4.083350      1.205461      1.696887
  N      -4.970040      2.171013      2.089915
  C      -5.515391      2.925307      1.135293
  N      -5.297297      2.898333     -0.180878
  C      -4.348951      1.997633     -0.603415
  C      -4.017075      1.973930     -1.978674
  C      -3.037666      1.119388     -2.463683
  C      -2.357533      0.265112     -1.579959
  C      -2.671077      0.258830     -0.223669
  C      -3.679167      1.104958      0.301160
  C      -4.024854     -0.245783      6.884029
  C      -4.956470      0.105502      8.040362
  O      -5.717843      1.308520      7.768688
  C      -6.944110      1.137270      7.242925
  O      -7.435317      0.057893      6.963993
  C      -7.675818      2.452252      7.100319
  N      -7.304692      3.432867      7.911995
  C      -8.037850      4.577187      7.878011
  N      -9.118702      4.814600      7.159894
  C      -9.500258      3.824334      6.300973
  C     -10.641929      4.031892      5.478631
  C     -11.010720      3.072593      4.552918
  C     -10.251200      1.883168      4.410816
  C      -9.153205      1.638616      5.218591
  C      -8.764945      2.592078      6.194166
  H      -3.007423      3.802265      8.039186
  H      -4.262517      2.940016      7.123459
  H      -3.545783      5.920313      6.767137
  H      -4.878198      5.242576      7.785833
  H      -8.889116      4.361696      3.321365
  H      -7.878411      6.977829     -0.291718
  H      -5.877459      8.309725     -1.016406
  H      -3.848999      8.401885      0.438834
  H      -3.787304      7.186568      2.597581
  H      -1.935344     -1.482664      5.577907
  H      -0.646220     -1.879212      4.424685
  H      -3.591915     -1.901567      4.039912
  H      -2.303661     -2.565948      2.987104
  H      -6.255754      3.654024      1.479564
  H      -4.555624      2.658764     -2.634802
  H      -2.791182      1.112705     -3.528502
  H      -1.577288     -0.402008     -1.958816
  H      -2.137302     -0.409793      0.444951
  H      -4.619995     -0.326003      5.964242
  H      -3.636844     -1.262703      7.107629
  H      -5.652013     -0.722996      8.227688
  H      -4.400561      0.339027      8.957955
  H      -7.692813      5.381005      8.534151
  H     -11.188127      4.972366      5.586466
  H     -11.880016      3.238741      3.905156
  H     -10.536361      1.151907      3.648126
  H      -8.577142      0.719316      5.108715
  N      -1.849416      2.613990      3.506697
  N      -1.525165      3.280046      2.425572
  H      -1.477316      2.711246      1.570155
  H      -2.082556      4.136833      2.278231
99
Coordinates from ORCA-job orca E -6707.130959743175
  N      -2.623910      3.461173      5.979755
  Mo     -2.370760      1.707469      4.969920
  N      -2.935997      0.677254      6.658659
  C      -1.873819      0.554157      7.647364
  C      -0.917515      1.737111      7.590826
  N      -0.495187      2.017937      6.186564
  C      -0.142221      3.450017      5.998412
  C      -1.437555      4.312102      5.949845
  C       0.597318      1.097000      5.752258
  C       0.226784      0.528279      4.376757
  N      -1.162997      0.161910      4.415687
  H      -1.420323      4.914277      5.026892
  H      -1.450462      5.020857      6.795005
  H       0.394935      3.520271      5.045344
  H       0.541718      3.770561      6.802693
  H       0.879762     -0.328311      4.135839
  H       0.389611      1.307542      3.607733
  H       0.651404      0.273798      6.478056
  H       1.562594      1.628114      5.758685
  H      -2.260387      0.492028      8.682831
  H      -1.311520     -0.393154      7.481032
  H      -1.419195      2.633610      7.967207
  H      -0.025980      1.555263      8.215061
  C      -3.536576      3.736937      7.068854
  C      -4.262956      5.075191      6.914184
  O      -5.188226      5.061953      5.803927
  C      -4.782059      5.638037      4.658081
  O      -3.681747      6.138673      4.486170
  C      -5.890931      5.636560      3.626596
  N      -6.987317      4.955662      3.943626
  C      -8.012656      4.971848      3.057582
  N      -8.064283      5.616198      1.903771
  C      -6.945446      6.316964      1.552027
  C      -6.945876      7.004215      0.310557
  C      -5.831665      7.712175     -0.090291
  C      -4.682534      7.762176      0.736853
  C      -4.649396      7.105798      1.952245
  C      -5.778477      6.361234      2.395065
  C      -1.526288     -1.221003      4.551426
  C      -2.667689     -1.644399      3.554674
  O      -2.920541     -0.711439      2.480217
  C      -3.644456      0.397666      2.775198
  O      -3.891433      0.657149      4.024348
  C      -4.108533      1.220936      1.703516
  N      -4.992858      2.191175      2.091464
  C      -5.537174      2.941081      1.132613
  N      -5.319649      2.904260     -0.184084
  C      -4.371791      1.999476     -0.600437
  C      -4.037041      1.967186     -1.973882
  C      -3.057298      1.109452     -2.449469
  C      -2.379466      0.259907     -1.558334
  C      -2.696228      0.261836     -0.204014
  C      -3.704359      1.112150      0.310833
  C      -4.019032     -0.255985      6.875296
  C      -4.949230      0.082522      8.038865
  O      -5.711086      1.289711      7.776878
  C      -6.935798      1.122780      7.245423
  O      -7.425196      0.044115      6.959202
  C      -7.664111      2.439572      7.101293
  N      -7.296087      3.414555      7.920251
  C      -8.022943      4.559488      7.879573
  N      -9.093644      4.802693      7.149016
  C      -9.471480      3.818953      6.283283
  C     -10.603825      4.032797      5.454892
  C     -10.972428      3.078645      4.528592
  C     -10.220362      1.888179      4.387882
  C      -9.130661      1.637526      5.199398
  C      -8.744139      2.585710      6.181748
  H      -3.032756      3.797912      8.060660
  H      -4.281842      2.936204      7.133141
  H      -3.559282      5.912135      6.788711
  H      -4.892054      5.240804      7.801627
  H      -8.893457      4.388021      3.341986
  H      -7.846029      6.939582     -0.304108
  H      -5.830510      8.235523     -1.049566
  H      -3.807868      8.329253      0.407013
  H      -3.765902      7.150675      2.586224
  H      -1.885485     -1.482956      5.566822
  H      -0.639291     -1.849810      4.357202
  H      -3.610053     -1.840244      4.086324
  H      -2.365816     -2.555268      3.019549
  H      -6.278531      3.669400      1.470111
  H      -4.573400      2.649297     -2.635246
  H      -2.807805      1.097198     -3.511817
  H      -1.598697     -0.409486     -1.929753
  H      -2.164175     -0.403196      0.470602
  H      -4.617533     -0.328491      5.956535
  H      -3.625865     -1.274983      7.087288
  H      -5.644649     -0.747703      8.218872
  H      -4.392682      0.306181      8.958975
  H      -7.684154      5.357661      8.546657
  H     -11.144451      4.973504      5.561517
  H     -11.835473      3.249323      3.879462
  H     -10.505013      1.160630      3.623597
  H      -8.561533      0.716786      5.092718
  N      -1.862901      2.647647      3.516186
  N      -1.541271      3.326633      2.438670
  H      -1.482415      2.766181      1.580426
  H      -2.095148      4.183314      2.295647
99
Coordinates from ORCA-job orca E -6707.131701535826
  N      -2.624527      3.475487      5.990184
  Mo     -2.381977      1.731802      4.961244
  N      -2.937970      0.681982      6.642058
  C      -1.879210      0.552592      7.632841
  C      -0.920738      1.732910      7.582124
  N      -0.499837      2.020517      6.179776
  C      -0.141103      3.452243      6.001155
  C      -1.435062      4.320444      5.967023
  C       0.584157      1.097509      5.732327
  C       0.211619      0.552520      4.348121
  N      -1.179155      0.186171      4.379128
  H      -1.419427      4.937921      5.051205
  H      -1.442895      5.017144      6.823111
  H       0.394140      3.529356      5.043239
  H       0.550258      3.763301      6.808106
  H       0.862662     -0.300791      4.091793
  H       0.375835      1.344479      3.592475
  H       0.629339      0.263603      6.446365
  H       1.554435      1.619310      5.747477
  H      -2.267705      0.486822      8.667273
  H      -1.318888     -0.395436      7.465167
  H      -1.420815      2.628502      7.963407
  H      -0.029226      1.546326      8.204799
  C      -3.533025      3.745072      7.085670
  C      -4.255344      5.084468      6.930424
  O      -5.181113      5.072133      5.820647
  C      -4.769518      5.636756      4.673855
  O      -3.665550      6.135611      4.502282
  C      -5.875312      5.632875      3.641000
  N      -6.960371      4.943373      3.957410
  C      -7.979303      4.942404      3.070652
  N      -8.036111      5.577779      1.916810
  C      -6.930102      6.287521      1.565704
  C      -6.937604      6.961294      0.322924
  C      -5.837642      7.676759     -0.080112
  C      -4.695378      7.748060      0.746401
  C      -4.654415      7.104373      1.963158
  C      -5.769153      6.351226      2.408561
  C      -1.531531     -1.200263      4.521954
  C      -2.719064     -1.616612      3.588824
  O      -2.979497     -0.711883      2.490663
  C      -3.677267      0.417196      2.772663
  O      -3.916067      0.699768      4.020986
  C      -4.130943      1.230657      1.688205
  N      -5.021388      2.197671      2.046818
  C      -5.551279      2.934117      1.067178
  N      -5.306741      2.898441     -0.233240
  C      -4.352541      1.992678     -0.620482
  C      -3.994085      1.943900     -1.987709
  C      -3.009680      1.077111     -2.436080
  C      -2.349848      0.235911     -1.522172
  C      -2.692573      0.249624     -0.177047
  C      -3.706566      1.108274      0.307811
  C      -4.019239     -0.255369      6.851495
  C      -4.945841      0.072655      8.021077
  O      -5.708661      1.280704      7.766754
  C      -6.938615      1.111068      7.233726
  O      -7.428685      0.028407      6.943155
  C      -7.660394      2.430283      7.086682
  N      -7.292342      3.397520      7.922101
  C      -8.016522      4.543253      7.893624
  N      -9.084830      4.795378      7.164215
  C      -9.463962      3.820969      6.283336
  C     -10.599666      4.044141      5.472331
  C     -10.980613      3.096520      4.549867
  C     -10.236353      1.902011      4.392782
  C      -9.141386      1.642787      5.181688
  C      -8.742357      2.585047      6.165958
  H      -3.025314      3.799607      8.076411
  H      -4.280339      2.947998      7.150544
  H      -3.550169      5.911126      6.798866
  H      -4.878433      5.258404      7.814666
  H      -8.849146      4.349725      3.353136
  H      -7.832176      6.879994     -0.291371
  H      -5.842204      8.189618     -1.041236
  H      -3.831979      8.321505      0.414792
  H      -3.776343      7.167683      2.595983
  H      -1.836426     -1.477188      5.551741
  H      -0.655605     -1.824634      4.273907
  H      -3.646427     -1.756696      4.161676
  H      -2.469554     -2.558730      3.080941
  H      -6.294654      3.677573      1.390595
  H      -4.517688      2.619012     -2.667622
  H      -2.743144      1.047492     -3.497529
  H      -1.564730     -0.439300     -1.871543
  H      -2.174533     -0.411951      0.513255
  H      -4.621416     -0.319905      5.934471
  H      -3.623141     -1.275931      7.052524
  H      -5.640951     -0.760168      8.198969
  H      -4.385407      0.290028      8.940585
  H      -7.681413      5.332090      8.579371
  H     -11.136697      4.986035      5.595830
  H     -11.848933      3.273369      3.921045
  H     -10.534512      1.178082      3.639373
  H      -8.581544      0.718056      5.067644
  N      -1.872507      2.683013      3.514088
  N      -1.545923      3.369191      2.444986
  H      -1.446597      2.818832      1.591924
  H      -2.082241      4.230987      2.302398
99
Coordinates from ORCA-job orca E -6707.133104674435
  N      -2.635137      3.483932      6.006411
  Mo     -2.391878      1.750082      4.961632
  N      -2.931274      0.682116      6.636916
  C      -1.869106      0.549142      7.622963
  C      -0.913330      1.730926      7.573204
  N      -0.504469      2.029090      6.169426
  C      -0.149816      3.463369      5.999671
  C      -1.446697      4.332143      5.991673
  C       0.577858      1.111545      5.706130
  C       0.198936      0.588148      4.317290
  N      -1.190450      0.211921      4.347878
  H      -1.438093      4.971426      5.087629
  H      -1.451749      5.011893      6.864135
  H       0.373502      3.550789      5.034825
  H       0.551861      3.764986      6.801970
  H       0.852256     -0.255659      4.042801
  H       0.354056      1.392722      3.576243
  H       0.624135      0.267722      6.407311
  H       1.549797      1.631986      5.725451
  H      -2.253457      0.477284      8.658242
  H      -1.307902     -0.396714      7.449182
  H      -1.413030      2.622558      7.963957
  H      -0.016108      1.542568      8.187731
  C      -3.547516      3.743086      7.100765
  C      -4.268444      5.083082      6.951710
  O      -5.191042      5.076552      5.838441
  C      -4.773082      5.648259      4.695675
  O      -3.666219      6.148520      4.531693
  C      -5.872009      5.648203      3.654046
  N      -6.963466      4.961943      3.960994
  C      -7.975156      4.963899      3.063916
  N      -8.018179      5.598032      1.906956
  C      -6.904932      6.303513      1.564708
  C      -6.896182      6.973639      0.317382
  C      -5.788204      7.684758     -0.076693
  C      -4.654934      7.757011      0.764483
  C      -4.630182      7.117197      1.985982
  C      -5.751973      6.366098      2.420983
  C      -1.523548     -1.178173      4.498963
  C      -2.759669     -1.588775      3.636432
  O      -3.034090     -0.715476      2.517237
  C      -3.710031      0.429007      2.786601
  O      -3.937623      0.728956      4.029723
  C      -4.161600      1.231099      1.694357
  N      -5.047827      2.210206      2.043999
  C      -5.575247      2.933926      1.052675
  N      -5.332757      2.868571     -0.256675
  C      -4.378721      1.956231     -0.630324
  C      -4.015608      1.889133     -1.997014
  C      -3.027937      1.021817     -2.426399
  C      -2.371738      0.193497     -1.496994
  C      -2.720419      0.222607     -0.153739
  C      -3.735758      1.086909      0.315212
  C      -4.007169     -0.263047      6.842279
  C      -4.936579      0.050165      8.014898
  O      -5.701571      1.259865      7.772277
  C      -6.919256      1.095247      7.222830
  O      -7.394233      0.017322      6.910255
  C      -7.649312      2.411126      7.087196
  N      -7.285353      3.375761      7.920699
  C      -8.011799      4.519244      7.889345
  N      -9.076089      4.772305      7.155742
  C      -9.450257      3.800555      6.276542
  C     -10.578505      4.026062      5.452554
  C     -10.951532      3.082111      4.522288
  C     -10.208202      1.888398      4.373924
  C      -9.121162      1.626849      5.177458
  C      -8.727905      2.566443      6.164632
  H      -3.043676      3.790821      8.093153
  H      -4.295219      2.944328      7.155707
  H      -3.561733      5.910564      6.826701
  H      -4.893061      5.253384      7.835636
  H      -8.850638      4.374080      3.339018
  H      -7.784630      6.892565     -0.307915
  H      -5.779974      8.194119     -1.041589
  H      -3.785356      8.328075      0.440789
  H      -3.759569      7.182956      2.630573
  H      -1.766792     -1.471521      5.541160
  H      -0.658865     -1.792882      4.194280
  H      -3.664779     -1.672327      4.250798
  H      -2.563146     -2.557201      3.159408
  H      -6.320108      3.678404      1.362879
  H      -4.536099      2.554927     -2.688988
  H      -2.754962      0.983495     -3.483089
  H      -1.583657     -0.481042     -1.831173
  H      -2.203976     -0.427504      0.549690
  H      -4.610940     -0.322144      5.926111
  H      -3.604149     -1.283396      7.033606
  H      -5.629761     -0.784989      8.181009
  H      -4.380374      0.258205      8.938110
  H      -7.681355      5.306038      8.572683
  H     -11.114034      4.967349      5.567435
  H     -11.812093      3.261941      3.877280
  H     -10.498650      1.166948      3.610562
  H      -8.560762      0.703295      5.067074
  N      -1.890006      2.714248      3.518113
  N      -1.566078      3.409239      2.453927
  H      -1.452358      2.859851      1.593879
  H      -2.094799      4.273769      2.315853
99
Coordinates from ORCA-job orca E -6707.134060138225
  N      -2.637650      3.492276      6.020453
  Mo     -2.405003      1.766013      4.966496
  N      -2.918306      0.684506      6.642302
  C      -1.847514      0.552704      7.619942
  C      -0.893828      1.737521      7.561678
  N      -0.504782      2.040032      6.152553
  C      -0.152921      3.475143      5.982719
  C      -1.449663      4.341027      6.004722
  C       0.572519      1.124973      5.672469
  C       0.178728      0.613285      4.280556
  N      -1.209954      0.231292      4.321809
  H      -1.452974      4.994300      5.114700
  H      -1.445005      5.004782      6.886204
  H       0.350553      3.566978      5.009114
  H       0.563584      3.773753      6.771128
  H       0.831444     -0.227300      3.989743
  H       0.322602      1.426566      3.545144
  H       0.624583      0.273840      6.367307
  H       1.545980      1.644811      5.687942
  H      -2.223485      0.479189      8.658774
  H      -1.286194     -0.392683      7.441273
  H      -1.390180      2.627240      7.961327
  H       0.012174      1.549809      8.164470
  C      -3.549812      3.745453      7.113465
  C      -4.267949      5.088111      6.974802
  O      -5.185685      5.092416      5.855304
  C      -4.766633      5.676044      4.717083
  O      -3.660906      6.173689      4.559098
  C      -5.860297      5.682105      3.669914
  N      -6.960737      4.999997      3.966603
  C      -7.968713      5.013556      3.062204
  N      -7.999205      5.655384      1.906794
  C      -6.875751      6.356039      1.574612
  C      -6.851530      7.033873      0.328381
  C      -5.731538      7.740680     -0.054438
  C      -4.603529      7.803103      0.798133
  C      -4.594888      7.156592      2.018976
  C      -5.727201      6.407268      2.440759
  C      -1.526230     -1.161667      4.487384
  C      -2.812487     -1.568131      3.705410
  O      -3.104102     -0.732792      2.562513
  C      -3.752574      0.432763      2.813159
  O      -3.969363      0.756951      4.051556
  C      -4.198249      1.223461      1.710359
  N      -5.075308      2.219255      2.053866
  C      -5.598787      2.939223      1.060161
  N      -5.362228      2.847278     -0.254314
  C      -4.415774      1.919348     -0.622839
  C      -4.053317      1.837943     -1.986319
  C      -3.073396      0.954223     -2.411854
  C      -2.423794      0.126065     -1.480219
  C      -2.768413      0.176076     -0.134386
  C      -3.776960      1.055554      0.329668
  C      -3.988209     -0.266658      6.854723
  C      -4.916362      0.043684      8.028585
  O      -5.690579      1.247348      7.778156
  C      -6.900479      1.070749      7.217482
  O      -7.366926     -0.013759      6.907886
  C      -7.639417      2.381529      7.068794
  N      -7.295953      3.349269      7.906909
  C      -8.033555      4.485880      7.864096
  N      -9.090228      4.728972      7.112835
  C      -9.441862      3.754247      6.227450
  C     -10.561416      3.968582      5.386760
  C     -10.911316      3.021182      4.451290
  C     -10.151876      1.835863      4.310202
  C      -9.073025      1.584964      5.130842
  C      -8.705635      2.527529      6.127995
  H      -3.047893      3.784665      8.107119
  H      -4.299063      2.948153      7.158734
  H      -3.558245      5.921894      6.862689
  H      -4.898543      5.248744      7.861644
  H      -8.854744      4.430898      3.331483
  H      -7.736926      6.961900     -0.305074
  H      -5.711035      8.255060     -1.018265
  H      -3.724732      8.371919      0.484497
  H      -3.728844      7.215737      2.672964
  H      -1.702237     -1.465054      5.541791
  H      -0.677843     -1.769576      4.126576
  H      -3.688205     -1.588416      4.363434
  H      -2.673933     -2.563098      3.267412
  H      -6.345685      3.669288      1.349551
  H      -4.567696      2.504303     -2.680298
  H      -2.800997      0.905936     -3.465054
  H      -1.642299     -0.563127     -1.813150
  H      -2.256006     -0.471009      0.572465
  H      -4.597211     -0.328798      5.942136
  H      -3.578011     -1.284046      7.045311
  H      -5.603493     -0.796437      8.197844
  H      -4.361174      0.260717      8.951777
  H      -7.722579      5.275239      8.556072
  H     -11.109549      4.903705      5.495960
  H     -11.765856      3.192141      3.797395
  H     -10.422748      1.111686      3.539820
  H      -8.499853      0.667616      5.026493
  N      -1.916433      2.734155      3.522002
  N      -1.595743      3.432635      2.460293
  H      -1.477455      2.899085      1.597780
  H      -2.122193      4.306089      2.329302
99
Coordinates from ORCA-job orca E -6707.133456152825
  N      -2.636522      3.499106      6.026980
  Mo     -2.409826      1.784119      4.956497
  N      -2.922340      0.687183      6.621535
  C      -1.856799      0.545754      7.601857
  C      -0.902738      1.727687      7.555116
  N      -0.513092      2.037766      6.150606
  C      -0.158635      3.471917      5.991794
  C      -1.445245      4.344790      6.028065
  C       0.560870      1.122541      5.663211
  C       0.173221      0.633292      4.262012
  N      -1.215835      0.251300      4.292025
  H      -1.444277      5.018042      5.148916
  H      -1.437543      4.994378      6.927004
  H       0.337441      3.567554      5.020543
  H       0.559500      3.761564      6.774884
  H       0.828795     -0.203341      3.959187
  H       0.317300      1.458702      3.539694
  H       0.605004      0.262735      6.345850
  H       1.535255      1.634818      5.691019
  H      -2.238644      0.467680      8.637104
  H      -1.297421     -0.400341      7.420708
  H      -1.398688      2.615971      7.959390
  H       0.000451      1.533346      8.157377
  C      -3.550515      3.743083      7.121987
  C      -4.277996      5.082295      6.984606
  O      -5.192907      5.080747      5.865879
  C      -4.769854      5.669274      4.729686
  O      -3.665694      6.185913      4.577851
  C      -5.860159      5.667719      3.679272
  N      -6.953880      4.986490      3.982026
  C      -7.962811      4.994922      3.085385
  N      -8.000036      5.629770      1.930429
  C      -6.882694      6.328698      1.590959
  C      -6.867406      6.999103      0.346201
  C      -5.755602      7.704973     -0.044655
  C      -4.625875      7.773393      0.797828
  C      -4.607734      7.133918      2.017275
  C      -5.733166      6.386361      2.448500
  C      -1.519731     -1.145474      4.458997
  C      -2.843571     -1.540840      3.725614
  O      -3.133204     -0.727198      2.565460
  C      -3.764047      0.452909      2.802790
  O      -3.982524      0.790879      4.036870
  C      -4.194732      1.234527      1.688232
  N      -5.067569      2.233369      2.005219
  C      -5.576657      2.937984      0.988483
  N      -5.322994      2.842311     -0.312418
  C      -4.381407      1.907288     -0.655504
  C      -4.009000      1.800404     -2.021482
  C      -3.028647      0.915848     -2.417011
  C      -2.390104      0.106168     -1.455828
  C      -2.751430      0.167176     -0.118805
  C      -3.760339      1.051340      0.318389
  C      -3.993450     -0.262663      6.828417
  C      -4.915892      0.041739      8.007510
  O      -5.689939      1.244134      7.768181
  C      -6.903931      1.075407      7.214528
  O      -7.369669      0.001916      6.892170
  C      -7.639938      2.385359      7.084426
  N      -7.298625      3.343812      7.929876
  C      -8.036755      4.480447      7.902503
  N      -9.092510      4.731500      7.157757
  C      -9.441152      3.766784      6.262192
  C     -10.557415      3.990912      5.413837
  C     -10.903375      3.054305      4.462720
  C     -10.145495      1.869085      4.321304
  C      -9.070135      1.608773      5.148463
  C      -8.704115      2.540841      6.150292
  H      -3.047406      3.779361      8.114956
  H      -4.297011      2.942254      7.166267
  H      -3.575125      5.911691      6.869883
  H      -4.910290      5.242700      7.864680
  H      -8.842298      4.411069      3.358967
  H      -7.753716      6.922547     -0.279466
  H      -5.742448      8.213920     -1.007532
  H      -3.753578      8.341414      0.477312
  H      -3.740080      7.196977      2.663383
  H      -1.650325     -1.469758      5.527445
  H      -0.672861     -1.747231      4.050525
  H      -3.710204     -1.509959      4.414707
  H      -2.751384     -2.564478      3.311710
  H      -6.303868      3.730246      1.295573
  H      -4.515707      2.452219     -2.738624
  H      -2.747796      0.846165     -3.474179
  H      -1.606090     -0.578789     -1.761363
  H      -2.247783     -0.470179      0.607224
  H      -4.605242     -0.315943      5.918238
  H      -3.585149     -1.281117      7.010648
  H      -5.602431     -0.798545      8.178152
  H      -4.355938      0.253466      8.926713
  H      -7.724056      5.261875      8.594154
  H     -11.105857      4.925690      5.524917
  H     -11.754640      3.233092      3.795739
  H     -10.416039      1.153994      3.544830
  H      -8.497962      0.691629      5.040820
  N      -1.917597      2.765200      3.521213
  N      -1.597342      3.460884      2.460231
  H      -1.482903      2.911448      1.587807
  H      -2.117139      4.327195      2.330657
99
Coordinates from ORCA-job orca E -6707.133915171609
  N      -2.628565      3.504564      6.032151
  Mo     -2.415828      1.799725      4.954013
  N      -2.917741      0.692312      6.614516
  C      -1.852759      0.549129      7.595770
  C      -0.895690      1.729666      7.547629
  N      -0.513495      2.038220      6.141168
  C      -0.150208      3.470914      5.979271
  C      -1.433952      4.342725      6.033216
  C       0.552139      1.117176      5.647814
  C       0.160847      0.646026      4.242130
  N      -1.229335      0.266257      4.267187
  H      -1.441296      5.019008      5.166090
  H      -1.414915      4.979475      6.932447
  H       0.334028      3.563200      4.996975
  H       0.584792      3.761915      6.754396
  H       0.814599     -0.186540      3.925060
  H       0.304250      1.480831      3.532543
  H       0.588089      0.251694      6.322456
  H       1.530214      1.620041      5.680420
  H      -2.236022      0.473988      8.631385
  H      -1.297203     -0.399989      7.415759
  H      -1.387572      2.619029      7.955561
  H       0.009515      1.533508      8.145440
  C      -3.538510      3.745472      7.128503
  C      -4.264102      5.087508      7.000472
  O      -5.178261      5.094284      5.881952
  C      -4.757345      5.688094      4.748644
  O      -3.655456      6.202197      4.597428
  C      -5.844901      5.686109      3.696693
  N      -6.943715      5.010580      3.996502
  C      -7.950737      5.024682      3.097227
  N      -7.980000      5.658006      1.940451
  C      -6.856848      6.351272      1.604091
  C      -6.832248      7.022172      0.358699
  C      -5.713768      7.723646     -0.027165
  C      -4.587068      7.787784      0.821025
  C      -4.578367      7.147487      2.040724
  C      -5.710399      6.404175      2.466607
  C      -1.526071     -1.130587      4.425610
  C      -2.845874     -1.507420      3.748962
  O      -3.166923     -0.723258      2.584276
  C      -3.786670      0.462032      2.808370
  O      -4.000324      0.817673      4.038061
  C      -4.212303      1.232297      1.685614
  N      -5.079270      2.247954      1.996233
  C      -5.581486      2.946716      0.974242
  N      -5.328096      2.823151     -0.334387
  C      -4.388702      1.877778     -0.666210
  C      -4.008370      1.761911     -2.024107
  C      -3.029227      0.867737     -2.410252
  C      -2.401198      0.056492     -1.447420
  C      -2.768441      0.132053     -0.112476
  C      -3.775217      1.027759      0.316851
  C      -3.991976     -0.251221      6.829504
  C      -4.906720      0.058899      8.011381
  O      -5.686931      1.256870      7.769528
  C      -6.895668      1.075604      7.203945
  O      -7.345808     -0.004508      6.874329
  C      -7.651497      2.378171      7.075483
  N      -7.326121      3.344276      7.924524
  C      -8.083873      4.474258      7.896722
  N      -9.143079      4.712498      7.144806
  C      -9.476088      3.739102      6.248893
  C     -10.596350      3.949181      5.400386
  C     -10.928095      3.003791      4.456874
  C     -10.151200      1.823596      4.319007
  C      -9.071068      1.577562      5.144357
  C      -8.719031      2.518940      6.140785
  H      -3.032982      3.772434      8.120787
  H      -4.287285      2.948367      7.167423
  H      -3.560674      5.920302      6.892354
  H      -4.897498      5.241031      7.882984
  H      -8.836315      4.447947      3.370212
  H      -7.716767      6.950025     -0.271254
  H      -5.693363      8.232776     -0.990118
  H      -3.709778      8.352890      0.505159
  H      -3.712896      7.206576      2.691457
  H      -1.618108     -1.468553      5.471840
  H      -0.707303     -1.728041      3.984239
  H      -3.663067     -1.445773      4.435403
  H      -2.775239     -2.514624      3.386326
  H      -6.313598      3.728439      1.258158
  H      -4.506741      2.415266     -2.742770
  H      -2.740552      0.795183     -3.457894
  H      -1.618608     -0.638092     -1.747225
  H      -2.271325     -0.503297      0.617376
  H      -4.610455     -0.301851      5.923781
  H      -3.586858     -1.268776      7.011924
  H      -5.590593     -0.783083      8.189573
  H      -4.341859      0.277908      8.927445
  H      -7.786022      5.262504      8.593823
  H     -11.159463      4.880348      5.509807
  H     -11.782611      3.172059      3.792725
  H     -10.409683      1.101238      3.545988
  H      -8.483259      0.665023      5.038845
  N      -1.928326      2.783603      3.519938
  N      -1.620260      3.476805      2.457562
  H      -1.491100      2.937368      1.583749
  H      -2.132613      4.349654      2.334613
99
Coordinates from ORCA-job orca E -6707.131745927380
  N      -2.636851      3.516927      6.043519
  Mo     -2.431366      1.814434      4.956529
  N      -2.902907      0.702530      6.628759
  C      -1.819598      0.565199      7.593724
  C      -0.863360      1.749207      7.527909
  N      -0.505828      2.061267      6.111774
  C      -0.149574      3.496010      5.942329
  C      -1.448322      4.362941      6.032108
  C       0.557014      1.146449      5.598626
  C       0.140645      0.673491      4.199980
  N      -1.248148      0.286306      4.250213
  H      -1.478451      5.052817      5.170626
  H      -1.423246      4.988416      6.938855
  H       0.314593      3.592633      4.940298
  H       0.609315      3.788313      6.706384
  H       0.791968     -0.153336      3.871437
  H       0.267043      1.508097      3.489334
  H       0.609562      0.279619      6.272273
  H       1.536471      1.655705      5.614190
  H      -2.185451      0.489077      8.637140
  H      -1.264072     -0.381662      7.404848
  H      -1.350786      2.635838      7.946604
  H       0.055865      1.555966      8.110340
  C      -3.544223      3.748153      7.150864
  C      -4.275166      5.093393      7.037113
  O      -5.189833      5.106491      5.917255
  C      -4.767827      5.697065      4.792088
  O      -3.664779      6.190378      4.652010
  C      -5.846108      5.706574      3.728909
  N      -6.962013      5.029861      3.999794
  C      -7.949901      5.047733      3.064979
  N      -7.943563      5.684807      1.900407
  C      -6.804593      6.380821      1.595425
  C      -6.740437      7.055697      0.341373
  C      -5.603040      7.759599     -0.011570
  C      -4.497573      7.822295      0.879459
  C      -4.528275      7.177071      2.107183
  C      -5.678217      6.430607      2.498597
  C      -1.546062     -1.112049      4.432028
  C      -2.911081     -1.513784      3.800048
  O      -3.227339     -0.746122      2.614799
  C      -3.826513      0.464490      2.829099
  O      -4.033371      0.842306      4.059524
  C      -4.246094      1.235033      1.702202
  N      -5.106274      2.263871      2.014839
  C      -5.610052      2.969008      1.002803
  N      -5.369082      2.825858     -0.312442
  C      -4.433755      1.869162     -0.648389
  C      -4.060222      1.747226     -2.002384
  C      -3.091920      0.824715     -2.406232
  C      -2.466892      0.000869     -1.458304
  C      -2.821374      0.097860     -0.112486
  C      -3.818336      1.015314      0.327174
  C      -3.971183     -0.248084      6.862109
  C      -4.887789      0.059773      8.046999
  O      -5.685099      1.251464      7.792179
  C      -6.886415      1.046919      7.218049
  O      -7.324210     -0.052699      6.906373
  C      -7.652775      2.345236      7.056336
  N      -7.337993      3.317800      7.902374
  C      -8.097956      4.441736      7.851771
  N      -9.150750      4.666957      7.085902
  C      -9.471474      3.687216      6.194648
  C     -10.582469      3.886226      5.345528
  C     -10.899624      2.936372      4.403052
  C     -10.116278      1.763757      4.262180
  C      -9.044764      1.527634      5.091289
  C      -8.710085      2.473759      6.098969
  H      -3.034929      3.770806      8.142334
  H      -4.290418      2.945809      7.187537
  H      -3.569708      5.940773      6.938335
  H      -4.911153      5.235189      7.928322
  H      -8.850723      4.473101      3.315270
  H      -7.609987      6.984611     -0.321870
  H      -5.551499      8.271813     -0.980668
  H      -3.605552      8.389971      0.591124
  H      -3.679763      7.237058      2.791554
  H      -1.605176     -1.432428      5.490702
  H      -0.743434     -1.705672      3.976264
  H      -3.738050     -1.405221      4.537692
  H      -2.882015     -2.571394      3.446109
  H      -6.352857      3.682134      1.238353
  H      -4.555484      2.409935     -2.710875
  H      -2.810883      0.745998     -3.452183
  H      -1.694261     -0.721086     -1.776370
  H      -2.327321     -0.543763      0.609507
  H      -4.598782     -0.306780      5.961238
  H      -3.555055     -1.264772      7.046044
  H      -5.561920     -0.789136      8.229137
  H      -4.326164      0.292531      8.964206
  H      -7.813506      5.236666      8.554160
  H     -11.147728      4.811893      5.453430
  H     -11.746322      3.097236      3.743913
  H     -10.359772      1.037299      3.480400
  H      -8.452396      0.621183      4.986422
  N      -1.957140      2.799782      3.518906
  N      -1.620776      3.496910      2.463529
  H      -1.492973      2.986510      1.602841
  H      -2.130706      4.389733      2.336282
99
Coordinates from ORCA-job orca E -6707.135668165919
  N      -2.648487      3.505666      6.047722
  Mo     -2.432689      1.803551      4.957924
  N      -2.911322      0.684349      6.624134
  C      -1.832537      0.543137      7.592533
  C      -0.881001      1.729408      7.538551
  N      -0.517037      2.053855      6.128900
  C      -0.170872      3.491579      5.975350
  C      -1.459277      4.354638      6.051701
  C       0.555257      1.149276      5.616661
  C       0.150797      0.687271      4.211407
  N      -1.235278      0.287007      4.249105
  H      -1.472591      5.047690      5.195270
  H      -1.442616      4.978336      6.961635
  H       0.300960      3.599659      4.995998
  H       0.561028      3.777165      6.740946
  H       0.812497     -0.131660      3.879122
  H       0.272306      1.530484      3.507897
  H       0.609494      0.276700      6.284020
  H       1.531093      1.664741      5.644071
  H      -2.203406      0.461583      8.632641
  H      -1.273993     -0.401798      7.403043
  H      -1.374005      2.611313      7.959331
  H       0.035085      1.534792      8.124220
  C      -3.562703      3.739447      7.141078
  C      -4.277744      5.082566      7.018412
  O      -5.185692      5.102228      5.888950
  C      -4.756235      5.704591      4.759672
  O      -3.652142      6.213056      4.623369
  C      -5.835246      5.712918      3.696969
  N      -6.944380      5.039759      3.981457
  C      -7.942044      5.060801      3.065907
  N      -7.952597      5.698203      1.908168
  C      -6.819932      6.389440      1.588269
  C      -6.776464      7.064119      0.342163
  C      -5.648749      7.764409     -0.027326
  C      -4.531152      7.822148      0.838425
  C      -4.540607      7.176938      2.058676
  C      -5.682227      6.435350      2.468248
  C      -1.509632     -1.116258      4.415925
  C      -2.878239     -1.506095      3.785854
  O      -3.213704     -0.741604      2.607879
  C      -3.817244      0.454607      2.824205
  O      -4.020561      0.825630      4.051493
  C      -4.241736      1.219732      1.696246
  N      -5.101671      2.238002      2.004082
  C      -5.606503      2.935920      0.985885
  N      -5.362587      2.804584     -0.321329
  C      -4.429924      1.852192     -0.656047
  C      -4.059598      1.726272     -2.014574
  C      -3.087884      0.821830     -2.405065
  C      -2.456725      0.014987     -1.442276
  C      -2.813324      0.104229     -0.102304
  C      -3.813397      1.006401      0.326801
  C      -3.983412     -0.261515      6.853404
  C      -4.895964      0.048385      8.039409
  O      -5.684777      1.242412      7.791746
  C      -6.886128      1.049299      7.220430
  O      -7.334991     -0.042687      6.905660
  C      -7.643341      2.350007      7.071503
  N      -7.326263      3.313852      7.927273
  C      -8.081342      4.439450      7.890259
  N      -9.131554      4.674771      7.126799
  C      -9.453827      3.704882      6.221033
  C     -10.562010      3.914436      5.363595
  C     -10.882235      2.973697      4.408252
  C     -10.106496      1.799092      4.267913
  C      -9.037637      1.552643      5.103143
  C      -8.698528      2.489610      6.116752
  H      -3.063676      3.763452      8.136627
  H      -4.311882      2.942077      7.169238
  H      -3.566537      5.917244      6.923564
  H      -4.912702      5.229640      7.902915
  H      -8.836534      4.487737      3.326729
  H      -7.654547      6.996236     -0.301538
  H      -5.613866      8.277229     -0.990381
  H      -3.646383      8.386458      0.535905
  H      -3.682252      7.232045      2.722625
  H      -1.551013     -1.467947      5.484014
  H      -0.689793     -1.695954      3.934659
  H      -3.689894     -1.407522      4.516327
  H      -2.847513     -2.542951      3.430934
  H      -6.335624      3.706556      1.258786
  H      -4.559650      2.377349     -2.732563
  H      -2.808042      0.739013     -3.455758
  H      -1.679853     -0.688604     -1.746643
  H      -2.314959     -0.528086      0.627679
  H      -4.611925     -0.313589      5.953658
  H      -3.574071     -1.280503      7.033683
  H      -5.573991     -0.795875      8.221251
  H      -4.332180      0.275141      8.954559
  H      -7.793534      5.225331      8.599318
  H     -11.123711      4.841177      5.475059
  H     -11.727634      3.142055      3.742316
  H     -10.356354      1.080751      3.487554
  H      -8.451391      0.644068      4.998414
  N      -1.961662      2.797100      3.525568
  N      -1.625370      3.496359      2.472352
  H      -1.500311      2.969502      1.600941
  H      -2.132116      4.382339      2.347010
99
Coordinates from ORCA-job orca E -6707.133330489317
  N      -2.623250      3.519259      6.042992
  Mo     -2.434516      1.833806      4.934727
  N      -2.923601      0.710623      6.592545
  C      -1.850771      0.557796      7.564581
  C      -0.885228      1.733628      7.514190
  N      -0.516538      2.046525      6.105517
  C      -0.142965      3.475630      5.938542
  C      -1.429445      4.356497      6.048709
  C       0.536142      1.121352      5.595089
  C       0.131796      0.666379      4.186908
  N      -1.259801      0.295572      4.222055
  H      -1.456130      5.070072      5.199061
  H      -1.395606      4.963123      6.977762
  H       0.309105      3.565137      4.924680
  H       0.636256      3.763137      6.696252
  H       0.779688     -0.165670      3.852509
  H       0.271100      1.509169      3.484094
  H       0.569059      0.250781      6.263612
  H       1.517788      1.614297      5.625545
  H      -2.228319      0.482184      8.602947
  H      -1.303649     -0.394914      7.376992
  H      -1.366631      2.624122      7.934211
  H       0.024006      1.528501      8.100955
  C      -3.527276      3.740373      7.155339
  C      -4.282860      5.076225      7.041461
  O      -5.195184      5.068204      5.929008
  C      -4.771800      5.656884      4.805389
  O      -3.675447      6.187334      4.666982
  C      -5.849752      5.647926      3.744518
  N      -6.942191      4.961149      4.029164
  C      -7.937751      4.964976      3.117597
  N      -7.962028      5.598087      1.963137
  C      -6.845148      6.302532      1.642244
  C      -6.815227      6.972497      0.399434
  C      -5.702375      7.684495      0.028027
  C      -4.585504      7.758403      0.887712
  C      -4.581724      7.118183      2.104775
  C      -5.709381      6.365869      2.517057
  C      -1.560663     -1.104634      4.386559
  C      -2.905241     -1.483578      3.778150
  O      -3.223338     -0.723252      2.592053
  C      -3.814544      0.494713      2.791553
  O      -4.039890      0.885398      4.013448
  C      -4.204085      1.258902      1.648695
  N      -5.059727      2.286867      1.917198
  C      -5.536414      2.971926      0.870350
  N      -5.264370      2.830559     -0.421448
  C      -4.334190      1.869220     -0.714223
  C      -3.939692      1.714287     -2.069127
  C      -2.969795      0.794892     -2.423299
  C      -2.364425     -0.001533     -1.429189
  C      -2.749056      0.106033     -0.100822
  C      -3.749275      1.024504      0.294219
  C      -4.004301     -0.222158      6.821673
  C      -4.903082      0.091663      8.014892
  O      -5.698553      1.280533      7.779806
  C      -6.911741      1.093638      7.225225
  O      -7.350734      0.020774      6.886550
  C      -7.674580      2.389851      7.103445
  N      -7.357770      3.354790      7.945451
  C      -8.120799      4.481681      7.917081
  N      -9.178112      4.716744      7.169916
  C      -9.499832      3.744563      6.276746
  C     -10.611616      3.953587      5.412955
  C     -10.923674      3.012139      4.455160
  C     -10.137672      1.836530      4.323349
  C      -9.066758      1.591444      5.167168
  C      -8.734388      2.528727      6.171084
  H      -3.008753      3.762886      8.140950
  H      -4.266437      2.932274      7.201763
  H      -3.595395      5.919426      6.934490
  H      -4.924381      5.216203      7.920769
  H      -8.819168      4.380884      3.379208
  H      -7.691749      6.891561     -0.240249
  H      -5.677842      8.193747     -0.932887
  H      -3.711942      8.331389      0.583012
  H      -3.723434      7.184167      2.764518
  H      -1.607808     -1.440811      5.422953
  H      -0.776457     -1.699153      3.911116
  H      -3.710164     -1.350066      4.500779
  H      -2.888378     -2.538383      3.462180
  H      -6.260861      3.772053      1.123665
  H      -4.421032      2.356677     -2.813362
  H      -2.671043      0.686907     -3.473532
  H      -1.587805     -0.714163     -1.702995
  H      -2.270797     -0.523659      0.649676
  H      -4.638293     -0.264611      5.926313
  H      -3.606563     -1.243563      6.997486
  H      -5.577684     -0.754712      8.210628
  H      -4.326122      0.321018      8.919795
  H      -7.827869      5.269650      8.603783
  H     -11.180743      4.882579      5.515171
  H     -11.769470      3.180667      3.770485
  H     -10.379180      1.118897      3.534908
  H      -8.469745      0.683208      5.061594
  N      -1.943939      2.831102      3.512865
  N      -1.588458      3.523388      2.463891
  H      -1.470602      2.977204      1.593347
  H      -2.079119      4.405585      2.330109
99
Coordinates from ORCA-job orca E -6707.136356423470
  N      -2.644729      3.514980      6.058634
  Mo     -2.444718      1.830291      4.946072
  N      -2.913829      0.696609      6.604785
  C      -1.832865      0.546781      7.568647
  C      -0.877104      1.729554      7.516883
  N      -0.522279      2.057306      6.107042
  C      -0.168338      3.492510      5.951341
  C      -1.454272      4.359971      6.068731
  C       0.540356      1.149162      5.582621
  C       0.130027      0.707341      4.173145
  N      -1.256871      0.312364      4.212109
  H      -1.480424      5.076032      5.230457
  H      -1.423462      4.958373      6.997128
  H       0.277268      3.597124      4.950388
  H       0.596152      3.776242      6.701382
  H       0.788114     -0.108783      3.824411
  H       0.249947      1.560238      3.481851
  H       0.588189      0.270660      6.240234
  H       1.518798      1.654347      5.613203
  H      -2.202632      0.463378      8.608761
  H      -1.279597     -0.400246      7.373775
  H      -1.363185      2.611891      7.946497
  H       0.040498      1.527628      8.094933
  C      -3.554451      3.734904      7.162072
  C      -4.291822      5.074074      7.051181
  O      -5.197134      5.087615      5.925185
  C      -4.766957      5.692912      4.804412
  O      -3.668329      6.215426      4.677508
  C      -5.838560      5.694654      3.735316
  N      -6.943413      5.016770      4.011105
  C      -7.932263      5.029983      3.087968
  N      -7.937439      5.663182      1.929292
  C      -6.807693      6.358343      1.617271
  C      -6.756682      7.027017      0.368980
  C      -5.629962      7.729029      0.006174
  C      -4.520661      7.794633      0.880672
  C      -4.537926      7.155756      2.103435
  C      -5.679011      6.412626      2.506225
  C      -1.526857     -1.092367      4.373998
  C      -2.910422     -1.467445      3.803829
  O      -3.256877     -0.727617      2.615529
  C      -3.841746      0.484938      2.813906
  O      -4.048710      0.877107      4.034274
  C      -4.242019      1.243737      1.673415
  N      -5.089076      2.285177      1.954945
  C      -5.573371      2.971030      0.916034
  N      -5.319509      2.809363     -0.387886
  C      -4.395923      1.838020     -0.692621
  C      -4.012796      1.680678     -2.046130
  C      -3.048654      0.753716     -2.410681
  C      -2.438783     -0.047070     -1.428075
  C      -2.809863      0.070289     -0.094285
  C      -3.802491      0.997823      0.311282
  C      -3.990614     -0.239999      6.841599
  C      -4.888300      0.075289      8.036606
  O      -5.686408      1.262309      7.791738
  C      -6.893478      1.062317      7.229716
  O      -7.335033     -0.026588      6.910771
  C      -7.657073      2.357937      7.086358
  N      -7.352676      3.320646      7.947142
  C      -8.117535      4.442935      7.910956
  N      -9.166726      4.674533      7.143368
  C      -9.475762      3.705129      6.234220
  C     -10.581936      3.910644      5.370756
  C     -10.886009      2.971585      4.411431
  C     -10.095427      1.802627      4.271267
  C      -9.028861      1.560439      5.112154
  C      -8.707236      2.494911      6.129095
  H      -3.045078      3.753537      8.152532
  H      -4.297139      2.931184      7.194693
  H      -3.593202      5.915164      6.959704
  H      -4.933971      5.209258      7.932099
  H      -8.823689      4.453341      3.342086
  H      -7.628070      6.952616     -0.281989
  H      -5.588912      8.236735     -0.959037
  H      -3.636225      8.359958      0.583340
  H      -3.685913      7.216251      2.774635
  H      -1.523569     -1.456845      5.429828
  H      -0.733320     -1.667475      3.849921
  H      -3.692142     -1.319434      4.546662
  H      -2.915131     -2.514757      3.495215
  H      -6.296052      3.755493      1.163209
  H      -4.496341      2.327418     -2.780992
  H      -2.757671      0.648388     -3.456298
  H      -1.667272     -0.767789     -1.711977
  H      -2.327900     -0.558555      0.650980
  H      -4.629011     -0.284299      5.948636
  H      -3.588497     -1.261200      7.017011
  H      -5.560549     -0.771323      8.234943
  H      -4.312696      0.311447      8.942067
  H      -7.837415      5.228952      8.618239
  H     -11.154445      4.834199      5.480452
  H     -11.729107      3.137410      3.736469
  H     -10.330527      1.086816      3.481903
  H      -8.430407      0.656702      5.005671
  N      -1.969750      2.835512      3.526150
  N      -1.613611      3.531986      2.478558
  H      -1.501010      3.000307      1.604099
  H      -2.108663      4.417534      2.350022
99
Coordinates from ORCA-job orca E -6707.135299398783
  N      -2.646274      3.510289      6.048637
  Mo     -2.437900      1.814005      4.950620
  N      -2.917860      0.688203      6.610533
  C      -1.838057      0.533766      7.573863
  C      -0.884064      1.716722      7.530176
  N      -0.520470      2.054233      6.125121
  C      -0.174922      3.492980      5.984815
  C      -1.454546      4.355008      6.060737
  C       0.550906      1.154001      5.607627
  C       0.147718      0.703037      4.200695
  N      -1.237114      0.301671      4.239028
  H      -1.461685      5.049036      5.211078
  H      -1.434425      4.972020      6.970057
  H       0.299120      3.608823      5.016456
  H       0.548202      3.773585      6.751662
  H       0.808644     -0.110699      3.861043
  H       0.268847      1.551978      3.505607
  H       0.602756      0.277967      6.269145
  H       1.526838      1.668229      5.639380
  H      -2.207948      0.445594      8.612822
  H      -1.283879     -0.410719      7.374976
  H      -1.374300      2.594715      7.961230
  H       0.031424      1.513621      8.111984
  C      -3.558457      3.742705      7.143046
  C      -4.276515      5.084199      7.026939
  O      -5.187449      5.101997      5.901224
  C      -4.756002      5.698694      4.772026
  O      -3.654199      6.213831      4.635379
  C      -5.831561      5.697108      3.708709
  N      -6.943717      5.026819      3.995370
  C      -7.941215      5.047961      3.078519
  N      -7.947576      5.683027      1.918359
  C      -6.811182      6.371597      1.597221
  C      -6.762995      7.046007      0.349517
  C      -5.629810      7.742165     -0.021078
  C      -4.510891      7.794733      0.844024
  C      -4.525565      7.150009      2.066112
  C      -5.673711      6.414986      2.477518
  C      -1.513664     -1.102987      4.393084
  C      -2.874085     -1.502291      3.787834
  O      -3.225806     -0.748404      2.605662
  C      -3.820212      0.457956      2.811877
  O      -4.029036      0.848600      4.035202
  C      -4.234390      1.215580      1.675731
  N      -5.098041      2.225055      1.970500
  C      -5.600445      2.917123      0.949549
  N      -5.348902      2.791466     -0.348398
  C      -4.412524      1.844931     -0.674442
  C      -4.038690      1.721226     -2.029496
  C      -3.063438      0.825069     -2.414579
  C      -2.431835      0.026230     -1.446433
  C      -2.792589      0.113021     -0.108989
  C      -3.797347      1.003634      0.312067
  C      -4.000475     -0.243891      6.847572
  C      -4.897260      0.066146      8.049136
  O      -5.691667      1.260359      7.814550
  C      -6.887651      1.064131      7.229687
  O      -7.325941     -0.031767      6.903610
  C      -7.655813      2.360700      7.084946
  N      -7.335639      3.328904      7.929165
  C      -8.090721      4.451608      7.887343
  N      -9.143094      4.681398      7.128622
  C      -9.469082      3.707294      6.236080
  C     -10.577365      3.912725      5.379849
  C     -10.901265      2.967940      4.430687
  C     -10.131286      1.793070      4.300329
  C      -9.061405      1.550963      5.135248
  C      -8.716526      2.492933      6.138585
  H      -3.057751      3.766810      8.137480
  H      -4.307590      2.943943      7.169133
  H      -3.566623      5.923323      6.933639
  H      -4.910384      5.226104      7.914517
  H      -8.839201      4.477513      3.339739
  H      -7.641468      6.981464     -0.294417
  H      -5.591349      8.254765     -0.984975
  H      -3.621367      8.354357      0.540196
  H      -3.665341      7.197847      2.728637
  H      -1.542779     -1.450970      5.442283
  H      -0.718566     -1.680045      3.906369
  H      -3.675820     -1.384160      4.533262
  H      -2.855319     -2.554932      3.452706
  H      -6.330759      3.684604      1.217936
  H      -4.540023      2.366096     -2.750752
  H      -2.782243      0.740297     -3.466610
  H      -1.651722     -0.670690     -1.745410
  H      -2.294256     -0.515366      0.622404
  H      -4.644173     -0.277364      5.957984
  H      -3.603135     -1.271566      7.012670
  H      -5.572470     -0.778544      8.237017
  H      -4.322682      0.289759      8.957906
  H      -7.801155      5.240965      8.585974
  H     -11.134535      4.839364      5.484670
  H     -11.746533      3.133304      3.764814
  H     -10.385284      1.070877      3.527524
  H      -8.478527      0.642617      5.036411
  N      -1.960869      2.810872      3.520757
  N      -1.641239      3.503518      2.458329
  H      -1.499627      2.982834      1.591228
  H      -2.135895      4.401085      2.337193
99
Coordinates from ORCA-job orca E -6707.136656182695
  N      -2.654169      3.513913      6.068456
  Mo     -2.454952      1.830259      4.948864
  N      -2.912866      0.692539      6.610521
  C      -1.823148      0.540609      7.565914
  C      -0.868402      1.725787      7.512901
  N      -0.522233      2.064311      6.102270
  C      -0.176266      3.502118      5.950900
  C      -1.466558      4.364163      6.080039
  C       0.542290      1.164935      5.567841
  C       0.124555      0.726520      4.159270
  N      -1.259460      0.321716      4.208208
  H      -1.495860      5.089584      5.245718
  H      -1.436438      4.955534      7.013068
  H       0.264025      3.617451      4.947895
  H       0.589755      3.783403      6.698603
  H       0.785178     -0.083440      3.802638
  H       0.234027      1.583586      3.470169
  H       0.598640      0.283317      6.223142
  H       1.519556      1.676226      5.594845
  H      -2.184769      0.452458      8.609006
  H      -1.269739     -0.404697      7.363834
  H      -1.353321      2.604005      7.951542
  H       0.054453      1.522107      8.084287
  C      -3.564963      3.731187      7.169937
  C      -4.289925      5.073500      7.066659
  O      -5.190850      5.099817      5.932446
  C      -4.753728      5.710177      4.812265
  O      -3.653730      6.229590      4.692688
  C      -5.820219      5.712985      3.737610
  N      -6.933535      5.045114      4.015191
  C      -7.922615      5.065816      3.091093
  N      -7.920982      5.699551      1.932086
  C      -6.783132      6.385177      1.619265
  C      -6.727829      7.056947      0.373328
  C      -5.594269      7.750357      0.009840
  C      -4.481318      7.801785      0.880482
  C      -4.502414      7.159257      2.101078
  C      -5.652227      6.427935      2.506482
  C      -1.520436     -1.086679      4.363732
  C      -2.909590     -1.471297      3.811050
  O      -3.276327     -0.738784      2.622390
  C      -3.855188      0.475165      2.819015
  O      -4.056790      0.877191      4.040314
  C      -4.255586      1.228818      1.673738
  N      -5.101638      2.263157      1.953160
  C      -5.589616      2.946622      0.916430
  N      -5.338747      2.790452     -0.382447
  C      -4.416955      1.821844     -0.690118
  C      -4.040783      1.664016     -2.045058
  C      -3.077926      0.741244     -2.412199
  C      -2.462083     -0.052816     -1.428735
  C      -2.827433      0.063868     -0.093921
  C      -3.819412      0.984867      0.311842
  C      -3.994384     -0.237273      6.858353
  C      -4.885706      0.084353      8.056918
  O      -5.689379      1.268099      7.808891
  C      -6.887633      1.060370      7.236032
  O      -7.320036     -0.034615      6.917968
  C      -7.660100      2.351789      7.082174
  N      -7.360836      3.322163      7.932387
  C      -8.129929      4.440265      7.886469
  N      -9.179199      4.661153      7.120503
  C      -9.481751      3.684643      6.218292
  C     -10.584216      3.879879      5.347735
  C     -10.878789      2.933654      4.386549
  C     -10.084309      1.767465      4.257463
  C      -9.021291      1.535085      5.107700
  C      -8.708209      2.477478      6.122531
  H      -3.060649      3.744691      8.164154
  H      -4.309959      2.929943      7.192243
  H      -3.584819      5.915198      6.985615
  H      -4.931486      5.202504      7.950987
  H      -8.821707      4.497528      3.346423
  H      -7.601812      6.992613     -0.275037
  H      -5.550559      8.261585     -0.952632
  H      -3.591284      8.359396      0.581993
  H      -3.647317      7.207895      2.768677
  H      -1.498598     -1.458210      5.417133
  H      -0.732778     -1.651153      3.825984
  H      -3.682512     -1.318328      4.567974
  H      -2.921582     -2.523707      3.506766
  H      -6.307411      3.734087      1.169240
  H      -4.528911      2.306043     -2.779693
  H      -2.793196      0.632824     -3.461617
  H      -1.691011     -0.769489     -1.713765
  H      -2.341793     -0.561519      0.650494
  H      -4.641684     -0.277947      5.971402
  H      -3.598557     -1.262338      7.031024
  H      -5.553896     -0.763204      8.262743
  H      -4.307113      0.328135      8.958213
  H      -7.855946      5.232373      8.591305
  H     -11.159912      4.801339      5.450395
  H     -11.718774      3.091322      3.707069
  H     -10.313765      1.045799      3.472591
  H      -8.419245      0.633433      5.009589
  N      -1.989111      2.838549      3.529124
  N      -1.628522      3.532512      2.480787
  H      -1.513730      3.007990      1.609488
  H      -2.115354      4.433666      2.355163
99
Coordinates from ORCA-job orca E -6707.135502090076
  N      -2.645965      3.523417      6.068511
  Mo     -2.454328      1.856850      4.933857
  N      -2.923602      0.703779      6.576633
  C      -1.840409      0.531554      7.531831
  C      -0.882078      1.710744      7.497864
  N      -0.533549      2.060490      6.093903
  C      -0.181152      3.497606      5.959848
  C      -1.452825      4.363173      6.098030
  C       0.527994      1.160538      5.553459
  C       0.117815      0.745855      4.137496
  N      -1.267720      0.347897      4.172851
  H      -1.476703      5.093616      5.282083
  H      -1.412296      4.937140      7.038153
  H       0.252452      3.615608      4.965273
  H       0.582841      3.770629      6.701968
  H       0.776685     -0.060950      3.769864
  H       0.233479      1.612610      3.464850
  H       0.573385      0.271836      6.194827
  H       1.506165      1.662623      5.593865
  H      -2.208617      0.433694      8.569992
  H      -1.291850     -0.413916      7.319845
  H      -1.363152      2.587136      7.946001
  H       0.036150      1.494621      8.066523
  C      -3.556019      3.728190      7.175152
  C      -4.315532      5.059498      7.074448
  O      -5.220765      5.061727      5.956558
  C      -4.790460      5.665110      4.842192
  O      -3.700701      6.213464      4.720963
  C      -5.853828      5.651672      3.767202
  N      -6.951851      4.967484      4.037614
  C      -7.933040      4.968637      3.108431
  N      -7.937085      5.595610      1.949268
  C      -6.812968      6.296247      1.642136
  C      -6.759115      6.957371      0.392039
  C      -5.635860      7.661827      0.032607
  C      -4.531681      7.735802      0.911547
  C      -4.551914      7.104131      2.135950
  C      -5.691082      6.361163      2.536422
  C      -1.527239     -1.060378      4.314468
  C      -2.929836     -1.423570      3.811035
  O      -3.298792     -0.707486      2.615872
  C      -3.863563      0.519580      2.798769
  O      -4.071670      0.925639      4.006433
  C      -4.239654      1.272180      1.645392
  N      -5.072006      2.338874      1.896200
  C      -5.529800      3.016271      0.837307
  N      -5.263305      2.819610     -0.464235
  C      -4.350674      1.825730     -0.736037
  C      -3.946693      1.640446     -2.078635
  C      -2.990648      0.687457     -2.413435
  C      -2.409158     -0.111187     -1.410273
  C      -2.799989      0.038820     -0.082803
  C      -3.785119      0.993982      0.293999
  C      -4.012443     -0.215824      6.817002
  C      -4.887097      0.095780      8.031355
  O      -5.690957      1.280363      7.808608
  C      -6.902404      1.083502      7.248651
  O      -7.345635      0.001445      6.917004
  C      -7.662537      2.378150      7.116756
  N      -7.367709      3.329301      7.998850
  C      -8.130815      4.451026      7.970508
  N      -9.169323      4.691844      7.187440
  C      -9.468703      3.733595      6.258159
  C     -10.565768      3.947572      5.385718
  C     -10.864495      3.018212      4.422734
  C     -10.074611      1.850971      4.278452
  C      -9.015687      1.601275      5.123108
  C      -8.702498      2.524786      6.150354
  H      -3.041234      3.743534      8.161391
  H      -4.292122      2.916830      7.206083
  H      -3.631472      5.905156      6.983842
  H      -4.962166      5.183797      7.949802
  H      -8.818075      4.385308      3.356270
  H      -7.625599      6.874809     -0.263766
  H      -5.592289      8.164030     -0.934247
  H      -3.649108      8.301676      0.616061
  H      -3.703196      7.169270      2.810840
  H      -1.469066     -1.447772      5.354712
  H      -0.764153     -1.621514      3.735913
  H      -3.680798     -1.226499      4.576882
  H      -2.971798     -2.486721      3.544396
  H      -6.244931      3.812264      1.054155
  H      -4.408010      2.287046     -2.829858
  H      -2.682111      0.562832     -3.448398
  H      -1.644074     -0.855196     -1.672043
  H      -2.340292     -0.588184      0.680401
  H      -4.666240     -0.234396      5.934951
  H      -3.626403     -1.246001      6.971133
  H      -5.554461     -0.751178      8.240213
  H      -4.295152      0.328421      8.925280
  H      -7.855037      5.227965      8.688831
  H     -11.137642      4.870015      5.498115
  H     -11.701474      3.190603      3.743300
  H     -10.303173      1.143527      3.478507
  H      -8.417453      0.699091      5.013882
  N      -1.973325      2.878885      3.527014
  N      -1.618182      3.570194      2.476771
  H      -1.511701      3.032045      1.596300
  H      -2.095965      4.449018      2.347824
99
Coordinates from ORCA-job orca E -6707.137122228980
  N      -2.657809      3.522974      6.081650
  Mo     -2.468525      1.855108      4.941471
  N      -2.915386      0.699802      6.594085
  C      -1.821715      0.537908      7.542087
  C      -0.867666      1.722949      7.495550
  N      -0.532260      2.072288      6.086471
  C      -0.186767      3.510325      5.943278
  C      -1.469013      4.370138      6.106229
  C       0.527830      1.176490      5.537669
  C       0.105910      0.761592      4.124355
  N      -1.277246      0.353527      4.172201
  H      -1.504428      5.116443      5.294793
  H      -1.427318      4.933991      7.055498
  H       0.230875      3.631853      4.935353
  H       0.593175      3.786418      6.675131
  H       0.766889     -0.040000      3.749156
  H       0.209500      1.630793      3.451512
  H       0.581488      0.286471      6.179299
  H       1.505992      1.682585      5.570372
  H      -2.179792      0.441386      8.585031
  H      -1.269708     -0.405991      7.329884
  H      -1.348197      2.597755      7.946200
  H       0.057953      1.512421      8.057701
  C      -3.566395      3.727887      7.186940
  C      -4.303431      5.067478      7.097232
  O      -5.202479      5.097626      5.965563
  C      -4.766170      5.719128      4.853127
  O      -3.673133      6.255351      4.742936
  C      -5.823686      5.715019      3.771145
  N      -6.936698      5.046003      4.039899
  C      -7.914106      5.056620      3.103467
  N      -7.900301      5.680143      1.938899
  C      -6.761662      6.365871      1.634108
  C      -6.690527      7.023253      0.379226
  C      -5.553152      7.712937      0.021949
  C      -4.452254      7.775286      0.908281
  C      -4.489452      7.147215      2.137869
  C      -5.643022      6.419494      2.536217
  C      -1.525135     -1.058254      4.319067
  C      -2.934948     -1.430798      3.837404
  O      -3.322382     -0.728383      2.637494
  C      -3.882731      0.499479      2.815591
  O      -4.082248      0.920249      4.028119
  C      -4.266203      1.243241      1.658583
  N      -5.097858      2.298678      1.918140
  C      -5.571228      2.973943      0.869313
  N      -5.319237      2.787536     -0.427913
  C      -4.409102      1.799265     -0.715637
  C      -4.027857      1.615798     -2.065243
  C      -3.072969      0.676094     -2.413073
  C      -2.470933     -0.110612     -1.415280
  C      -2.842260      0.031150     -0.084929
  C      -3.826052      0.970954      0.302874
  C      -3.999470     -0.225422      6.847105
  C      -4.876803      0.091562      8.058988
  O      -5.691710      1.269552      7.822274
  C      -6.893011      1.056619      7.253542
  O      -7.323482     -0.038580      6.934605
  C      -7.666857      2.345194      7.099964
  N      -7.381612      3.309918      7.963697
  C      -8.153375      4.425317      7.913243
  N      -9.192930      4.647457      7.129787
  C      -9.481386      3.676187      6.217857
  C     -10.574940      3.871869      5.337021
  C     -10.855787      2.930838      4.372262
  C     -10.054265      1.770098      4.243676
  C      -8.999329      1.537528      5.101733
  C      -8.702889      2.473448      6.125636
  H      -3.056373      3.734157      8.177921
  H      -4.307845      2.923973      7.206389
  H      -3.606345      5.914064      7.024527
  H      -4.948759      5.182799      7.979526
  H      -8.813557      4.488192      3.352113
  H      -7.555055      6.949741     -0.281853
  H      -5.496477      8.212285     -0.948155
  H      -3.558655      8.329403      0.614758
  H      -3.643723      7.204336      2.818279
  H      -1.446435     -1.450892      5.358317
  H      -0.766828     -1.609193      3.728497
  H      -3.673050     -1.225258      4.613184
  H      -2.984546     -2.494752      3.581819
  H      -6.279038      3.777316      1.105270
  H      -4.504800      2.253261     -2.811328
  H      -2.783168      0.548845     -3.458289
  H      -1.705837     -0.841063     -1.685568
  H      -2.367523     -0.589129      0.670640
  H      -4.657791     -0.254333      5.967856
  H      -3.607798     -1.254292      7.007497
  H      -5.536769     -0.760095      8.275353
  H      -4.287207      0.339687      8.951445
  H      -7.888164      5.213870      8.622106
  H     -11.155393      4.789760      5.437653
  H     -11.689338      3.089056      3.685475
  H     -10.270907      1.053622      3.450485
  H      -8.391888      0.640198      5.004613
  N      -2.004365      2.878117      3.532019
  N      -1.633197      3.569798      2.485963
  H      -1.533571      3.041362      1.608375
  H      -2.108640      4.470006      2.360748
99
Coordinates from ORCA-job orca E -6707.137013387605
  N      -2.648268      3.522902      6.082684
  Mo     -2.463888      1.851905      4.945117
  N      -2.917690      0.703707      6.600691
  C      -1.820750      0.533956      7.542984
  C      -0.859843      1.714317      7.496313
  N      -0.522555      2.068112      6.087337
  C      -0.176475      3.506259      5.948976
  C      -1.459057      4.368131      6.102473
  C       0.537204      1.174614      5.535753
  C       0.112378      0.756980      4.125062
  N      -1.269852      0.349407      4.181162
  H      -1.491891      5.106252      5.284056
  H      -1.417835      4.939065      7.045388
  H       0.249949      3.630339      4.945941
  H       0.596400      3.780176      6.688400
  H       0.770896     -0.045715      3.751840
  H       0.216587      1.623638      3.448805
  H       0.593782      0.285742      6.179029
  H       1.515032      1.683303      5.564480
  H      -2.174645      0.437165      8.587858
  H      -1.274623     -0.411490      7.325877
  H      -1.335754      2.589500      7.951283
  H       0.065982      1.498172      8.056943
  C      -3.553063      3.729772      7.192284
  C      -4.292800      5.066754      7.100494
  O      -5.191868      5.087529      5.968456
  C      -4.748420      5.691702      4.856285
  O      -3.653676      6.234326      4.748250
  C      -5.805188      5.683981      3.772733
  N      -6.921724      5.022271      4.049754
  C      -7.906395      5.040531      3.121684
  N      -7.897985      5.668163      1.960825
  C      -6.756498      6.347153      1.648690
  C      -6.695323      7.012952      0.401562
  C      -5.557366      7.697161      0.036716
  C      -4.444618      7.742827      0.906321
  C      -4.471460      7.106349      2.128538
  C      -5.627791      6.387802      2.537216
  C      -1.522214     -1.062512      4.310829
  C      -2.929007     -1.442608      3.800934
  O      -3.323251     -0.720566      2.618935
  C      -3.884441      0.502460      2.813204
  O      -4.081163      0.918758      4.029523
  C      -4.268331      1.254251      1.662049
  N      -5.102314      2.302106      1.922704
  C      -5.577252      2.975974      0.871512
  N      -5.323237      2.800017     -0.424321
  C      -4.409566      1.821159     -0.711126
  C      -4.027085      1.643097     -2.062171
  C      -3.071490      0.704640     -2.413092
  C      -2.470045     -0.086526     -1.417696
  C      -2.842882      0.050397     -0.086062
  C      -3.826882      0.989467      0.304742
  C      -4.012882     -0.204421      6.862106
  C      -4.881966      0.129683      8.073245
  O      -5.694897      1.306436      7.826151
  C      -6.893047      1.085114      7.250676
  O      -7.311403     -0.014285      6.929391
  C      -7.678656      2.369298      7.088228
  N      -7.397024      3.347921      7.936417
  C      -8.177224      4.459192      7.881276
  N      -9.222111      4.665866      7.107402
  C      -9.506147      3.680871      6.206623
  C     -10.600978      3.861188      5.322621
  C     -10.876350      2.905900      4.363973
  C     -10.070484      1.745293      4.253850
  C      -9.013762      1.527768      5.115515
  C      -8.719822      2.479520      6.123406
  H      -3.040097      3.740452      8.181391
  H      -4.293827      2.923555      7.216411
  H      -3.596016      5.914333      7.025983
  H      -4.938771      5.183482      7.981971
  H      -8.808094      4.476468      3.375719
  H      -7.568394      6.951386     -0.246913
  H      -5.509478      8.204501     -0.926176
  H      -3.550266      8.291430      0.605565
  H      -3.616458      7.149861      2.795055
  H      -1.453836     -1.457694      5.358950
  H      -0.751630     -1.609897      3.723818
  H      -3.679471     -1.268733      4.576069
  H      -2.960190     -2.499027      3.510681
  H      -6.287375      3.768608      1.105692
  H      -4.503898      2.283685     -2.806407
  H      -2.779762      0.584286     -3.456395
  H      -1.704163     -0.815639     -1.689425
  H      -2.369197     -0.573303      0.668631
  H      -4.674873     -0.229490      5.985386
  H      -3.636255     -1.237113      7.025633
  H      -5.543033     -0.717866      8.300495
  H      -4.287760      0.386390      8.961295
  H      -7.916841      5.258703      8.584455
  H     -11.185566      4.779008      5.411910
  H     -11.710135      3.052058      3.671325
  H     -10.285253      1.016846      3.472024
  H      -8.401991      0.630714      5.029406
  N      -2.003366      2.874827      3.534346
  N      -1.646972      3.564582      2.480515
  H      -1.545457      3.042224      1.607783
  H      -2.121283      4.471496      2.359072
99
Coordinates from ORCA-job orca E -6707.137403738426
  N      -2.672599      3.520310      6.091594
  Mo     -2.481536      1.857272      4.938301
  N      -2.919681      0.699119      6.592794
  C      -1.815661      0.534041      7.529777
  C      -0.863297      1.722440      7.483086
  N      -0.537167      2.084061      6.074504
  C      -0.203175      3.525617      5.933908
  C      -1.488444      4.376046      6.121113
  C       0.526833      1.199540      5.515370
  C       0.098088      0.786332      4.103468
  N      -1.280960      0.367467      4.164117
  H      -1.529927      5.137848      5.322378
  H      -1.445662      4.923142      7.080026
  H       0.197540      3.658594      4.920231
  H       0.584679      3.801893      6.654386
  H       0.762023     -0.009162      3.721398
  H       0.189852      1.658619      3.431619
  H       0.591887      0.306673      6.153953
  H       1.501881      1.714481      5.544115
  H      -2.164138      0.431040      8.575514
  H      -1.263424     -0.407576      7.308099
  H      -1.340988      2.592522      7.944486
  H       0.066955      1.508889      8.037318
  C      -3.580787      3.713086      7.200601
  C      -4.318151      5.050279      7.123759
  O      -5.209468      5.088376      5.984408
  C      -4.764310      5.718584      4.878807
  O      -3.674318      6.264006      4.786758
  C      -5.811126      5.710080      3.784343
  N      -6.928515      5.045415      4.048896
  C      -7.903128      5.060016      3.109479
  N      -7.885359      5.688524      1.949268
  C      -6.742807      6.370882      1.649872
  C      -6.672562      7.038782      0.404818
  C      -5.532300      7.724550      0.051802
  C      -4.426100      7.768776      0.931321
  C      -4.462328      7.130811      2.152100
  C      -5.622157      6.412519      2.549697
  C      -1.517910     -1.048957      4.290206
  C      -2.929580     -1.431308      3.821536
  O      -3.338529     -0.728689      2.628350
  C      -3.893555      0.498740      2.807209
  O      -4.090743      0.922337      4.018876
  C      -4.265911      1.241388      1.644374
  N      -5.084109      2.306921      1.893648
  C      -5.548187      2.978592      0.836794
  N      -5.298403      2.781017     -0.457445
  C      -4.400223      1.781869     -0.736021
  C      -4.021959      1.582167     -2.085488
  C      -3.078158      0.626871     -2.427764
  C      -2.484328     -0.158526     -1.423717
  C      -2.854037     -0.000137     -0.092403
  C      -3.826890      0.955202      0.289272
  C      -4.013493     -0.209538      6.863718
  C      -4.874949      0.126310      8.081366
  O      -5.695919      1.297538      7.838769
  C      -6.895385      1.074485      7.272776
  O      -7.320923     -0.025380      6.963200
  C      -7.675703      2.357309      7.110009
  N      -7.403222      3.326001      7.974062
  C      -8.181942      4.435652      7.921541
  N      -9.218907      4.647136      7.137607
  C      -9.492149      3.672513      6.219473
  C     -10.578767      3.858298      5.328160
  C     -10.842500      2.914465      4.355968
  C     -10.030726      1.761017      4.233021
  C      -8.982018      1.537911      5.101041
  C      -8.703576      2.476272      6.129430
  H      -3.070613      3.714230      8.191503
  H      -4.319645      2.905649      7.213212
  H      -3.622753      5.898349      7.065487
  H      -4.967399      5.151371      8.003816
  H      -8.803876      4.491690      3.352268
  H      -7.540492      6.977215     -0.251696
  H      -5.477359      8.234011     -0.909097
  H      -3.529599      8.318260      0.639711
  H      -3.613355      7.175066      2.827853
  H      -1.417394     -1.456108      5.323844
  H      -0.765547     -1.582088      3.680231
  H      -3.659394     -1.227972      4.610141
  H      -2.979439     -2.497503      3.563620
  H      -6.242528      3.792084      1.065489
  H      -4.492010      2.219506     -2.836529
  H      -2.789804      0.488421     -3.471668
  H      -1.727157     -0.901127     -1.689055
  H      -2.387348     -0.620319      0.669025
  H      -4.682810     -0.234757      5.992311
  H      -3.636721     -1.243392      7.025206
  H      -5.528409     -0.723124      8.320304
  H      -4.274570      0.391691      8.961211
  H      -7.927683      5.227924      8.636933
  H     -11.166793      4.771577      5.425281
  H     -11.670713      3.065017      3.661637
  H     -10.234903      1.043077      3.437738
  H      -8.367143      0.646042      5.008145
  N      -2.023227      2.885685      3.534405
  N      -1.636945      3.567064      2.486615
  H      -1.564944      3.037084      1.610769
  H      -2.101098      4.475310      2.359607
99
Coordinates from ORCA-job orca E -6707.137330018460
  N      -2.662535      3.539235      6.102804
  Mo     -2.491176      1.887831      4.938791
  N      -2.920888      0.715664      6.583102
  C      -1.813723      0.538110      7.511818
  C      -0.857116      1.721922      7.469472
  N      -0.538828      2.089807      6.061182
  C      -0.195984      3.528878      5.927379
  C      -1.473343      4.382506      6.134979
  C       0.513866      1.202931      5.487708
  C       0.076975      0.810717      4.072764
  N      -1.302904      0.396755      4.137441
  H      -1.520166      5.150349      5.349429
  H      -1.415138      4.912944      7.098290
  H       0.192393      3.663225      4.907433
  H       0.607452      3.799123      6.642001
  H       0.733568      0.016572      3.675707
  H       0.171425      1.691489      3.412602
  H       0.571126      0.303600      6.115801
  H       1.492332      1.707347      5.517824
  H      -2.157208      0.427477      8.558128
  H      -1.266268     -0.402942      7.279284
  H      -1.327150      2.591511      7.941294
  H       0.074747      1.499132      8.015766
  C      -3.559552      3.729314      7.217877
  C      -4.303799      5.069409      7.157837
  O      -5.200284      5.115834      6.027721
  C      -4.764044      5.754063      4.924989
  O      -3.683448      6.314711      4.828527
  C      -5.806798      5.735755      3.832143
  N      -6.926197      5.080065      4.101053
  C      -7.892404      5.081746      3.154063
  N      -7.862733      5.687707      1.980848
  C      -6.714102      6.355910      1.673544
  C      -6.619842      6.986220      0.403041
  C      -5.465870      7.647344      0.037998
  C      -4.370376      7.705710      0.931540
  C      -4.431253      7.105365      2.177451
  C      -5.603457      6.410451      2.584321
  C      -1.535460     -1.022107      4.257230
  C      -2.964448     -1.393599      3.850084
  O      -3.393550     -0.716072      2.649170
  C      -3.927786      0.527771      2.813353
  O      -4.120306      0.971784      4.019986
  C      -4.290675      1.259290      1.640890
  N      -5.105770      2.332628      1.873553
  C      -5.560758      2.998997      0.811046
  N      -5.304966      2.786255     -0.477894
  C      -4.410066      1.775716     -0.743900
  C      -4.023988      1.564353     -2.087390
  C      -3.078415      0.608192     -2.413027
  C      -2.491012     -0.166509     -1.396435
  C      -2.870007      0.000262     -0.072951
  C      -3.844481      0.957351      0.292457
  C      -4.011838     -0.199114      6.849547
  C      -4.869588      0.118731      8.078762
  O      -5.706859      1.285012      7.854586
  C      -6.903512      1.057797      7.276716
  O      -7.315406     -0.042102      6.952805
  C      -7.692266      2.335520      7.116421
  N      -7.429185      3.304588      7.981663
  C      -8.209316      4.412185      7.910619
  N      -9.236828      4.621862      7.102705
  C      -9.504353      3.645504      6.194622
  C     -10.587239      3.826510      5.301186
  C     -10.846230      2.880109      4.340349
  C     -10.029135      1.729535      4.219168
  C      -8.984222      1.511283      5.091639
  C      -8.714163      2.451096      6.121498
  H      -3.038977      3.719338      8.204216
  H      -4.299878      2.926053      7.231074
  H      -3.614790      5.924165      7.104139
  H      -4.951980      5.157852      8.042693
  H      -8.795892      4.520643      3.400434
  H      -7.478769      6.912184     -0.265499
  H      -5.390036      8.124341     -0.945507
  H      -3.462073      8.233604      0.630018
  H      -3.589060      7.157320      2.863509
  H      -1.387477     -1.445804      5.278075
  H      -0.812647     -1.546322      3.598631
  H      -3.661016     -1.155235      4.651551
  H      -3.037256     -2.461069      3.628211
  H      -6.251380      3.826057      1.031651
  H      -4.489721      2.193210     -2.848497
  H      -2.785751      0.454571     -3.458561
  H      -1.732752     -0.910779     -1.648866
  H      -2.408239     -0.613963      0.695488
  H      -4.685352     -0.214935      5.982051
  H      -3.631184     -1.235203      6.995769
  H      -5.512738     -0.740735      8.317053
  H      -4.263599      0.382164      8.954258
  H      -7.958188      5.206539      8.610018
  H     -11.178228      4.738141      5.391905
  H     -11.672282      3.026957      3.646519
  H     -10.225795      1.009259      3.420425
  H      -8.365532      0.621370      5.002393
  N      -2.037230      2.928620      3.539686
  N      -1.672627      3.609458      2.485348
  H      -1.594269      3.077400      1.606482
  H      -2.125463      4.519487      2.366291
99
Coordinates from ORCA-job orca E -6707.137688183096
  N      -2.665405      3.538856      6.114146
  Mo     -2.495908      1.893042      4.938031
  N      -2.920457      0.714262      6.581407
  C      -1.808976      0.532646      7.504332
  C      -0.852252      1.716802      7.463753
  N      -0.540191      2.092581      6.056273
  C      -0.202397      3.532803      5.929212
  C      -1.476837      4.385127      6.157350
  C       0.512803      1.210087      5.475172
  C       0.071391      0.824753      4.059551
  N      -1.307778      0.407083      4.126369
  H      -1.525056      5.174163      5.384649
  H      -1.417005      4.898416      7.137002
  H       0.174755      3.674516      4.911344
  H       0.601714      3.798373      6.635294
  H       0.729307      0.034726      3.655104
  H       0.160218      1.709314      3.404165
  H       0.573519      0.306899      6.097769
  H       1.491069      1.716003      5.506087
  H      -2.148237      0.418070      8.551642
  H      -1.262118     -0.407687      7.266096
  H      -1.319481      2.583833      7.942835
  H       0.082221      1.490554      8.004328
  C      -3.565793      3.721845      7.227628
  C      -4.305588      5.060953      7.171981
  O      -5.196778      5.113687      6.035514
  C      -4.754974      5.757666      4.937173
  O      -3.675728      6.327137      4.852207
  C      -5.791716      5.736766      3.836898
  N      -6.917162      5.090665      4.107314
  C      -7.883769      5.097596      3.161454
  N      -7.850359      5.703214      1.989421
  C      -6.696530      6.361661      1.680974
  C      -6.603267      6.994179      0.415468
  C      -5.447440      7.647958      0.049347
  C      -4.348332      7.695068      0.936551
  C      -4.407752      7.092573      2.177966
  C      -5.583439      6.407264      2.587899
  C      -1.534335     -1.012656      4.237767
  C      -2.969102     -1.380255      3.855955
  O      -3.407367     -0.711195      2.654226
  C      -3.935087      0.533647      2.814780
  O      -4.122678      0.979742      4.017660
  C      -4.295367      1.263145      1.640591
  N      -5.098971      2.345425      1.874402
  C      -5.553846      3.009163      0.810476
  N      -5.309070      2.782552     -0.482549
  C      -4.422314      1.767820     -0.746243
  C      -4.044914      1.546307     -2.091064
  C      -3.106835      0.583697     -2.416397
  C      -2.520220     -0.190909     -1.400862
  C      -2.891631     -0.014344     -0.075472
  C      -3.857150      0.951952      0.291190
  C      -4.016260     -0.190600      6.855824
  C      -4.863972      0.140562      8.086175
  O      -5.700342      1.303625      7.854898
  C      -6.895357      1.068235      7.278761
  O      -7.304906     -0.036850      6.962048
  C      -7.692136      2.341661      7.109445
  N      -7.444619      3.318211      7.972859
  C      -8.237998      4.419436      7.900698
  N      -9.264592      4.616124      7.094517
  C      -9.513430      3.632720      6.182486
  C     -10.588724      3.801323      5.272511
  C     -10.826482      2.847642      4.306594
  C      -9.999160      1.701198      4.208782
  C      -8.960786      1.495324      5.094689
  C      -8.708615      2.443817      6.115393
  H      -3.048982      3.707954      8.215440
  H      -4.306498      2.918197      7.232760
  H      -3.614359      5.913359      7.127459
  H      -4.955034      5.144581      8.053516
  H      -8.794009      4.546359      3.410955
  H      -7.465256      6.928704     -0.247775
  H      -5.373502      8.128148     -0.929054
  H      -3.438668      8.217208      0.633760
  H      -3.563671      7.138116      2.859437
  H      -1.366352     -1.444892      5.248897
  H      -0.825012     -1.529418      3.561886
  H      -3.654863     -1.122758      4.665183
  H      -3.054591     -2.454689      3.649415
  H      -6.238093      3.834292      1.025758
  H      -4.509023      2.176147     -2.850866
  H      -2.817235      0.430275     -3.456460
  H      -1.767164     -0.938814     -1.652615
  H      -2.430886     -0.627488      0.693555
  H      -4.694465     -0.204791      5.991438
  H      -3.644300     -1.227969      7.004662
  H      -5.505621     -0.714999      8.337071
  H      -4.252494      0.413974      8.955515
  H      -8.005009      5.219231      8.613808
  H     -11.189543      4.709819      5.351818
  H     -11.646145      2.984692      3.596960
  H     -10.183364      0.975218      3.419648
  H      -8.332679      0.608828      5.019372
  N      -2.047990      2.939207      3.541430
  N      -1.671985      3.618038      2.488370
  H      -1.610120      3.087795      1.610596
  H      -2.117809      4.537005      2.371584
99
Coordinates from ORCA-job orca E -6707.137162077259
  N      -2.685158      3.533516      6.113216
  Mo     -2.497673      1.879704      4.937886
  N      -2.926927      0.712232      6.588070
  C      -1.809541      0.535229      7.507172
  C      -0.856689      1.724767      7.463928
  N      -0.542339      2.105360      6.057525
  C      -0.217001      3.550665      5.927822
  C      -1.503096      4.392528      6.148993
  C       0.519211      1.232065      5.479442
  C       0.079486      0.830486      4.067628
  N      -1.294637      0.400873      4.143971
  H      -1.553597      5.174904      5.370090
  H      -1.452765      4.913567      7.119575
  H       0.163937      3.700764      4.908467
  H       0.583061      3.820593      6.638000
  H       0.743339      0.041339      3.672216
  H       0.161870      1.709760      3.402262
  H       0.591370      0.332424      6.108247
  H       1.492146      1.750777      5.505693
  H      -2.142459      0.419045      8.557059
  H      -1.259648     -0.403481      7.267182
  H      -1.326576      2.589180      7.942873
  H       0.078322      1.502190      8.006616
  C      -3.585146      3.705182      7.236202
  C      -4.339218      5.036959      7.183609
  O      -5.228991      5.078243      6.047100
  C      -4.777826      5.711020      4.953599
  O      -3.695908      6.277814      4.880385
  C      -5.806418      5.684009      3.839094
  N      -6.928289      5.018147      4.091067
  C      -7.889164      5.020953      3.132908
  N      -7.857186      5.645123      1.968922
  C      -6.710546      6.327256      1.683122
  C      -6.629805      6.991242      0.438196
  C      -5.486597      7.674493      0.097429
  C      -4.385354      7.715745      0.988489
  C      -4.431455      7.081279      2.209675
  C      -5.598479      6.371853      2.598263
  C      -1.513637     -1.023370      4.235733
  C      -2.936389     -1.416621      3.811713
  O      -3.389021     -0.725005      2.626845
  C      -3.923420      0.510295      2.801572
  O      -4.108910      0.951997      4.016073
  C      -4.283964      1.242658      1.627444
  N      -5.089918      2.315789      1.858418
  C      -5.543454      2.973576      0.785892
  N      -5.292684      2.760227     -0.502997
  C      -4.404672      1.753368     -0.763376
  C      -4.023834      1.536079     -2.108644
  C      -3.089472      0.564975     -2.439955
  C      -2.507969     -0.216924     -1.427072
  C      -2.879727     -0.035879     -0.095105
  C      -3.843290      0.934712      0.274196
  C      -4.029893     -0.180846      6.873299
  C      -4.871706      0.173647      8.097643
  O      -5.701410      1.334537      7.854447
  C      -6.888548      1.098570      7.271499
  O      -7.300861     -0.007351      6.961565
  C      -7.672359      2.374461      7.096744
  N      -7.412362      3.339970      7.965633
  C      -8.192706      4.443670      7.911035
  N      -9.221522      4.651889      7.124777
  C      -9.482617      3.681120      6.199355
  C     -10.558542      3.864734      5.298609
  C     -10.808961      2.924982      4.314563
  C      -9.994488      1.778261      4.194218
  C      -8.955894      1.557498      5.070672
  C      -8.689810      2.491385      6.106115
  H      -3.063852      3.696328      8.220034
  H      -4.320201      2.891548      7.247634
  H      -3.652989      5.892213      7.141399
  H      -4.993799      5.116007      8.060307
  H      -8.790485      4.446647      3.361216
  H      -7.493039      6.928811     -0.227962
  H      -5.425086      8.183089     -0.861140
  H      -3.486276      8.261856      0.705246
  H      -3.588004      7.127996      2.896561
  H      -1.358922     -1.463233      5.254299
  H      -0.783067     -1.524253      3.571868
  H      -3.637725     -1.215688      4.620701
  H      -2.986184     -2.478299      3.556458
  H      -6.223382      3.799292      1.001825
  H      -4.483673      2.172270     -2.866189
  H      -2.797284      0.416459     -3.477840
  H      -1.757989     -0.971999     -1.682864
  H      -2.423439     -0.652647      0.675081
  H      -4.708464     -0.201068      6.009341
  H      -3.671115     -1.219624      7.034128
  H      -5.513926     -0.674934      8.364294
  H      -4.255389      0.460839      8.958944
  H      -7.947110      5.233981      8.629406
  H     -11.149120      4.773335      5.395413
  H     -11.628503      3.073728      3.609381
  H     -10.190049      1.063170      3.394332
  H      -8.339436      0.670492      4.977838
  N      -2.054714      2.921295      3.542462
  N      -1.685336      3.589297      2.482977
  H      -1.633498      3.054030      1.610921
  H      -2.124870      4.510148      2.364391
99
Coordinates from ORCA-job orca E -6707.137897449163
  N      -2.677164      3.536636      6.111203
  Mo     -2.500607      1.884214      4.938718
  N      -2.928436      0.716655      6.588630
  C      -1.807618      0.534843      7.501954
  C      -0.851902      1.721997      7.459151
  N      -0.541795      2.102646      6.051055
  C      -0.212310      3.545875      5.920743
  C      -1.492288      4.388130      6.147082
  C       0.517274      1.228230      5.468812
  C       0.072134      0.828245      4.059492
  N      -1.303264      0.403482      4.140879
  H      -1.545288      5.167724      5.373060
  H      -1.433990      4.905425      7.116841
  H       0.162183      3.691271      4.898217
  H       0.593366      3.818164      6.625259
  H       0.732110      0.038093      3.662515
  H       0.154777      1.705412      3.394555
  H       0.591215      0.329147      6.095807
  H       1.490710      1.745893      5.490954
  H      -2.137295      0.415856      8.552139
  H      -1.259915     -0.402953      7.256005
  H      -1.317653      2.587021      7.942105
  H       0.084715      1.495200      7.997262
  C      -3.570915      3.713600      7.233161
  C      -4.314792      5.051065      7.190830
  O      -5.204057      5.110275      6.051932
  C      -4.757671      5.757958      4.957869
  O      -3.681285      6.334301      4.886157
  C      -5.788274      5.736409      3.848460
  N      -6.917750      5.093042      4.114989
  C      -7.881396      5.099996      3.163839
  N      -7.843951      5.707559      1.992761
  C      -6.686373      6.362642      1.688555
  C      -6.591741      6.997679      0.426017
  C      -5.432330      7.645288      0.061961
  C      -4.330290      7.681720      0.948106
  C      -4.391149      7.077853      2.187511
  C      -5.572356      6.401982      2.597278
  C      -1.526337     -1.019047      4.228455
  C      -2.951559     -1.407420      3.807530
  O      -3.395924     -0.709625      2.626368
  C      -3.929479      0.526198      2.803355
  O      -4.117335      0.957582      4.008986
  C      -4.286869      1.263912      1.632081
  N      -5.082475      2.349448      1.864902
  C      -5.531158      3.018877      0.800051
  N      -5.286747      2.798595     -0.489189
  C      -4.409734      1.775820     -0.755204
  C      -4.036479      1.549074     -2.103600
  C      -3.107244      0.575405     -2.432036
  C      -2.525034     -0.203795     -1.415801
  C      -2.894448     -0.024878     -0.089703
  C      -3.850799      0.952622      0.280084
  C      -4.031209     -0.176241      6.877560
  C      -4.865770      0.169748      8.114444
  O      -5.709698      1.328724      7.880308
  C      -6.905760      1.085838      7.306791
  O      -7.305314     -0.021104      6.993487
  C      -7.705418      2.355561      7.126133
  N      -7.461685      3.337718      7.984040
  C      -8.254581      4.436688      7.901094
  N      -9.279096      4.625182      7.091801
  C      -9.524361      3.635820      6.183591
  C     -10.597416      3.795232      5.271440
  C     -10.831752      2.835412      4.310039
  C      -9.999297      1.693051      4.212585
  C      -8.962752      1.495983      5.100568
  C      -8.717482      2.449563      6.124058
  H      -3.047971      3.697725      8.217504
  H      -4.309131      2.907342      7.240554
  H      -3.626330      5.907090      7.156804
  H      -4.966537      5.121105      8.073224
  H      -8.791908      4.547210      3.407902
  H      -7.455649      6.938507     -0.236700
  H      -5.357761      8.128253     -0.913487
  H      -3.417329      8.198041      0.645726
  H      -3.546251      7.118901      2.869343
  H      -1.371913     -1.457295      5.243758
  H      -0.799098     -1.521125      3.562151
  H      -3.657546     -1.200221      4.619022
  H      -3.004408     -2.476109      3.551367
  H      -6.202508      3.855541      1.019771
  H      -4.497046      2.182608     -2.864366
  H      -2.821732      0.415931     -3.476036
  H      -1.778793     -0.960371     -1.669205
  H      -2.439718     -0.643801      0.680005
  H      -4.715952     -0.191684      6.017134
  H      -3.668856     -1.217345      7.030487
  H      -5.501059     -0.684682      8.386934
  H      -4.241779      0.456684      8.971706
  H      -8.021460      5.242231      8.605838
  H     -11.199950      4.701779      5.345655
  H     -11.649616      2.965293      3.599348
  H     -10.178031      0.962299      3.419250
  H      -8.332265      0.611965      5.027247
  N      -2.059470      2.929849      3.539422
  N      -1.687431      3.597601      2.477205
  H      -1.652689      3.061792      1.602541
  H      -2.125948      4.517676      2.357182
99
Coordinates from ORCA-job orca E -6707.137697636899
  N      -2.669386      3.554626      6.124834
  Mo     -2.503625      1.912233      4.939016
  N      -2.925088      0.724373      6.573530
  C      -1.808830      0.531374      7.486540
  C      -0.852223      1.714250      7.454338
  N      -0.543997      2.102871      6.050400
  C      -0.207279      3.543438      5.935321
  C      -1.478620      4.397306      6.175566
  C       0.505719      1.225532      5.457789
  C       0.056343      0.844618      4.042218
  N      -1.321670      0.426198      4.118840
  H      -1.527483      5.199673      5.412169
  H      -1.415069      4.898279      7.164988
  H       0.166966      3.693189      4.919843
  H       0.599497      3.800582      6.642219
  H       0.710473      0.053121      3.632970
  H       0.144442      1.731193      3.386798
  H       0.569698      0.318509      6.075540
  H       1.483284      1.731941      5.485730
  H      -2.140795      0.403433      8.534029
  H      -1.262827     -0.404932      7.233394
  H      -1.315518      2.577375      7.944508
  H       0.082837      1.479661      7.989438
  C      -3.563499      3.731342      7.242258
  C      -4.308290      5.069563      7.199847
  O      -5.200296      5.127770      6.066677
  C      -4.761701      5.778362      4.973237
  O      -3.691739      6.362726      4.890166
  C      -5.790587      5.740602      3.869130
  N      -6.914663      5.097497      4.141495
  C      -7.876304      5.093953      3.192421
  N      -7.839940      5.689432      2.015706
  C      -6.684518      6.341722      1.703899
  C      -6.581586      6.956660      0.428526
  C      -5.417383      7.593652      0.055638
  C      -4.320948      7.643597      0.946428
  C      -4.391742      7.061657      2.198931
  C      -5.575050      6.392676      2.613814
  C      -1.543241     -0.997606      4.219387
  C      -2.980752     -1.371434      3.864425
  O      -3.436646     -0.711640      2.659972
  C      -3.949480      0.544083      2.812668
  O      -4.132240      1.002502      4.018547
  C      -4.304262      1.266424      1.631429
  N      -5.104291      2.355110      1.856844
  C      -5.551536      3.015953      0.787732
  N      -5.303202      2.779089     -0.504592
  C      -4.419827      1.758141     -0.759643
  C      -4.035801      1.533633     -2.098957
  C      -3.098855      0.567924     -2.416192
  C      -2.520211     -0.205914     -1.395858
  C      -2.897581     -0.024187     -0.073652
  C      -3.861737      0.945145      0.284294
  C      -4.020710     -0.181834      6.844414
  C      -4.864655      0.145796      8.079402
  O      -5.703731      1.307023      7.858274
  C      -6.890392      1.072744      7.266411
  O      -7.296294     -0.032994      6.944304
  C      -7.686812      2.343070      7.099264
  N      -7.441946      3.316724      7.966103
  C      -8.235053      4.416318      7.892753
  N      -9.258177      4.614018      7.080356
  C      -9.507413      3.632343      6.170459
  C     -10.583674      3.799698      5.264812
  C     -10.823391      2.846502      4.302042
  C      -9.994946      1.702018      4.200065
  C      -8.956885      1.497451      5.085687
  C      -8.703031      2.445209      6.105074
  H      -3.041339      3.709530      8.226398
  H      -4.305660      2.929262      7.245615
  H      -3.620654      5.924211      7.164224
  H      -4.962076      5.142120      8.079885
  H      -8.783726      4.541290      3.441344
  H      -7.440946      6.887791     -0.238004
  H      -5.334541      8.057400     -0.932000
  H      -3.403899      8.150840      0.637370
  H      -3.550307      7.110652      2.884387
  H      -1.350278     -1.443495      5.219878
  H      -0.850081     -1.501738      3.517942
  H      -3.651457     -1.119586      4.682802
  H      -3.059065     -2.441602      3.660734
  H      -6.232148      3.845753      0.994941
  H      -4.494750      2.161710     -2.863522
  H      -2.805535      0.407354     -3.456895
  H      -1.769026     -0.958905     -1.642225
  H      -2.442512     -0.636614      0.698797
  H      -4.697403     -0.192696      5.980118
  H      -3.650665     -1.220773      6.987667
  H      -5.501904     -0.710681      8.334677
  H      -4.248160      0.419801      8.942579
  H      -7.999406      5.214970      8.596992
  H     -11.186006      4.706633      5.347265
  H     -11.644402      2.982073      3.598506
  H     -10.180931      0.975254      3.413318
  H      -8.329131      0.611785      5.009814
  N      -2.060186      2.963064      3.544078
  N      -1.713385      3.632390      2.478734
  H      -1.653163      3.094289      1.604762
  H      -2.143804      4.557861      2.369174
99
Coordinates from ORCA-job orca E -6707.138224056421
  N      -2.675913      3.554630      6.128886
  Mo     -2.509226      1.912729      4.942280
  N      -2.923939      0.727412      6.581933
  C      -1.799856      0.539979      7.489575
  C      -0.845303      1.727682      7.450537
  N      -0.544382      2.116827      6.043119
  C      -0.212827      3.560220      5.919600
  C      -1.488540      4.401928      6.170631
  C       0.507052      1.243143      5.447215
  C       0.053491      0.860992      4.034384
  N      -1.322142      0.434724      4.116830
  H      -1.546552      5.197218      5.412833
  H      -1.421106      4.899611      7.149720
  H       0.148279      3.712210      4.892521
  H       0.604471      3.825630      6.616405
  H       0.710778      0.074592      3.622446
  H       0.133463      1.747708      3.379916
  H       0.577842      0.336516      6.064640
  H       1.482862      1.754846      5.471195
  H      -2.124821      0.412725      8.540188
  H      -1.252090     -0.395630      7.234998
  H      -1.307792      2.589847      7.942216
  H       0.093932      1.496540      7.981717
  C      -3.566922      3.722083      7.252866
  C      -4.315775      5.058025      7.221691
  O      -5.203587      5.120024      6.083911
  C      -4.756161      5.775798      4.996542
  O      -3.685797      6.367523      4.931432
  C      -5.777093      5.742539      3.880304
  N      -6.913396      5.111995      4.147924
  C      -7.872894      5.119771      3.193320
  N      -7.824881      5.718637      2.017820
  C      -6.658291      6.357713      1.711498
  C      -6.549813      6.979948      0.442785
  C      -5.378853      7.607002      0.075340
  C      -4.279027      7.635567      0.963867
  C      -4.353952      7.045376      2.209915
  C      -5.547597      6.391681      2.623334
  C      -1.535100     -0.990593      4.202389
  C      -2.974779     -1.369337      3.851803
  O      -3.443159     -0.705528      2.658491
  C      -3.957569      0.542962      2.817317
  O      -4.135071      0.995646      4.020047
  C      -4.314650      1.264450      1.636847
  N      -5.107767      2.352759      1.859193
  C      -5.556975      3.009769      0.787594
  N      -5.315688      2.772496     -0.501433
  C      -4.439899      1.747722     -0.756677
  C      -4.065404      1.512573     -2.099624
  C      -3.136866      0.536538     -2.419951
  C      -2.556582     -0.235866     -1.398997
  C      -2.924277     -0.041115     -0.071612
  C      -3.880481      0.937250      0.288127
  C      -4.021602     -0.174537      6.864198
  C      -4.860061      0.160895      8.100724
  O      -5.710289      1.315413      7.872803
  C      -6.895405      1.070635      7.281044
  O      -7.289563     -0.037534      6.960725
  C      -7.699093      2.336663      7.102556
  N      -7.465638      3.313387      7.967707
  C      -8.262170      4.408590      7.886623
  N      -9.279193      4.598981      7.070223
  C      -9.513932      3.615417      6.154498
  C     -10.577959      3.777764      5.232231
  C     -10.801632      2.823896      4.261948
  C      -9.968797      1.684111      4.169398
  C      -8.941061      1.484315      5.066878
  C      -8.704237      2.432694      6.094944
  H      -3.040834      3.697582      8.234875
  H      -4.306094      2.915754      7.254932
  H      -3.630431      5.916948      7.196116
  H      -4.970915      5.119208      8.101771
  H      -8.790630      4.577418      3.438765
  H      -7.411904      6.926360     -0.222204
  H      -5.293543      8.078956     -0.905029
  H      -3.356624      8.134445      0.657986
  H      -3.510577      7.079883      2.893652
  H      -1.330039     -1.446339      5.198687
  H      -0.842919     -1.481975      3.490658
  H      -3.644794     -1.122040      4.676702
  H      -3.051053     -2.442120      3.639587
  H      -6.227397      3.848958      0.998333
  H      -4.523998      2.141939     -2.863131
  H      -2.848515      0.373874     -3.457501
  H      -1.811082     -0.995108     -1.646465
  H      -2.469336     -0.651994      0.703302
  H      -4.703642     -0.188188      6.003084
  H      -3.654446     -1.214326      7.011200
  H      -5.489294     -0.698594      8.369658
  H      -4.238632      0.449491      8.957414
  H      -8.040589      5.208967      8.602741
  H     -11.182306      4.681684      5.305882
  H     -11.612579      2.955961      3.543205
  H     -10.141282      0.957316      3.374530
  H      -8.309792      0.602371      4.995857
  N      -2.079998      2.969126      3.546408
  N      -1.733799      3.636493      2.477197
  H      -1.694160      3.101800      1.601322
  H      -2.162254      4.561278      2.367483
99
Coordinates from ORCA-job orca E -6707.137857970215
  N      -2.682198      3.547675      6.123768
  Mo     -2.506981      1.900445      4.935788
  N      -2.931695      0.727595      6.581879
  C      -1.802589      0.533754      7.481337
  C      -0.845714      1.719852      7.443334
  N      -0.543098      2.115146      6.038224
  C      -0.220013      3.559880      5.922099
  C      -1.497461      4.401593      6.172300
  C       0.515039      1.249405      5.441916
  C       0.060707      0.855795      4.034224
  N      -1.311939      0.425075      4.127000
  H      -1.553599      5.208895      5.413832
  H      -1.437339      4.897719      7.163596
  H       0.145936      3.716547      4.905246
  H       0.584670      3.823084      6.621731
  H       0.720692      0.069623      3.629292
  H       0.135748      1.735841      3.372647
  H       0.596587      0.346212      6.060917
  H       1.486133      1.770478      5.460546
  H      -2.122123      0.403522      8.533566
  H      -1.258042     -0.401366      7.219157
  H      -1.305857      2.580563      7.939306
  H       0.093275      1.485085      7.973127
  C      -3.570679      3.707463      7.257566
  C      -4.320829      5.045246      7.237152
  O      -5.210500      5.116455      6.102139
  C      -4.767612      5.775106      5.016320
  O      -3.702458      6.368344      4.955571
  C      -5.786366      5.738162      3.896278
  N      -6.919096      5.098332      4.156528
  C      -7.869564      5.089215      3.189829
  N      -7.817553      5.680808      2.009610
  C      -6.655357      6.328499      1.710847
  C      -6.543716      6.940919      0.437239
  C      -5.377234      7.574309      0.076543
  C      -4.283598      7.616790      0.976441
  C      -4.361168      7.035433      2.226841
  C      -5.552026      6.378251      2.634800
  C      -1.525633     -1.001066      4.193908
  C      -2.953602     -1.399673      3.791565
  O      -3.418763     -0.703541      2.617825
  C      -3.940219      0.536468      2.795255
  O      -4.121562      0.973444      4.004274
  C      -4.292434      1.271982      1.620817
  N      -5.076444      2.367430      1.849043
  C      -5.518851      3.034856      0.779835
  N      -5.278752      2.804933     -0.508289
  C      -4.412934      1.772222     -0.769454
  C      -4.045287      1.531663     -2.119553
  C      -3.124422      0.549430     -2.443399
  C      -2.547443     -0.227970     -1.422859
  C      -2.914996     -0.041987     -0.099585
  C      -3.860698      0.948270      0.268472
  C      -4.040775     -0.151313      6.882075
  C      -4.859430      0.212878      8.122647
  O      -5.709640      1.363939      7.883294
  C      -6.903494      1.107683      7.306024
  O      -7.291512     -0.003962      6.995915
  C      -7.711520      2.369815      7.117603
  N      -7.480991      3.354687      7.976690
  C      -8.283074      4.447365      7.889078
  N      -9.305222      4.626724      7.075953
  C      -9.538625      3.633990      6.168556
  C     -10.610532      3.783347      5.255908
  C     -10.832610      2.820494      4.294080
  C      -9.987679      1.685732      4.197201
  C      -8.952150      1.498455      5.085459
  C      -8.719531      2.454702      6.109534
  H      -3.040870      3.678645      8.238601
  H      -4.307937      2.898680      7.260829
  H      -3.638631      5.902330      7.213827
  H      -4.971000      5.099420      8.118097
  H      -8.780481      4.536186      3.427290
  H      -7.400469      6.874504     -0.236860
  H      -5.289781      8.039577     -0.907145
  H      -3.364631      8.119984      0.675249
  H      -3.523251      7.083614      2.920753
  H      -1.345081     -1.456622      5.198565
  H      -0.809408     -1.483473      3.502537
  H      -3.650237     -1.206933      4.611596
  H      -2.995299     -2.464682      3.526736
  H      -6.178934      3.878628      0.993607
  H      -4.501906      2.163291     -2.884668
  H      -2.842451      0.380122     -3.488685
  H      -1.807848     -0.990520     -1.671942
  H      -2.465950     -0.661823      0.672225
  H      -4.730125     -0.166409      6.025159
  H      -3.690333     -1.193676      7.040000
  H      -5.487521     -0.638136      8.420152
  H      -4.222412      0.517502      8.964878
  H      -8.058225      5.256330      8.588717
  H     -11.222685      4.684703      5.329462
  H     -11.649665      2.942405      3.581472
  H     -10.157617      0.952230      3.404889
  H      -8.313494      0.619722      5.013262
  N      -2.080120      2.953214      3.539739
  N      -1.723373      3.609464      2.467853
  H      -1.712167      3.066662      1.597223
  H      -2.146374      4.539617      2.353542
99
Coordinates from ORCA-job orca E -6707.138438314357
  N      -2.681436      3.557768      6.130453
  Mo     -2.512625      1.913561      4.940995
  N      -2.929039      0.730688      6.581806
  C      -1.799755      0.538579      7.481784
  C      -0.845069      1.726354      7.444933
  N      -0.546121      2.122093      6.039022
  C      -0.219147      3.566329      5.919777
  C      -1.494736      4.406730      6.175331
  C       0.507642      1.254108      5.438579
  C       0.049745      0.866807      4.029144
  N      -1.323984      0.437290      4.120780
  H      -1.553595      5.208713      5.420877
  H      -1.427934      4.900744      7.159847
  H       0.140453      3.721277      4.894756
  H       0.596512      3.830769      6.615601
  H       0.707609      0.080538      3.619054
  H       0.125163      1.750326      3.370491
  H       0.586724      0.348351      6.055686
  H       1.480692      1.771629      5.457442
  H      -2.118883      0.405280      8.533320
  H      -1.252693     -0.394788      7.218572
  H      -1.305556      2.586312      7.941975
  H       0.095097      1.491806      7.972910
  C      -3.567906      3.720673      7.259128
  C      -4.315856      5.056524      7.237438
  O      -5.203179      5.125765      6.099636
  C      -4.758038      5.787871      5.015847
  O      -3.694029      6.388358      4.956637
  C      -5.774633      5.748502      3.895968
  N      -6.912306      5.121577      4.163176
  C      -7.867390      5.122598      3.203850
  N      -7.815175      5.714075      2.025044
  C      -6.646805      6.348027      1.718871
  C      -6.532873      6.959296      0.445559
  C      -5.358512      7.576634      0.076696
  C      -4.260360      7.605653      0.968259
  C      -4.340939      7.027100      2.219158
  C      -5.538714      6.384791      2.634335
  C      -1.534721     -0.989469      4.195934
  C      -2.969679     -1.381156      3.828583
  O      -3.440933     -0.704108      2.643524
  C      -3.954600      0.543366      2.809280
  O      -4.132243      0.990468      4.014589
  C      -4.308891      1.270588      1.630317
  N      -5.093791      2.366646      1.855098
  C      -5.538575      3.028942      0.784256
  N      -5.300626      2.790145     -0.505511
  C      -4.432936      1.758568     -0.762193
  C      -4.062816      1.520175     -2.106493
  C      -3.140889      0.538186     -2.427913
  C      -2.563862     -0.238009     -1.407397
  C      -2.929892     -0.045217     -0.082441
  C      -3.878015      0.941639      0.280176
  C      -4.030664     -0.163347      6.871462
  C      -4.861296      0.182243      8.110878
  O      -5.712521      1.334425      7.879566
  C      -6.897652      1.083577      7.289846
  O      -7.288516     -0.027980      6.976100
  C      -7.704182      2.346234      7.104281
  N      -7.476476      3.327271      7.968055
  C      -8.277510      4.419284      7.882766
  N      -9.294242      4.602275      7.064181
  C      -9.524244      3.613523      6.152092
  C     -10.589387      3.767042      5.230861
  C     -10.808299      2.807766      4.264177
  C      -9.969064      1.671458      4.175633
  C      -8.940751      1.480061      5.074361
  C      -8.708682      2.433987      6.096703
  H      -3.038572      3.691932      8.239189
  H      -4.307194      2.915337      7.260792
  H      -3.631514      5.915475      7.218954
  H      -4.971272      5.109491      8.117320
  H      -8.784208      4.580669      3.447852
  H      -7.393354      6.903866     -0.222107
  H      -5.268753      8.039651     -0.907539
  H      -3.334897      8.095852      0.660458
  H      -3.499380      7.063962      2.906280
  H      -1.333739     -1.447980      5.193382
  H      -0.835146     -1.472719      3.487741
  H      -3.649686     -1.162647      4.654753
  H      -3.026467     -2.450659      3.590943
  H      -6.201095      3.872625      0.995078
  H      -4.519688      2.150698     -2.871356
  H      -2.857633      0.368279     -3.470772
  H      -1.824064     -1.002989     -1.656322
  H      -2.478949     -0.661306      0.690765
  H      -4.715176     -0.177964      6.011732
  H      -3.669173     -1.204574      7.021818
  H      -5.488518     -0.673693      8.392372
  H      -4.233595      0.478042      8.960597
  H      -8.057302      5.224209      8.590030
  H     -11.198883      4.668695      5.301903
  H     -11.620137      2.932782      3.546128
  H     -10.138391      0.940053      3.384923
  H      -8.305488      0.600146      5.007688
  N      -2.088863      2.969825      3.543354
  N      -1.745754      3.629455      2.468666
  H      -1.726507      3.089017      1.596800
  H      -2.167710      4.558485      2.358435
99
Coordinates from ORCA-job orca E -6707.138507541946
  N      -2.680901      3.569085      6.142343
  Mo     -2.517686      1.932667      4.942880
  N      -2.922972      0.738640      6.577201
  C      -1.790416      0.542789      7.471910
  C      -0.837035      1.731338      7.436587
  N      -0.546415      2.133871      6.030861
  C      -0.220486      3.578725      5.917242
  C      -1.493460      4.417194      6.191194
  C       0.503212      1.268114      5.420167
  C       0.038546      0.892362      4.009360
  N      -1.334891      0.460545      4.103276
  H      -1.556898      5.231763      5.448821
  H      -1.421223      4.896821      7.183483
  H       0.129715      3.739291      4.891220
  H       0.600846      3.838457      6.606916
  H       0.695072      0.109952      3.588437
  H       0.109839      1.782181      3.358048
  H       0.582444      0.357590      6.030519
  H       1.477210      1.783129      5.438896
  H      -2.105713      0.403969      8.523929
  H      -1.243754     -0.388792      7.201859
  H      -1.295572      2.588591      7.940514
  H       0.105922      1.494463      7.958495
  C      -3.564968      3.721981      7.275154
  C      -4.317664      5.057220      7.265503
  O      -5.202523      5.130684      6.126988
  C      -4.755620      5.801381      5.049696
  O      -3.696427      6.413389      4.999111
  C      -5.763966      5.755796      3.922823
  N      -6.910353      5.144688      4.190879
  C      -7.861993      5.150081      3.228238
  N      -7.798279      5.733774      2.045649
  C      -6.619286      6.349122      1.737730
  C      -6.491545      6.949762      0.459732
  C      -5.304855      7.544681      0.088201
  C      -4.207719      7.561056      0.981114
  C      -4.302095      6.993840      2.237091
  C      -5.513425      6.376387      2.655727
  C      -1.539257     -0.967508      4.176177
  C      -2.981812     -1.354152      3.852407
  O      -3.469547     -0.697819      2.663011
  C      -3.972942      0.555228      2.819127
  O      -4.143198      1.012966      4.021981
  C      -4.329074      1.272591      1.636340
  N      -5.112094      2.368928      1.854403
  C      -5.558706      3.024118      0.780961
  N      -5.324533      2.777176     -0.506795
  C      -4.459967      1.741088     -0.760163
  C      -4.094361      1.491700     -2.105318
  C      -3.174704      0.506924     -2.423398
  C      -2.596325     -0.263021     -1.399377
  C      -2.957004     -0.056937     -0.071249
  C      -3.902977      0.932270      0.287271
  C      -4.022332     -0.157611      6.867233
  C      -4.851247      0.185993      8.107748
  O      -5.710876      1.332936      7.876129
  C      -6.892596      1.076104      7.278853
  O      -7.273442     -0.035471      6.959239
  C      -7.707033      2.333931      7.093278
  N      -7.490327      3.314095      7.958368
  C      -8.297079      4.402400      7.865943
  N      -9.308432      4.582219      7.038061
  C      -9.526852      3.594362      6.123941
  C     -10.585906      3.744852      5.194273
  C     -10.793062      2.786661      4.227170
  C      -9.945129      1.655151      4.138436
  C      -8.921912      1.466896      5.042653
  C      -8.704247      2.419150      6.074183
  H      -3.032500      3.685227      8.253453
  H      -4.303855      2.915005      7.272108
  H      -3.636657      5.918654      7.254616
  H      -4.975066      5.101214      8.144383
  H      -8.787135      4.620704      3.473619
  H      -7.351117      6.903335     -0.209448
  H      -5.204497      7.998806     -0.899653
  H      -3.272139      8.032241      0.670299
  H      -3.461273      7.020351      2.925257
  H      -1.307422     -1.435123      5.160270
  H      -0.862661     -1.444475      3.441067
  H      -3.641063     -1.111603      4.687269
  H      -3.051235     -2.427152      3.640545
  H      -6.218793      3.872164      0.988836
  H      -4.550614      2.120567     -2.870441
  H      -2.890544      0.338565     -3.458865
  H      -1.857145     -1.027153     -1.643565
  H      -2.504025     -0.666321      0.706087
  H      -4.707480     -0.171635      6.008455
  H      -3.658977     -1.197767      7.016006
  H      -5.472553     -0.674004      8.394429
  H      -4.221611      0.488505      8.954297
  H      -8.089502      5.206523      8.581339
  H     -11.201388      4.643188      5.262752
  H     -11.600684      2.909361      3.504632
  H     -10.103256      0.924721      3.341674
  H      -8.279932      0.590594      4.975957
  N      -2.105990      2.997071      3.547396
  N      -1.783485      3.655486      2.466532
  H      -1.768048      3.115875      1.592504
  H      -2.201761      4.586572      2.362879
99
Coordinates from ORCA-job orca E -6707.138688921492
  N      -2.684556      3.576214      6.148796
  Mo     -2.523245      1.941336      4.944298
  N      -2.922788      0.742834      6.576850
  C      -1.785921      0.546092      7.466374
  C      -0.834209      1.736592      7.431584
  N      -0.548368      2.143936      6.026048
  C      -0.224698      3.589616      5.914003
  C      -1.497332      4.424345      6.196949
  C       0.500160      1.281512      5.408703
  C       0.030618      0.908527      3.999204
  N      -1.341460      0.473116      4.098146
  H      -1.564618      5.241931      5.460640
  H      -1.421503      4.898481      7.189833
  H       0.119584      3.752854      4.885112
  H       0.601166      3.849724      6.599671
  H       0.687420      0.128662      3.574312
  H       0.097145      1.799460      3.349542
  H       0.583548      0.369607      6.015943
  H       1.473221      1.798224      5.424736
  H      -2.096531      0.402566      8.519246
  H      -1.238333     -0.383396      7.190464
  H      -1.291817      2.591746      7.939726
  H       0.110603      1.498916      7.949786
  C      -3.563597      3.722305      7.286891
  C      -4.318682      5.057079      7.288233
  O      -5.203992      5.137052      6.150989
  C      -4.759663      5.818397      5.077550
  O      -3.706448      6.439180      5.032761
  C      -5.762392      5.768230      3.946445
  N      -6.914612      5.168910      4.214949
  C      -7.861306      5.171851      3.247072
  N      -7.787873      5.744761      2.059679
  C      -6.601940      6.345433      1.750644
  C      -6.462441      6.930243      0.466048
  C      -5.267654      7.506283      0.092308
  C      -4.173387      7.518341      0.989180
  C      -4.279258      6.967078      2.251809
  C      -5.499801      6.370853      2.673234
  C      -1.540119     -0.956103      4.164912
  C      -2.983663     -1.348385      3.851567
  O      -3.481570     -0.693859      2.665990
  C      -3.980814      0.559884      2.822360
  O      -4.147209      1.018154      4.024318
  C      -4.338209      1.276418      1.639268
  N      -5.115730      2.377649      1.857379
  C      -5.562378      3.032296      0.783402
  N      -5.333284      2.779823     -0.505245
  C      -4.473544      1.740383     -0.757400
  C      -4.111966      1.487769     -2.101390
  C      -3.196657      0.499302     -2.418512
  C      -2.618691     -0.270497     -1.393973
  C      -2.976387     -0.063121     -0.068332
  C      -3.917046      0.931330      0.290141
  C      -4.021207     -0.154211      6.868991
  C      -4.849631      0.191292      8.109131
  O      -5.711890      1.335306      7.874474
  C      -6.889512      1.074096      7.272260
  O      -7.267366     -0.040066      6.955235
  C      -7.705662      2.329679      7.080393
  N      -7.496274      3.310365      7.947433
  C      -8.305863      4.395679      7.853747
  N      -9.313284      4.572433      7.022756
  C      -9.524143      3.584035      6.106422
  C     -10.577708      3.731880      5.170295
  C     -10.776644      2.773352      4.199036
  C      -9.928106      1.643517      4.119782
  C      -8.910333      1.457753      5.030783
  C      -8.698502      2.411356      6.059215
  H      -3.026302      3.680409      8.262402
  H      -4.301986      2.914948      7.283409
  H      -3.640264      5.919750      7.282880
  H      -4.975090      5.093079      8.167502
  H      -8.791206      4.651209      3.492958
  H      -7.319611      6.885793     -0.206620
  H      -5.158212      7.947708     -0.900866
  H      -3.231132      7.973444      0.675831
  H      -3.440749      6.991204      2.943486
  H      -1.295662     -1.428885      5.144426
  H      -0.868980     -1.425460      3.419652
  H      -3.639591     -1.111648      4.690758
  H      -3.047677     -2.421587      3.636380
  H      -6.218241      3.882144      0.989626
  H      -4.568860      2.114477     -2.868675
  H      -2.918210      0.321367     -3.459184
  H      -1.884078     -1.040507     -1.639369
  H      -2.524569     -0.674115      0.708093
  H      -4.706457     -0.170415      6.010224
  H      -3.657002     -1.193988      7.019230
  H      -5.468051     -0.668729      8.400149
  H      -4.219711      0.498983      8.953359
  H      -8.103915      5.200013      8.569467
  H     -11.194903      4.628563      5.234615
  H     -11.579498      2.893951      3.469059
  H     -10.082077      0.912181      3.325562
  H      -8.267777      0.582515      4.970255
  N      -2.122298      3.010163      3.547283
  N      -1.811379      3.665619      2.460977
  H      -1.807744      3.124231      1.588786
  H      -2.225130      4.598483      2.359516
99
Coordinates from ORCA-job orca E -6707.138846033426
  N      -2.696689      3.590987      6.153222
  Mo     -2.533584      1.953914      4.943534
  N      -2.926384      0.752137      6.575163
  C      -1.781870      0.553043      7.454313
  C      -0.833836      1.746578      7.421977
  N      -0.554768      2.163360      6.018133
  C      -0.237410      3.610526      5.910840
  C      -1.510095      4.440136      6.203416
  C       0.494703      1.309469      5.390612
  C       0.017093      0.934064      3.985930
  N      -1.351539      0.491018      4.096939
  H      -1.581247      5.265076      5.474687
  H      -1.431604      4.908262      7.200827
  H       0.102111      3.777867      4.880388
  H       0.591477      3.871134      6.593373
  H       0.675079      0.157461      3.559171
  H       0.074006      1.822917      3.334134
  H       0.589784      0.397563      5.994858
  H       1.464134      1.833233      5.399135
  H      -2.083893      0.399468      8.508072
  H      -1.232658     -0.371519      7.166178
  H      -1.290816      2.597243      7.937481
  H       0.113711      1.507555      7.934286
  C      -3.566319      3.730251      7.294993
  C      -4.317987      5.062210      7.311524
  O      -5.198258      5.151384      6.169360
  C      -4.752782      5.841893      5.106992
  O      -3.710881      6.483210      5.077513
  C      -5.744929      5.787204      3.966044
  N      -6.909311      5.210402      4.233345
  C      -7.850198      5.218550      3.259150
  N      -7.761890      5.781962      2.068552
  C      -6.563314      6.357871      1.761343
  C      -6.407824      6.928687      0.473823
  C      -5.199888      7.474601      0.101267
  C      -4.107815      7.470150      1.002326
  C      -4.229597      6.934427      2.268711
  C      -5.464237      6.369819      2.688700
  C      -1.540401     -0.940962      4.159270
  C      -2.978968     -1.356207      3.840522
  O      -3.489291     -0.694892      2.662077
  C      -3.985224      0.560133      2.822217
  O      -4.149241      1.016560      4.026273
  C      -4.344406      1.277960      1.638428
  N      -5.114476      2.386354      1.855821
  C      -5.559312      3.040901      0.779285
  N      -5.335353      2.782477     -0.510174
  C      -4.483947      1.736450     -0.760237
  C      -4.128389      1.478110     -2.103768
  C      -3.222410      0.479313     -2.421275
  C      -2.648286     -0.294430     -1.396767
  C      -2.999908     -0.080608     -0.070538
  C      -3.930275      0.924923      0.288260
  C      -4.021253     -0.149119      6.871463
  C      -4.850105      0.194731      8.114537
  O      -5.716871      1.336405      7.880963
  C      -6.891645      1.069480      7.275044
  O      -7.262496     -0.048206      6.961169
  C      -7.712325      2.320208      7.076827
  N      -7.514483      3.302333      7.948530
  C      -8.330886      4.381282      7.853438
  N      -9.334724      4.550534      7.016806
  C      -9.534971      3.560081      6.098727
  C     -10.586422      3.699498      5.160678
  C     -10.775419      2.738833      4.187099
  C      -9.920492      1.614660      4.113617
  C      -8.906166      1.436431      5.031056
  C      -8.701858      2.393532      6.054591
  H      -3.024853      3.681568      8.266570
  H      -4.305873      2.926289      7.288282
  H      -3.638366      5.926980      7.323742
  H      -4.980697      5.083826      8.188707
  H      -8.787587      4.711339      3.502179
  H      -7.263566      6.895739     -0.202124
  H      -5.078295      7.904377     -0.894290
  H      -3.155150      7.900957      0.689069
  H      -3.393860      6.950740      2.965415
  H      -1.288839     -1.414877      5.138626
  H      -0.865502     -1.398503      3.413022
  H      -3.641834     -1.153791      4.684046
  H      -3.017042     -2.426757      3.600761
  H      -6.207118      3.897770      0.984169
  H      -4.582920      2.106859     -2.872134
  H      -2.949298      0.294586     -3.463640
  H      -1.921631     -1.073494     -1.643049
  H      -2.550972     -0.694646      0.705951
  H      -4.707418     -0.170864      6.012902
  H      -3.650595     -1.188260      7.022855
  H      -5.465380     -0.664656      8.409539
  H      -4.219727      0.504263      8.956445
  H      -8.135305      5.187213      8.564787
  H     -11.209911      4.591457      5.223315
  H     -11.576149      2.852831      3.454767
  H     -10.068449      0.880386      3.321590
  H      -8.260254      0.564435      4.976892
  N      -2.150431      3.023134      3.539743
  N      -1.860172      3.668794      2.442608
  H      -1.881236      3.118777      1.577384
  H      -2.266751      4.603953      2.340986
99
Coordinates from ORCA-job orca E -6707.139036361407
  N      -2.701844      3.597943      6.162188
  Mo     -2.537409      1.961606      4.947142
  N      -2.921689      0.754527      6.575957
  C      -1.772826      0.556112      7.450244
  C      -0.828318      1.752958      7.417977
  N      -0.555731      2.175751      6.014320
  C      -0.242592      3.624546      5.910077
  C      -1.516107      4.448958      6.209512
  C       0.493584      1.326649      5.379414
  C       0.010074      0.952495      3.976019
  N      -1.356648      0.504146      4.092767
  H      -1.592235      5.274666      5.485514
  H      -1.434672      4.914929      7.205106
  H       0.094138      3.795368      4.878590
  H       0.588299      3.885218      6.590795
  H       0.669298      0.178876      3.544193
  H       0.059048      1.842954      3.324973
  H       0.595432      0.413151      5.981124
  H       1.461426      1.853912      5.384429
  H      -2.070426      0.397437      8.504738
  H      -1.222225     -0.365792      7.155654
  H      -1.286361      2.600402      7.937818
  H       0.121932      1.515341      7.926251
  C      -3.566660      3.726720      7.310931
  C      -4.325123      5.057590      7.340568
  O      -5.207577      5.154028      6.202035
  C      -4.768101      5.863269      5.146008
  O      -3.734339      6.514177      5.123607
  C      -5.753240      5.804374      3.999535
  N      -6.925968      5.247280      4.265894
  C      -7.859646      5.254774      3.284559
  N      -7.755306      5.800294      2.087042
  C      -6.546766      6.352664      1.780317
  C      -6.372346      6.899609      0.484292
  C      -5.152870      7.416901      0.112339
  C      -4.068147      7.409301      1.022720
  C      -4.209091      6.899338      2.298156
  C      -5.455290      6.362725      2.716321
  C      -1.537906     -0.928229      4.153853
  C      -2.974131     -1.354230      3.841231
  O      -3.496453     -0.694668      2.668558
  C      -3.989914      0.559413      2.830640
  O      -4.147573      1.013297      4.034420
  C      -4.356667      1.276830      1.649925
  N      -5.122592      2.386993      1.872524
  C      -5.571359      3.045664      0.801896
  N      -5.355830      2.787591     -0.488447
  C      -4.511206      1.736604     -0.745608
  C      -4.167408      1.475322     -2.092733
  C      -3.267949      0.474748     -2.416119
  C      -2.690066     -0.300699     -1.395578
  C      -3.031096     -0.086612     -0.067687
  C      -3.953894      0.922049      0.297890
  C      -4.013725     -0.147459      6.875850
  C      -4.843327      0.204546      8.113301
  O      -5.706906      1.343545      7.868839
  C      -6.873459      1.072342      7.254416
  O      -7.242876     -0.047732      6.944248
  C      -7.696503      2.320557      7.049523
  N      -7.506087      3.303838      7.918313
  C      -8.326025      4.380391      7.815297
  N      -9.326306      4.545849      6.973376
  C      -9.518745      3.553888      6.057495
  C     -10.565801      3.689465      5.112510
  C     -10.746783      2.727426      4.141606
  C      -9.886605      1.605649      4.073034
  C      -8.876282      1.430903      4.996217
  C      -8.681047      2.389899      6.021312
  H      -3.018934      3.672469      8.278610
  H      -4.304517      2.919425      7.304506
  H      -3.649924      5.922968      7.356024
  H      -4.985447      5.072134      8.217655
  H      -8.804362      4.762153      3.526972
  H      -7.222760      6.869415     -0.198633
  H      -5.016480      7.826398     -0.890471
  H      -3.106185      7.817325      0.709628
  H      -3.379677      6.916507      3.003052
  H      -1.277555     -1.400866      5.130161
  H      -0.865434     -1.381883      3.401845
  H      -3.638352     -1.166793      4.687867
  H      -2.998035     -2.423709      3.592813
  H      -6.215926      3.902686      1.009837
  H      -4.624628      2.105673     -2.857410
  H      -3.002867      0.289983     -3.459844
  H      -1.968471     -1.080558     -1.645852
  H      -2.579019     -0.702418      0.704644
  H      -4.697740     -0.176874      6.016127
  H      -3.640545     -1.182728      7.035477
  H      -5.459795     -0.651314      8.412682
  H      -4.215029      0.520447      8.954736
  H      -8.138894      5.187142      8.529977
  H     -11.194129      4.579228      5.170714
  H     -11.544764      2.838091      3.406262
  H     -10.028228      0.869810      3.281010
  H      -8.226088      0.560285      4.945699
  N      -2.172121      3.034599      3.540161
  N      -1.912395      3.674946      2.432564
  H      -1.947850      3.121249      1.571284
  H      -2.317714      4.613140      2.336036
99
Coordinates from ORCA-job orca E -6707.139290428834
  N      -2.709792      3.617708      6.174656
  Mo     -2.545531      1.988037      4.948153
  N      -2.907792      0.768413      6.570326
  C      -1.752166      0.572145      7.436670
  C      -0.814928      1.774864      7.402952
  N      -0.557305      2.206998      5.998989
  C      -0.252877      3.658168      5.901402
  C      -1.526642      4.473599      6.223225
  C       0.490598      1.367077      5.349163
  C      -0.003819      1.001656      3.946840
  N      -1.367013      0.542518      4.072079
  H      -1.612734      5.314121      5.513507
  H      -1.439948      4.925221      7.227162
  H       0.073545      3.837146      4.869994
  H       0.582049      3.916936      6.574715
  H       0.656955      0.236296      3.501095
  H       0.030635      1.898353      3.302665
  H       0.602015      0.449383      5.943488
  H       1.456102      1.898311      5.349543
  H      -2.043148      0.406152      8.492142
  H      -1.199149     -0.345320      7.132821
  H      -1.274822      2.616669      7.930895
  H       0.141034      1.541087      7.902441
  C      -3.566581      3.725096      7.335986
  C      -4.334744      5.054833      7.392232
  O      -5.214503      5.164822      6.253688
  C      -4.776468      5.899854      5.213472
  O      -3.754933      6.571066      5.212568
  C      -5.745697      5.837992      4.052943
  N      -6.937836      5.322037      4.314567
  C      -7.856925      5.335595      3.318857
  N      -7.717498      5.849947      2.109699
  C      -6.486334      6.354123      1.806801
  C      -6.271354      6.858932      0.496642
  C      -5.026396      7.318799      0.128674
  C      -3.956572      7.298455      1.056847
  C      -4.137679      6.833281      2.346978
  C      -5.409989      6.353586      2.759987
  C      -1.531401     -0.891438      4.138066
  C      -2.967059     -1.332643      3.856573
  O      -3.515292     -0.690027      2.688839
  C      -4.004944      0.564674      2.846904
  O      -4.153651      1.023876      4.050091
  C      -4.383036      1.273172      1.667014
  N      -5.145517      2.384380      1.891558
  C      -5.603856      3.037160      0.822825
  N      -5.401535      2.772082     -0.468810
  C      -4.563426      1.717586     -0.729219
  C      -4.235606      1.450358     -2.076907
  C      -3.345687      0.444306     -2.406333
  C      -2.761455     -0.329947     -1.389963
  C      -3.085174     -0.107380     -0.059688
  C      -3.997697      0.907232      0.312593
  C      -3.990629     -0.143684      6.871888
  C      -4.828208      0.206785      8.102721
  O      -5.706901      1.335170      7.845273
  C      -6.872291      1.052827      7.225795
  O      -7.230224     -0.066689      6.911985
  C      -7.702675      2.295944      7.018762
  N      -7.528967      3.273317      7.895065
  C      -8.357608      4.343622      7.793960
  N      -9.351714      4.507666      6.946772
  C      -9.524434      3.522933      6.017409
  C     -10.561368      3.659644      5.059575
  C     -10.721725      2.706551      4.075395
  C      -9.851653      1.592287      4.005352
  C      -8.849820      1.416169      4.935062
  C      -8.675227      2.366875      5.976461
  H      -3.009601      3.656700      8.298915
  H      -4.301151      2.912808      7.324430
  H      -3.666610      5.922894      7.419027
  H      -4.993676      5.053181      8.269019
  H      -8.821141      4.878210      3.559845
  H      -7.111099      6.839923     -0.199744
  H      -4.858978      7.692819     -0.885480
  H      -2.974300      7.661103      0.746628
  H      -3.320706      6.845128      3.066457
  H      -1.244195     -1.362116      5.105461
  H      -0.871480     -1.338235      3.369379
  H      -3.621957     -1.150422      4.710939
  H      -2.978583     -2.402183      3.614333
  H      -6.245243      3.896654      1.033148
  H      -4.698403      2.078484     -2.838830
  H      -3.094759      0.250982     -3.453856
  H      -2.049091     -1.118336     -1.647095
  H      -2.627208     -0.722291      0.708307
  H      -4.671279     -0.184711      6.010631
  H      -3.605663     -1.172290      7.039213
  H      -5.436506     -0.657188      8.408531
  H      -4.204123      0.537382      8.944095
  H      -8.187935      5.144524      8.523331
  H     -11.198774      4.542767      5.119956
  H     -11.511815      2.818331      3.329353
  H      -9.978821      0.863129      3.205144
  H      -8.191970      0.551047      4.881845
  N      -2.213434      3.068893      3.538777
  N      -2.002652      3.700788      2.417001
  H      -2.062569      3.141817      1.557011
  H      -2.413969      4.634749      2.327718
99
Coordinates from ORCA-job orca E -6707.139515489064
  N      -2.727541      3.634286      6.191608
  Mo     -2.564790      2.013769      4.947969
  N      -2.901455      0.776035      6.563572
  C      -1.737953      0.582854      7.420712
  C      -0.809372      1.792316      7.386915
  N      -0.568400      2.236630      5.984076
  C      -0.274027      3.690378      5.894697
  C      -1.547863      4.495005      6.242591
  C       0.477872      1.408714      5.315965
  C      -0.027669      1.057898      3.914203
  N      -1.386274      0.584158      4.046175
  H      -1.643598      5.348803      5.549453
  H      -1.453542      4.930600      7.253489
  H       0.037945      3.879163      4.860364
  H       0.568097      3.948300      6.558535
  H       0.635506      0.304959      3.450608
  H      -0.009837      1.962986      3.281840
  H       0.598804      0.485139      5.898734
  H       1.440994      1.943834      5.314080
  H      -2.021406      0.408609      8.477125
  H      -1.181224     -0.329548      7.107813
  H      -1.270928      2.626960      7.924929
  H       0.153006      1.562440      7.875883
  C      -3.578987      3.723807      7.357718
  C      -4.350639      5.048760      7.432220
  O      -5.223224      5.167763      6.287821
  C      -4.784777      5.924158      5.264737
  O      -3.776635      6.615900      5.283494
  C      -5.737485      5.859418      4.091238
  N      -6.948280      5.383923      4.345015
  C      -7.852729      5.407266      3.335418
  N      -7.679036      5.893059      2.118477
  C      -6.427462      6.351996      1.824496
  C      -6.175881      6.824025      0.508693
  C      -4.910065      7.235446      0.152803
  C      -3.855630      7.201506      1.098196
  C      -4.072327      6.770069      2.394029
  C      -5.366585      6.338581      2.794132
  C      -1.528389     -0.851282      4.118505
  C      -2.963173     -1.310201      3.871082
  O      -3.541074     -0.685515      2.708333
  C      -4.027275      0.570181      2.861845
  O      -4.168940      1.035331      4.063531
  C      -4.412228      1.273671      1.681091
  N      -5.170255      2.388469      1.902663
  C      -5.633215      3.036249      0.832819
  N      -5.439336      2.764219     -0.456613
  C      -4.609685      1.701508     -0.716425
  C      -4.298144      1.415680     -2.068808
  C      -3.419530      0.399085     -2.397822
  C      -2.830787     -0.367697     -1.376780
  C      -3.140080     -0.131124     -0.045037
  C      -4.040952      0.894460      0.327401
  C      -3.974031     -0.146569      6.869496
  C      -4.815494      0.198920      8.098468
  O      -5.697758      1.322069      7.834987
  C      -6.856201      1.034613      7.208208
  O      -7.208963     -0.086240      6.893428
  C      -7.689934      2.275042      6.996483
  N      -7.536925      3.245754      7.887063
  C      -8.373072      4.310280      7.783691
  N      -9.356395      4.474020      6.920730
  C      -9.507798      3.496602      5.979809
  C     -10.534702      3.633354      5.013188
  C     -10.672617      2.689390      4.016883
  C      -9.792143      1.582846      3.947197
  C      -8.801899      1.405300      4.889456
  C      -8.648262      2.348159      5.939742
  H      -3.018176      3.645168      8.317456
  H      -4.311519      2.909838      7.338166
  H      -3.684493      5.919078      7.475168
  H      -5.015351      5.033379      8.305275
  H      -8.835463      4.985754      3.571548
  H      -7.005033      6.818844     -0.200515
  H      -4.715727      7.583811     -0.864584
  H      -2.857499      7.528389      0.798018
  H      -3.268790      6.779180      3.129233
  H      -1.210168     -1.319889      5.077203
  H      -0.880709     -1.288953      3.334465
  H      -3.606742     -1.131092      4.733343
  H      -2.964110     -2.382099      3.638491
  H      -6.271186      3.898538      1.040156
  H      -4.762908      2.041075     -2.832615
  H      -3.178272      0.197456     -3.443961
  H      -2.125534     -1.159474     -1.630465
  H      -2.677949     -0.741560      0.725394
  H      -4.656360     -0.195892      6.009916
  H      -3.577128     -1.170002      7.039418
  H      -5.421798     -0.666866      8.401700
  H      -4.197063      0.532399      8.942735
  H      -8.216590      5.106616      8.515567
  H     -11.181801      4.509355      5.075110
  H     -11.453932      2.801778      3.261558
  H      -9.900865      0.860479      3.133520
  H      -8.136346      0.545771      4.836623
  N      -2.264670      3.104068      3.538674
  N      -2.082810      3.732893      2.409924
  H      -2.165733      3.169635      1.555934
  H      -2.497338      4.667087      2.326475
99
Coordinates from ORCA-job orca E -6707.139787182612
  N      -2.743335      3.638723      6.185490
  Mo     -2.576188      2.019052      4.939124
  N      -2.901242      0.776617      6.556513
  C      -1.737401      0.590680      7.414094
  C      -0.814904      1.804091      7.377504
  N      -0.579236      2.250100      5.975101
  C      -0.291295      3.704804      5.888999
  C      -1.567692      4.503732      6.238246
  C       0.470637      1.430197      5.303163
  C      -0.033807      1.085371      3.900862
  N      -1.388394      0.599925      4.033211
  H      -1.665297      5.358520      5.544962
  H      -1.472832      4.939986      7.251441
  H       0.020630      3.896699      4.854724
  H       0.550171      3.965826      6.554256
  H       0.633250      0.341342      3.430423
  H      -0.025350      1.993616      3.275197
  H       0.596186      0.505293      5.881049
  H       1.431302      1.969211      5.303609
  H      -2.021678      0.418691      8.470627
  H      -1.177403     -0.320801      7.104590
  H      -1.280766      2.635984      7.916073
  H       0.149682      1.581306      7.864184
  C      -3.593892      3.724145      7.349363
  C      -4.363391      5.047150      7.427035
  O      -5.233049      5.172342      6.280433
  C      -4.796835      5.941988      5.270350
  O      -3.795601      6.640261      5.297315
  C      -5.741453      5.887706      4.092855
  N      -6.959943      5.426389      4.331937
  C      -7.848649      5.453092      3.307759
  N      -7.648302      5.917677      2.087291
  C      -6.388646      6.362353      1.810723
  C      -6.107219      6.812996      0.494103
  C      -4.832842      7.214909      0.162075
  C      -3.800177      7.197924      1.132416
  C      -4.045969      6.785967      2.427890
  C      -5.347797      6.357100      2.801113
  C      -1.512701     -0.835279      4.127140
  C      -2.939194     -1.321415      3.867383
  O      -3.529084     -0.697319      2.707965
  C      -4.025434      0.556100      2.864648
  O      -4.171681      1.019593      4.066961
  C      -4.415079      1.261896      1.685123
  N      -5.177486      2.372999      1.908479
  C      -5.645662      3.018349      0.837275
  N      -5.451889      2.749652     -0.452629
  C      -4.621459      1.689767     -0.713070
  C      -4.317017      1.403819     -2.066643
  C      -3.445945      0.380269     -2.400798
  C      -2.856760     -0.391850     -1.383370
  C      -3.155333     -0.148916     -0.046434
  C      -4.050078      0.881345      0.330341
  C      -3.963958     -0.157145      6.864099
  C      -4.813047      0.176229      8.093187
  O      -5.694511      1.300820      7.835794
  C      -6.857533      1.016525      7.216095
  O      -7.212752     -0.102877      6.896515
  C      -7.691701      2.259166      7.011156
  N      -7.542159      3.223118      7.909317
  C      -8.379396      4.286688      7.809835
  N      -9.362479      4.454396      6.945843
  C      -9.508784      3.485637      5.997814
  C     -10.534748      3.627821      5.030579
  C     -10.667624      2.693508      4.025937
  C      -9.784974      1.589763      3.948492
  C      -8.796710      1.405539      4.894384
  C      -8.647448      2.339694      5.953085
  H      -3.034916      3.643813      8.309847
  H      -4.324684      2.911301      7.325254
  H      -3.695862      5.919088      7.475304
  H      -5.030776      5.028960      8.300109
  H      -8.839754      5.049001      3.532033
  H      -6.920846      6.801420     -0.233856
  H      -4.616201      7.546803     -0.855158
  H      -2.796331      7.523134      0.853363
  H      -3.261173      6.815150      3.184379
  H      -1.198773     -1.284693      5.099048
  H      -0.846473     -1.275692      3.361222
  H      -3.591882     -1.167473      4.727790
  H      -2.917729     -2.392333      3.625287
  H      -6.286178      3.882188      1.048854
  H      -4.782049      2.034086     -2.827170
  H      -3.208615      0.183173     -3.443139
  H      -2.156780     -1.187972     -1.640118
  H      -2.689709     -0.760435      0.722679
  H      -4.648374     -0.213758      6.006260
  H      -3.553566     -1.176228      7.033729
  H      -5.423196     -0.691082      8.379361
  H      -4.203047      0.497203      8.947268
  H      -8.227997      5.076815      8.553813
  H     -11.185592      4.499726      5.099919
  H     -11.449266      2.809799      3.273820
  H      -9.891271      0.874800      3.129576
  H      -8.129866      0.548073      4.837353
  N      -2.289842      3.104827      3.523302
  N      -2.120633      3.731492      2.390870
  H      -2.212592      3.160522      1.543614
  H      -2.549386      4.660738      2.308153
99
Coordinates from ORCA-job orca E -6707.139989656609
  N      -2.758549      3.644153      6.191743
  Mo     -2.586205      2.028199      4.940486
  N      -2.895324      0.780643      6.558385
  C      -1.727887      0.602342      7.412619
  C      -0.812324      1.820767      7.371369
  N      -0.586395      2.271347      5.968362
  C      -0.308518      3.728295      5.886153
  C      -1.589464      4.517592      6.242334
  C       0.467220      1.461531      5.291070
  C      -0.038554      1.119114      3.888333
  N      -1.388442      0.621836      4.024004
  H      -1.693001      5.372137      5.549991
  H      -1.493781      4.952604      7.254968
  H      -0.001293      3.927526      4.851137
  H       0.533574      3.991617      6.550342
  H       0.631844      0.382409      3.411296
  H      -0.039616      2.030657      3.266410
  H       0.600033      0.535045      5.866229
  H       1.424771      2.007151      5.291926
  H      -2.009011      0.431300      8.470016
  H      -1.164245     -0.306932      7.104511
  H      -1.280744      2.648344      7.913847
  H       0.156852      1.604136      7.852245
  C      -3.607037      3.720154      7.357057
  C      -4.380391      5.037586      7.443064
  O      -5.244154      5.166568      6.290540
  C      -4.804447      5.948594      5.295101
  O      -3.809093      6.660080      5.341542
  C      -5.737901      5.896596      4.107390
  N      -6.971922      5.474995      4.344351
  C      -7.851294      5.515292      3.314071
  N      -7.625552      5.949813      2.088428
  C      -6.350692      6.354138      1.815565
  C      -6.044700      6.776021      0.497689
  C      -4.758200      7.142617      0.172885
  C      -3.735986      7.116778      1.150534
  C      -4.004305      6.730232      2.446580
  C      -5.320203      6.338347      2.813449
  C      -1.497966     -0.813297      4.129902
  C      -2.916026     -1.324937      3.861173
  O      -3.523914     -0.701634      2.710400
  C      -4.030290      0.546683      2.874230
  O      -4.174844      1.008948      4.079146
  C      -4.430293      1.253208      1.698177
  N      -5.192785      2.363810      1.932975
  C      -5.669081      3.015385      0.871104
  N      -5.484511      2.751359     -0.421777
  C      -4.658242      1.690069     -0.694726
  C      -4.367904      1.411690     -2.048782
  C      -3.505911      0.386265     -2.395971
  C      -2.909923     -0.392974     -1.390006
  C      -3.191944     -0.153377     -0.050627
  C      -4.078613      0.877168      0.339471
  C      -3.951248     -0.160206      6.868641
  C      -4.808557      0.170238      8.092163
  O      -5.689775      1.291996      7.827161
  C      -6.847529      1.006060      7.203355
  O      -7.202324     -0.114369      6.883357
  C      -7.682598      2.248314      6.997839
  N      -7.544921      3.205977      7.904879
  C      -8.386529      4.266912      7.808768
  N      -9.363847      4.436959      6.937881
  C      -9.494837      3.476269      5.976593
  C     -10.512203      3.621347      4.998408
  C     -10.631005      2.694627      3.987406
  C      -9.739730      1.595925      3.904191
  C      -8.759052      1.408619      4.857702
  C      -8.627408      2.334198      5.930502
  H      -3.046813      3.638073      8.316127
  H      -4.333386      2.904520      7.328824
  H      -3.715166      5.911648      7.499881
  H      -5.051056      5.011177      8.314758
  H      -8.856889      5.149001      3.538067
  H      -6.850412      6.773894     -0.236181
  H      -4.523371      7.453199     -0.844986
  H      -2.722190      7.414825      0.876888
  H      -3.227224      6.752398      3.207295
  H      -1.187437     -1.245995      5.109700
  H      -0.818715     -1.255614      3.377037
  H      -3.572831     -1.193311      4.724670
  H      -2.874998     -2.393832      3.608818
  H      -6.310580      3.874698      1.091501
  H      -4.839550      2.045308     -2.801352
  H      -3.285224      0.185094     -3.446012
  H      -2.218555     -1.195184     -1.658892
  H      -2.720142     -0.770241      0.708286
  H      -4.634875     -0.225339      6.010966
  H      -3.534226     -1.175745      7.042751
  H      -5.419149     -0.699398      8.369238
  H      -4.207913      0.491016      8.952508
  H      -8.241056      5.053134      8.554229
  H     -11.171039      4.488418      5.071746
  H     -11.408173      2.812264      3.233560
  H      -9.834360      0.887614      3.077966
  H      -8.085416      0.555159      4.797075
  N      -2.321979      3.115191      3.524002
  N      -2.179585      3.737006      2.384895
  H      -2.288429      3.160905      1.542854
  H      -2.625231      4.660564      2.307589
99
Coordinates from ORCA-job orca E -6707.140210795397
  N      -2.771611      3.644763      6.190259
  Mo     -2.595370      2.031315      4.939551
  N      -2.889826      0.781331      6.559756
  C      -1.721391      0.614605      7.414811
  C      -0.812293      1.837899      7.366124
  N      -0.593260      2.287473      5.960846
  C      -0.323180      3.745998      5.878638
  C      -1.608821      4.525454      6.237558
  C       0.464229      1.484482      5.282513
  C      -0.040562      1.143172      3.878258
  N      -1.386326      0.635546      4.014816
  H      -1.718425      5.377452      5.544022
  H      -1.513261      4.960132      7.248154
  H      -0.019554      3.950480      4.843569
  H       0.519006      4.013746      6.542230
  H       0.633082      0.412311      3.396869
  H      -0.047807      2.057535      3.259401
  H       0.600699      0.556785      5.856514
  H       1.419715      2.034879      5.285466
  H      -2.001177      0.448810      8.473367
  H      -1.152740     -0.293773      7.113686
  H      -1.282868      2.663883      7.908884
  H       0.160145      1.628303      7.843626
  C      -3.617657      3.714165      7.358771
  C      -4.393908      5.031413      7.455485
  O      -5.260078      5.171731      6.306155
  C      -4.822760      5.973096      5.320448
  O      -3.828086      6.684808      5.379047
  C      -5.748067      5.933820      4.125144
  N      -6.991360      5.534275      4.353940
  C      -7.856922      5.575341      3.311437
  N      -7.606983      5.979694      2.080292
  C      -6.322884      6.361530      1.816542
  C      -5.989864      6.746935      0.492877
  C      -4.695405      7.096347      0.179995
  C      -3.690541      7.087489      1.175654
  C      -3.984215      6.731423      2.476293
  C      -5.308774      6.355962      2.830783
  C      -1.482017     -0.799844      4.132038
  C      -2.893509     -1.329196      3.862011
  O      -3.515236     -0.710024      2.716257
  C      -4.033842      0.532656      2.883046
  O      -4.178375      0.994111      4.087796
  C      -4.443928      1.236126      1.708873
  N      -5.211551      2.340263      1.950888
  C      -5.695752      2.996333      0.896579
  N      -5.515229      2.740421     -0.396410
  C      -4.688902      1.679208     -0.680486
  C      -4.410315      1.401354     -2.039599
  C      -3.552258      0.375901     -2.395939
  C      -2.946769     -0.402747     -1.394944
  C      -3.217318     -0.165901     -0.053687
  C      -4.100694      0.863954      0.346417
  C      -3.937677     -0.170288      6.866653
  C      -4.805065      0.151961      8.085274
  O      -5.690852      1.270963      7.817368
  C      -6.846081      0.986132      7.188583
  O      -7.200942     -0.133349      6.861452
  C      -7.677741      2.231227      6.984011
  N      -7.547513      3.180261      7.903794
  C      -8.387915      4.241619      7.815389
  N      -9.358050      4.420071      6.940114
  C      -9.479776      3.469913      5.966363
  C     -10.487074      3.624994      4.981706
  C     -10.594795      2.709117      3.956474
  C      -9.708194      1.608972      3.878886
  C      -8.738208      1.411899      4.839781
  C      -8.613069      2.327876      5.913513
  H      -3.053692      3.628278      8.316055
  H      -4.340627      2.896228      7.329403
  H      -3.732088      5.905533      7.512786
  H      -5.057434      4.999665      8.330745
  H      -8.873576      5.237219      3.530983
  H      -6.781853      6.732478     -0.255480
  H      -4.439038      7.378381     -0.843099
  H      -2.669723      7.371350      0.911627
  H      -3.218721      6.760395      3.247230
  H      -1.172822     -1.219405      5.117137
  H      -0.793298     -1.243994      3.386748
  H      -3.548118     -1.206323      4.728197
  H      -2.842117     -2.395700      3.609652
  H      -6.342844      3.846592      1.123575
  H      -4.887571      2.037087     -2.786372
  H      -3.340339      0.177736     -3.446857
  H      -2.257029     -1.201814     -1.668802
  H      -2.738458     -0.783450      0.699909
  H      -4.618043     -0.242659      6.007210
  H      -3.513353     -1.182965      7.042516
  H      -5.412162     -0.725204      8.352903
  H      -4.212220      0.473534      8.951705
  H      -8.246756      5.020912      8.568398
  H     -11.144308      4.491950      5.054619
  H     -11.361420      2.835550      3.187125
  H      -9.795561      0.909041      3.045670
  H      -8.065902      0.558612      4.779432
  N      -2.344238      3.117369      3.520197
  N      -2.216628      3.736017      2.377154
  H      -2.328756      3.155368      1.537541
  H      -2.678271      4.648925      2.301484
99
Coordinates from ORCA-job orca E -6707.140410265913
  N      -2.784185      3.639613      6.193630
  Mo     -2.605913      2.031837      4.940797
  N      -2.886888      0.776020      6.562328
  C      -1.718268      0.619540      7.418053
  C      -0.814449      1.846480      7.362492
  N      -0.602345      2.295064      5.955233
  C      -0.338077      3.755051      5.875049
  C      -1.626502      4.526028      6.241735
  C       0.457255      1.496362      5.275535
  C      -0.045776      1.162046      3.868500
  N      -1.388480      0.645230      4.000446
  H      -1.741884      5.378479      5.551526
  H      -1.529438      4.954737      7.252738
  H      -0.041159      3.965527      4.840087
  H       0.504929      4.024910      6.536122
  H       0.631342      0.438418      3.380429
  H      -0.056767      2.081623      3.257293
  H       0.591968      0.565454      5.844884
  H       1.412363      2.047270      5.284487
  H      -1.996451      0.460069      8.478314
  H      -1.144952     -0.288996      7.125036
  H      -1.284709      2.672055      7.906296
  H       0.160841      1.641482      7.835703
  C      -3.634381      3.704392      7.358378
  C      -4.414381      5.019147      7.458987
  O      -5.280825      5.166058      6.310220
  C      -4.844833      5.981578      5.333609
  O      -3.850839      6.691969      5.398786
  C      -5.763863      5.957782      4.133448
  N      -7.014425      5.575027      4.354177
  C      -7.869865      5.622592      3.301781
  N      -7.600836      6.005553      2.067807
  C      -6.309538      6.371748      1.813574
  C      -5.955837      6.735264      0.488892
  C      -4.656129      7.080883      0.189554
  C      -3.665479      7.086627      1.201422
  C      -3.978558      6.744274      2.502182
  C      -5.308848      6.373046      2.842266
  C      -1.471034     -0.790105      4.120257
  C      -2.881989     -1.323535      3.869369
  O      -3.515173     -0.714127      2.726303
  C      -4.042777      0.522831      2.892470
  O      -4.184838      0.983958      4.093409
  C      -4.462454      1.222119      1.719629
  N      -5.234284      2.322537      1.967047
  C      -5.729122      2.970279      0.909336
  N      -5.553908      2.712153     -0.388176
  C      -4.721168      1.662705     -0.670619
  C      -4.448096      1.386025     -2.029906
  C      -3.591620      0.359878     -2.388965
  C      -2.979427     -0.417019     -1.389990
  C      -3.243465     -0.180886     -0.049870
  C      -4.125310      0.850046      0.354181
  C      -3.929025     -0.180401      6.868789
  C      -4.793858      0.136543      8.090235
  O      -5.680007      1.255157      7.827757
  C      -6.830833      0.973768      7.189990
  O      -7.179675     -0.141891      6.846640
  C      -7.663542      2.219450      6.988813
  N      -7.543367      3.162050      7.914853
  C      -8.381222      4.225434      7.817784
  N      -9.339669      4.411168      6.930033
  C      -9.449373      3.469023      5.950885
  C     -10.442002      3.631977      4.954177
  C     -10.532333      2.724792      3.917228
  C      -9.643908      1.625164      3.843298
  C      -8.688949      1.420381      4.817018
  C      -8.582023      2.326685      5.901710
  H      -3.071934      3.617045      8.315690
  H      -4.355000      2.882851      7.324405
  H      -3.753877      5.893916      7.521240
  H      -5.077211      4.983136      8.333515
  H      -8.896760      5.309566      3.516017
  H      -6.736787      6.710242     -0.272146
  H      -4.383487      7.348414     -0.833605
  H      -2.640405      7.367594      0.949049
  H      -3.221394      6.775125      3.283046
  H      -1.150866     -1.205726      5.101945
  H      -0.785808     -1.233514      3.368478
  H      -3.526281     -1.184813      4.740058
  H      -2.835755     -2.394560      3.633438
  H      -6.380084      3.817955      1.142670
  H      -4.932009      2.017105     -2.777875
  H      -3.388607      0.154913     -3.444645
  H      -2.292880     -1.220526     -1.668683
  H      -2.761012     -0.798724      0.701641
  H      -4.611118     -0.253765      6.010563
  H      -3.502926     -1.192283      7.042009
  H      -5.398668     -0.743612      8.353841
  H      -4.199871      0.456361      8.957646
  H      -8.250472      4.999684      8.579661
  H     -11.100943      4.498399      5.024411
  H     -11.287573      2.857025      3.138627
  H      -9.717926      0.932717      3.003817
  H      -8.014574      0.568364      4.760606
  N      -2.364962      3.121345      3.522667
  N      -2.237284      3.743882      2.380806
  H      -2.340970      3.161635      1.542979
  H      -2.706641      4.655151      2.306016
99
Coordinates from ORCA-job orca E -6707.140607063493
  N      -2.794616      3.639512      6.192750
  Mo     -2.612087      2.033051      4.941582
  N      -2.887787      0.776156      6.564309
  C      -1.719720      0.626333      7.420570
  C      -0.819889      1.855547      7.361828
  N      -0.610205      2.302163      5.953475
  C      -0.349348      3.762799      5.873633
  C      -1.639835      4.529845      6.242603
  C       0.451781      1.505272      5.275399
  C      -0.047907      1.172343      3.867174
  N      -1.388484      0.650068      3.995311
  H      -1.758405      5.382668      5.553235
  H      -1.543371      4.956226      7.255528
  H      -0.055140      3.974874      4.837918
  H       0.493567      4.034605      6.534353
  H       0.632936      0.452369      3.378649
  H      -0.060383      2.093294      3.258793
  H       0.584701      0.573575      5.842613
  H       1.406006      2.056425      5.288436
  H      -1.996932      0.470131      8.481611
  H      -1.142567     -0.281601      7.132183
  H      -1.290159      2.681533      7.905115
  H       0.156330      1.652834      7.833489
  C      -3.647137      3.702781      7.356130
  C      -4.427141      5.016975      7.459207
  O      -5.291315      5.169637      6.308104
  C      -4.853885      5.989356      5.337533
  O      -3.862054      6.701042      5.406694
  C      -5.769249      5.972827      4.136324
  N      -7.023105      5.603568      4.355402
  C      -7.873620      5.652973      3.299155
  N      -7.594158      6.014887      2.061376
  C      -6.299056      6.367046      1.809264
  C      -5.934458      6.710120      0.482336
  C      -4.632288      7.050723      0.187786
  C      -3.649641      7.069369      1.207998
  C      -3.973006      6.741856      2.510703
  C      -5.305832      6.376388      2.845174
  C      -1.463694     -0.785944      4.115794
  C      -2.874741     -1.325421      3.869119
  O      -3.511273     -0.718878      2.725190
  C      -4.046262      0.515351      2.892569
  O      -4.186328      0.976194      4.094937
  C      -4.474118      1.212412      1.720773
  N      -5.249996      2.309039      1.971743
  C      -5.746300      2.963811      0.920012
  N      -5.570829      2.712912     -0.376730
  C      -4.739051      1.660319     -0.666925
  C      -4.470247      1.385208     -2.028336
  C      -3.614845      0.360999     -2.390752
  C      -2.998756     -0.417260     -1.394873
  C      -3.257463     -0.182195     -0.052792
  C      -4.139010      0.846173      0.354339
  C      -3.924667     -0.186239      6.868006
  C      -4.789527      0.122185      8.092474
  O      -5.677486      1.240747      7.839578
  C      -6.826409      0.962837      7.195921
  O      -7.172163     -0.150348      6.842084
  C      -7.657933      2.208869      6.998489
  N      -7.542887      3.146005      7.928379
  C      -8.379055      4.210705      7.831821
  N      -9.330179      4.403087      6.940516
  C      -9.430862      3.468353      5.951430
  C     -10.409444      3.640486      4.938188
  C     -10.492632      2.739609      3.897926
  C      -9.605533      1.639226      3.826026
  C      -8.661357      1.426593      4.808816
  C      -8.566180      2.324343      5.905319
  H      -3.085781      3.613071      8.314307
  H      -4.367231      2.880639      7.319425
  H      -3.765577      5.891173      7.528367
  H      -5.092989      4.976962      8.331761
  H      -8.904694      5.355821      3.511855
  H      -6.709573      6.676069     -0.284650
  H      -4.351357      7.305403     -0.835961
  H      -2.623185      7.347698      0.960488
  H      -3.220586      6.778098      3.297919
  H      -1.140421     -1.200266      5.099610
  H      -0.775912     -1.225794      3.364381
  H      -3.514425     -1.185608      4.741878
  H      -2.827392     -2.396653      3.635122
  H      -6.400137      3.806737      1.156734
  H      -4.957017      2.016943     -2.773985
  H      -3.416093      0.157617     -3.447193
  H      -2.312897     -1.218928     -1.675977
  H      -2.772340     -0.799937      0.698003
  H      -4.605732     -0.260982      6.009250
  H      -3.494501     -1.197255      7.038134
  H      -5.391569     -0.760131      8.352151
  H      -4.194519      0.437837      8.959653
  H      -8.256447      4.979069      8.605291
  H     -11.066511      4.507909      5.004983
  H     -11.239586      2.877920      3.114233
  H      -9.672022      0.952890      2.981503
  H      -7.987034      0.574884      4.752841
  N      -2.376924      3.123474      3.524621
  N      -2.250670      3.745777      2.382845
  H      -2.349520      3.159132      1.546199
  H      -2.725384      4.652987      2.306794
99
Coordinates from ORCA-job orca E -6707.140869719514
  N      -2.813573      3.638125      6.189484
  Mo     -2.618891      2.029218      4.947450
  N      -2.888236      0.776133      6.574324
  C      -1.722179      0.639353      7.433120
  C      -0.830084      1.872683      7.369359
  N      -0.621515      2.314107      5.958759
  C      -0.367903      3.775933      5.876616
  C      -1.664682      4.537317      6.239152
  C       0.447297      1.520112      5.287684
  C      -0.044794      1.180562      3.878220
  N      -1.381668      0.649550      4.001055
  H      -1.787999      5.386079      5.544195
  H      -1.574165      4.968292      7.252268
  H      -0.071098      3.987824      4.841066
  H       0.470534      4.052672      6.541487
  H       0.644157      0.464261      3.394856
  H      -0.059941      2.100560      3.268026
  H       0.579795      0.589330      5.856384
  H       1.399049      2.074967      5.305441
  H      -1.999087      0.488666      8.494890
  H      -1.137594     -0.266517      7.152837
  H      -1.302837      2.699511      7.909103
  H       0.147117      1.675011      7.841151
  C      -3.671200      3.701125      7.352118
  C      -4.450606      5.016192      7.457789
  O      -5.310198      5.178734      6.302201
  C      -4.867247      6.006523      5.341421
  O      -3.875866      6.716491      5.421714
  C      -5.776914      6.001439      4.137507
  N      -7.037046      5.659916      4.357169
  C      -7.882243      5.713885      3.298158
  N      -7.588437      6.038485      2.054343
  C      -6.286829      6.362046      1.802043
  C      -5.909510      6.670570      0.471850
  C      -4.603938      6.997142      0.178994
  C      -3.630140      7.031848      1.205783
  C      -3.965084      6.730758      2.511878
  C      -5.301456      6.380671      2.844039
  C      -1.449838     -0.787090      4.121975
  C      -2.855862     -1.337958      3.859662
  O      -3.488776     -0.726156      2.715599
  C      -4.042803      0.498841      2.892166
  O      -4.178728      0.952170      4.099315
  C      -4.492043      1.195528      1.728696
  N      -5.276674      2.281580      1.996219
  C      -5.782653      2.946693      0.956183
  N      -5.610801      2.714912     -0.343874
  C      -4.777672      1.667205     -0.652352
  C      -4.518955      1.407411     -2.017623
  C      -3.668312      0.385960     -2.398456
  C      -3.044880     -0.405687     -1.419477
  C      -3.287842     -0.178046     -0.069316
  C      -4.166015      0.845381      0.355116
  C      -3.915101     -0.197470      6.873563
  C      -4.781916      0.098052      8.100904
  O      -5.672766      1.217269      7.860909
  C      -6.812535      0.945541      7.199549
  O      -7.151881     -0.165564      6.829778
  C      -7.639728      2.193347      7.002189
  N      -7.537910      3.121918      7.945287
  C      -8.369700      4.190157      7.843732
  N      -9.303039      4.394816      6.934099
  C      -9.390167      3.469138      5.934793
  C     -10.350820      3.652753      4.908315
  C     -10.421656      2.759972      3.861923
  C      -9.535318      1.657945      3.793167
  C      -8.608944      1.434100      4.790300
  C      -8.530002      2.321241      5.896043
  H      -3.111860      3.607926      8.312913
  H      -4.390431      2.878402      7.313043
  H      -3.787913      5.887251      7.535497
  H      -5.120905      4.971881      8.326395
  H      -8.919128      5.445057      3.511107
  H      -6.678577      6.625608     -0.299171
  H      -4.312870      7.229130     -0.846305
  H      -2.601712      7.301201      0.960713
  H      -3.217889      6.774008      3.303631
  H      -1.141090     -1.195455      5.114123
  H      -0.746690     -1.224284      3.384833
  H      -3.499084     -1.209319      4.732794
  H      -2.798545     -2.407134      3.614038
  H      -6.439867      3.784588      1.209545
  H      -5.011592      2.047759     -2.750140
  H      -3.477999      0.197631     -3.453839
  H      -2.363074     -1.204992     -1.714846
  H      -2.797203     -0.801793      0.672324
  H      -4.592045     -0.278478      6.012470
  H      -3.475289     -1.205180      7.042352
  H      -5.379979     -0.787895      8.355235
  H      -4.185423      0.407494      8.968199
  H      -8.254822      4.952020      8.621950
  H     -11.005499      4.522514      4.970195
  H     -11.154132      2.907696      3.065708
  H      -9.587749      0.979753      2.938607
  H      -7.934293      0.582248      4.736632
  N      -2.389667      3.116906      3.528691
  N      -2.272857      3.731826      2.382674
  H      -2.358730      3.137380      1.549636
  H      -2.759451      4.634019      2.302047
99
Coordinates from ORCA-job orca E -6707.141178285659
  N      -2.851887      3.640078      6.193373
  Mo     -2.637468      2.031225      4.958406
  N      -2.886282      0.775364      6.586897
  C      -1.718968      0.657016      7.444565
  C      -0.842703      1.899985      7.376471
  N      -0.644291      2.342226      5.964090
  C      -0.408016      3.807242      5.882246
  C      -1.713040      4.553490      6.244840
  C       0.435264      1.561280      5.293002
  C      -0.052891      1.216616      3.883354
  N      -1.381478      0.664518      4.003157
  H      -1.847284      5.401724      5.550887
  H      -1.628687      4.984365      7.259119
  H      -0.113208      4.022429      4.847505
  H       0.425878      4.092348      6.548067
  H       0.648764      0.512651      3.400376
  H      -0.081769      2.137218      3.274158
  H       0.576117      0.629638      5.859367
  H       1.381429      2.127125      5.314043
  H      -1.992018      0.507048      8.507313
  H      -1.122097     -0.241695      7.167735
  H      -1.321117      2.722743      7.917199
  H       0.139083      1.711802      7.843348
  C      -3.714892      3.697799      7.351335
  C      -4.495182      5.009413      7.462723
  O      -5.343735      5.183551      6.299183
  C      -4.893161      6.030891      5.360801
  O      -3.907793      6.747410      5.467662
  C      -5.787238      6.041873      4.144967
  N      -7.063945      5.757486      4.355153
  C      -7.894595      5.825598      3.284405
  N      -7.569956      6.095395      2.035764
  C      -6.252893      6.362650      1.795340
  C      -5.846382      6.618718      0.464719
  C      -4.528433      6.906807      0.185583
  C      -3.571627      6.952164      1.228111
  C      -3.934054      6.693982      2.534989
  C      -5.282619      6.380719      2.852199
  C      -1.428910     -0.773556      4.124719
  C      -2.824491     -1.346593      3.854199
  O      -3.464603     -0.735675      2.711877
  C      -4.046492      0.475701      2.900219
  O      -4.175128      0.920214      4.112479
  C      -4.531350      1.168873      1.748374
  N      -5.327065      2.241909      2.038302
  C      -5.849489      2.919151      1.014464
  N      -5.686418      2.710699     -0.289501
  C      -4.854539      1.666400     -0.623190
  C      -4.617731      1.418153     -1.996700
  C      -3.777714      0.395951     -2.401515
  C      -3.138933     -0.405618     -1.439491
  C      -3.357904     -0.191159     -0.085075
  C      -4.225105      0.833132      0.364453
  C      -3.893797     -0.218561      6.881592
  C      -4.762175      0.055044      8.113395
  O      -5.657854      1.174480      7.891440
  C      -6.780825      0.913457      7.197449
  O      -7.106426     -0.191415      6.797111
  C      -7.604516      2.163071      7.001768
  N      -7.530454      3.074734      7.962933
  C      -8.357512      4.146669      7.851581
  N      -9.259352      4.370907      6.915339
  C      -9.315680      3.464028      5.898822
  C     -10.240556      3.669088      4.846403
  C     -10.276615      2.796143      3.780012
  C      -9.388295      1.694239      3.718507
  C      -8.497514      1.449065      4.742469
  C      -8.456650      2.314035      5.867744
  H      -3.158809      3.599731      8.312739
  H      -4.432472      2.874428      7.307134
  H      -3.832732      5.878840      7.561024
  H      -5.178760      4.954063      8.320696
  H      -8.946032      5.613420      3.490195
  H      -6.604250      6.569519     -0.317364
  H      -4.213878      7.101581     -0.839477
  H      -2.533931      7.195680      0.994640
  H      -3.199481      6.745514      3.337834
  H      -1.127012     -1.176394      5.121705
  H      -0.710223     -1.199784      3.397433
  H      -3.466669     -1.236553      4.729354
  H      -2.746965     -2.409947      3.595627
  H      -6.513263      3.745634      1.286146
  H      -5.122050      2.065308     -2.715269
  H      -3.607483      0.215876     -3.461458
  H      -2.466201     -1.204037     -1.753007
  H      -2.858721     -0.823522      0.643199
  H      -4.567192     -0.309921      6.018763
  H      -3.434081     -1.218330      7.047779
  H      -5.354596     -0.836411      8.359495
  H      -4.164019      0.355560      8.982599
  H      -8.268918      4.893202      8.649644
  H     -10.897395      4.538964      4.904767
  H     -10.981584      2.960458      2.963888
  H      -9.412794      1.033038      2.852511
  H      -7.820651      0.598181      4.695951
  N      -2.428447      3.117647      3.534532
  N      -2.333907      3.720631      2.381106
  H      -2.408182      3.113897      1.555312
  H      -2.836752      4.611572      2.293237
99
Coordinates from ORCA-job orca E -6707.141551358426
  N      -2.899485      3.635950      6.197889
  Mo     -2.657953      2.024253      4.977725
  N      -2.881542      0.768555      6.612006
  C      -1.713896      0.677976      7.471832
  C      -0.860510      1.935810      7.396929
  N      -0.671214      2.372209      5.981186
  C      -0.457519      3.840347      5.891424
  C      -1.773902      4.567048      6.250850
  C       0.421704      1.604449      5.314109
  C      -0.058106      1.250594      3.904013
  N      -1.376562      0.672826      4.017095
  H      -1.921733      5.413495      5.556957
  H      -1.699400      5.000504      7.265065
  H      -0.164598      4.053511      4.856497
  H       0.370614      4.141766      6.556374
  H       0.661068      0.562144      3.424256
  H      -0.103905      2.170157      3.293944
  H       0.571087      0.673810      5.880834
  H       1.360963      2.182529      5.339359
  H      -1.984429      0.529986      8.535664
  H      -1.099388     -0.210783      7.201109
  H      -1.351402      2.754671      7.932035
  H       0.124999      1.765639      7.863094
  C      -3.776980      3.691920      7.341820
  C      -4.557345      5.001839      7.452439
  O      -5.388077      5.192684      6.277177
  C      -4.930586      6.069417      5.366861
  O      -3.954312      6.792825      5.507019
  C      -5.805084      6.104043      4.137570
  N      -7.096739      5.877623      4.330536
  C      -7.906912      5.955383      3.242932
  N      -7.547896      6.165510      1.992513
  C      -6.217361      6.379244      1.772814
  C      -5.776000      6.576139      0.443496
  C      -4.445620      6.829382      0.185592
  C      -3.512107      6.897035      1.248663
  C      -3.907183      6.686284      2.554608
  C      -5.267688      6.404242      2.849417
  C      -1.401253     -0.766218      4.134856
  C      -2.785511     -1.357155      3.848510
  O      -3.427685     -0.745121      2.707563
  C      -4.049383      0.442223      2.915943
  O      -4.167549      0.873546      4.133928
  C      -4.587762      1.130226      1.783910
  N      -5.397885      2.180489      2.110684
  C      -5.950440      2.869061      1.109371
  N      -5.806031      2.692607     -0.203540
  C      -4.973481      1.663551     -0.572460
  C      -4.770643      1.437409     -1.956045
  C      -3.944814      0.419246     -2.397654
  C      -3.282480     -0.398460     -1.464551
  C      -3.463014     -0.203978     -0.102054
  C      -4.314000      0.817389      0.385386
  C      -3.861404     -0.254344      6.900143
  C      -4.734283     -0.009552      8.133143
  O      -5.635926      1.109459      7.931929
  C      -6.734239      0.863645      7.191746
  O      -7.040603     -0.230712      6.749251
  C      -7.553034      2.116251      6.996288
  N      -7.523897      3.002921      7.985135
  C      -8.347050      4.078098      7.869211
  N      -9.199697      4.331259      6.897017
  C      -9.204609      3.452329      5.849698
  C     -10.069293      3.691790      4.753674
  C     -10.055788      2.847155      3.667728
  C      -9.167341      1.744334      3.620324
  C      -8.330972      1.466774      4.678722
  C      -8.348145      2.299058      5.828779
  H      -3.233533      3.589512      8.308609
  H      -4.492546      2.866999      7.287719
  H      -3.897318      5.869977      7.576669
  H      -5.258319      4.934100      8.294705
  H      -8.971936      5.805570      3.435643
  H      -6.518552      6.515149     -0.353701
  H      -4.102611      6.980381     -0.838351
  H      -2.464398      7.117042      1.031664
  H      -3.189476      6.752833      3.370477
  H      -1.112469     -1.167993      5.135899
  H      -0.662922     -1.177952      3.418437
  H      -3.430880     -1.261538      4.721867
  H      -2.689932     -2.415143      3.576536
  H      -6.622163      3.678380      1.410853
  H      -5.295495      2.092414     -2.653120
  H      -3.806345      0.251821     -3.465733
  H      -2.624763     -1.197308     -1.809668
  H      -2.949360     -0.848542      0.605400
  H      -4.528863     -0.361043      6.034669
  H      -3.373588     -1.241023      7.064933
  H      -5.319580     -0.908405      8.367019
  H      -4.137319      0.281419      9.006824
  H      -8.294151      4.803078      8.685975
  H     -10.724491      4.563633      4.802239
  H     -10.715164      3.038668      2.820954
  H      -9.141051      1.110239      2.726946
  H      -7.649948      0.617602      4.638573
  N      -2.471344      3.105596      3.545300
  N      -2.383649      3.696219      2.385617
  H      -2.434111      3.078720      1.567852
  H      -2.905227      4.576600      2.282219
99
Coordinates from ORCA-job orca E -6707.141931388154
  N      -2.924558      3.640426      6.202214
  Mo     -2.667985      2.027080      4.987212
  N      -2.876682      0.770585      6.621542
  C      -1.704793      0.691388      7.479174
  C      -0.867931      1.961245      7.405615
  N      -0.683883      2.396415      5.990001
  C      -0.485507      3.865727      5.891202
  C      -1.805812      4.579708      6.254862
  C       0.414682      1.637547      5.321594
  C      -0.062689      1.277709      3.913203
  N      -1.375545      0.687379      4.028093
  H      -1.962346      5.427780      5.566726
  H      -1.733958      5.012572      7.268604
  H      -0.198862      4.073389      4.852901
  H       0.343811      4.181069      6.548511
  H       0.664490      0.597009      3.433802
  H      -0.121033      2.194934      3.300870
  H       0.573635      0.709744      5.889509
  H       1.348360      2.223402      5.344078
  H      -1.972454      0.534934      8.542390
  H      -1.080836     -0.188128      7.200363
  H      -1.372341      2.774173      7.937254
  H       0.118539      1.805689      7.873962
  C      -3.807174      3.690832      7.342937
  C      -4.591439      5.001292      7.454686
  O      -5.408016      5.203559      6.272128
  C      -4.948524      6.097104      5.378431
  O      -3.982986      6.828685      5.540574
  C      -5.807497      6.135581      4.138791
  N      -7.105201      5.939507      4.316393
  C      -7.898562      6.013865      3.216111
  N      -7.517247      6.196082      1.966995
  C      -6.180177      6.379130      1.763850
  C      -5.714661      6.542574      0.435511
  C      -4.375150      6.761486      0.194002
  C      -3.456035      6.829547      1.269468
  C      -3.874325      6.651544      2.574532
  C      -5.245708      6.404540      2.853438
  C      -1.390138     -0.751816      4.136829
  C      -2.768742     -1.349261      3.838000
  O      -3.410710     -0.734845      2.699967
  C      -4.052457      0.437462      2.921784
  O      -4.165365      0.858978      4.142274
  C      -4.619375      1.122374      1.801425
  N      -5.430994      2.165973      2.146554
  C      -5.998669      2.858839      1.157510
  N      -5.867719      2.693733     -0.159964
  C      -5.041226      1.667919     -0.545517
  C      -4.860096      1.450362     -1.932525
  C      -4.046824      0.430262     -2.393572
  C      -3.376140     -0.398173     -1.476509
  C      -3.532252     -0.208613     -0.108595
  C      -4.368052      0.815556      0.397805
  C      -3.841079     -0.268507      6.910276
  C      -4.717869     -0.037778      8.142546
  O      -5.628318      1.076691      7.949643
  C      -6.717426      0.833498      7.191383
  O      -7.015495     -0.256184      6.735206
  C      -7.536509      2.085135      6.994311
  N      -7.536689      2.956258      7.997505
  C      -8.357313      4.032088      7.872445
  N      -9.181512      4.298732      6.878708
  C      -9.158869      3.433848      5.823019
  C      -9.995222      3.689189      4.712003
  C      -9.942036      2.865005      3.603205
  C      -9.049851      1.765214      3.562956
  C      -8.246280      1.469149      4.644382
  C      -8.298355      2.283101      5.805978
  H      -3.269293      3.584534      8.312630
  H      -4.520014      2.862966      7.284264
  H      -3.936560      5.870239      7.593646
  H      -5.302000      4.924153      8.287364
  H      -8.968665      5.890532      3.396633
  H      -6.447272      6.484236     -0.371318
  H      -4.014703      6.885513     -0.828811
  H      -2.400256      7.022332      1.063293
  H      -3.167930      6.721259      3.399341
  H      -1.103782     -1.159445      5.135510
  H      -0.645796     -1.152222      3.419559
  H      -3.423024     -1.265601      4.706667
  H      -2.660638     -2.404842      3.555996
  H      -6.668435      3.665493      1.473088
  H      -5.394047      2.111146     -2.617204
  H      -3.926773      0.267419     -3.465307
  H      -2.730787     -1.200924     -1.837942
  H      -3.012417     -0.860475      0.587933
  H      -4.506580     -0.384886      6.045131
  H      -3.335464     -1.245752      7.075135
  H      -5.297249     -0.941568      8.372351
  H      -4.125052      0.252561      9.018769
  H      -8.330389      4.744111      8.701915
  H     -10.655225      4.558085      4.760553
  H     -10.577396      3.070026      2.741936
  H      -9.000630      1.146127      2.668653
  H      -7.565548      0.621029      4.613377
  N      -2.496114      3.105600      3.550331
  N      -2.408533      3.685208      2.385873
  H      -2.460840      3.061543      1.572527
  H      -2.935318      4.561612      2.270914
99
Coordinates from ORCA-job orca E -6707.142088436121
  N      -2.916533      3.626611      6.187879
  Mo     -2.649146      1.997153      4.994930
  N      -2.870273      0.758012      6.637262
  C      -1.696126      0.680105      7.498571
  C      -0.866589      1.957270      7.427908
  N      -0.670928      2.378797      6.012652
  C      -0.477216      3.846022      5.887035
  C      -1.797215      4.564195      6.235019
  C       0.430083      1.613176      5.357185
  C      -0.040206      1.230802      3.953246
  N      -1.356610      0.649412      4.073459
  H      -1.947783      5.406521      5.539787
  H      -1.731350      5.012946      7.241605
  H      -0.187001      4.031450      4.844882
  H       0.351264      4.178662      6.536207
  H       0.686696      0.539323      3.488352
  H      -0.095686      2.136411      3.322809
  H       0.593803      0.697143      5.942572
  H       1.361407      2.202276      5.369530
  H      -1.968361      0.516515      8.559346
  H      -1.071077     -0.195461      7.210506
  H      -1.390753      2.768415      7.943744
  H       0.114314      1.818334      7.912588
  C      -3.816543      3.690376      7.314264
  C      -4.612280      5.000202      7.389320
  O      -5.413768      5.187050      6.197263
  C      -4.950308      6.079516      5.302568
  O      -3.983800      6.806118      5.470974
  C      -5.810134      6.125471      4.061745
  N      -7.103425      5.890889      4.226593
  C      -7.896530      5.978953      3.128533
  N      -7.518342      6.237999      1.890538
  C      -6.185637      6.465048      1.700127
  C      -5.725556      6.717561      0.382719
  C      -4.389983      6.970592      0.156291
  C      -3.468233      6.988803      1.229284
  C      -3.879661      6.730723      2.521244
  C      -5.250172      6.454318      2.787426
  C      -1.392003     -0.789221      4.175836
  C      -2.774160     -1.363152      3.841601
  O      -3.385805     -0.735375      2.693428
  C      -4.041491      0.429101      2.923797
  O      -4.157997      0.843367      4.145373
  C      -4.620964      1.117361      1.809943
  N      -5.430455      2.161105      2.167126
  C      -6.004314      2.858610      1.187054
  N      -5.876624      2.703371     -0.132607
  C      -5.054346      1.678534     -0.528167
  C      -4.877575      1.473053     -1.916453
  C      -4.065006      0.456131     -2.389077
  C      -3.395689     -0.381892     -1.479788
  C      -3.551668     -0.209182     -0.113113
  C      -4.380001      0.816091      0.405259
  C      -3.834229     -0.280913      6.939085
  C      -4.706192     -0.043515      8.172353
  O      -5.622429      1.067928      7.982584
  C      -6.719333      0.816432      7.234164
  O      -7.022966     -0.276327      6.791945
  C      -7.544505      2.064196      7.032202
  N      -7.547901      2.937812      8.032329
  C      -8.366188      4.013094      7.897286
  N      -9.187709      4.274657      6.898217
  C      -9.170445      3.401383      5.854696
  C     -10.011898      3.652156      4.750325
  C      -9.954833      2.826333      3.639870
  C      -9.064892      1.726778      3.607584
  C      -8.261152      1.432325      4.690253
  C      -8.308666      2.252255      5.842328
  H      -3.296812      3.604061      8.294890
  H      -4.523809      2.855233      7.258690
  H      -3.964867      5.875927      7.523638
  H      -5.334188      4.931029      8.212924
  H      -8.964529      5.815641      3.301003
  H      -6.460987      6.697839     -0.421669
  H      -4.038030      7.161270     -0.857099
  H      -2.414612      7.203814      1.031564
  H      -3.171140      6.761334      3.343341
  H      -1.124828     -1.210606      5.174219
  H      -0.645411     -1.192199      3.463660
  H      -3.453600     -1.273984      4.691430
  H      -2.674371     -2.420115      3.559595
  H      -6.670855      3.666531      1.509310
  H      -5.414534      2.139664     -2.594406
  H      -3.949220      0.297355     -3.468217
  H      -2.753574     -1.184197     -1.851118
  H      -3.033665     -0.871876      0.574350
  H      -4.506735     -0.401993      6.080713
  H      -3.322750     -1.252987      7.105270
  H      -5.285469     -0.947031      8.408375
  H      -4.113569      0.250793      9.047781
  H      -8.348966      4.725910      8.732054
  H     -10.668072      4.522214      4.795094
  H     -10.586230      3.032777      2.770270
  H      -9.013627      1.106954      2.715453
  H      -7.584254      0.583080      4.662516
  N      -2.448328      3.056153      3.547357
  N      -2.310796      3.624396      2.382827
  H      -2.352198      2.999977      1.568521
  H      -2.823595      4.504142      2.239636
99
Coordinates from ORCA-job orca E -6707.142627337005
  N      -2.936739      3.646146      6.206253
  Mo     -2.666531      2.021725      4.999775
  N      -2.861040      0.768245      6.633484
  C      -1.676657      0.690903      7.483628
  C      -0.863145      1.979411      7.419650
  N      -0.679942      2.414961      6.007245
  C      -0.503012      3.883714      5.888233
  C      -1.823885      4.588415      6.255839
  C       0.421141      1.666237      5.335028
  C      -0.059445      1.288325      3.933201
  N      -1.370138      0.695619      4.066875
  H      -1.981495      5.441923      5.574309
  H      -1.751730      5.026091      7.268051
  H      -0.224721      4.077351      4.843610
  H       0.330348      4.221282      6.529433
  H       0.665570      0.604100      3.455154
  H      -0.128914      2.196258      3.307234
  H       0.602509      0.749329      5.914588
  H       1.346968      2.265613      5.339807
  H      -1.939670      0.509058      8.543509
  H      -1.046048     -0.173620      7.176157
  H      -1.400917      2.776554      7.943952
  H       0.121831      1.853750      7.900757
  C      -3.827973      3.694126      7.342265
  C      -4.629400      5.000355      7.428409
  O      -5.419464      5.194480      6.229976
  C      -4.964575      6.105734      5.348917
  O      -4.014226      6.848573      5.527817
  C      -5.808004      6.138166      4.099006
  N      -7.108404      5.948846      4.253848
  C      -7.882828      6.035826      3.143411
  N      -7.480289      6.251371      1.904529
  C      -6.138216      6.422875      1.724147
  C      -5.649128      6.620466      0.405606
  C      -4.302324      6.812053      0.193364
  C      -3.396305      6.826981      1.280035
  C      -3.837492      6.626884      2.573845
  C      -5.220590      6.410777      2.824278
  C      -1.390237     -0.743180      4.172287
  C      -2.765690     -1.339926      3.843266
  O      -3.399457     -0.717947      2.703160
  C      -4.061363      0.444157      2.940844
  O      -4.172122      0.859364      4.162676
  C      -4.655757      1.129925      1.834240
  N      -5.460078      2.173156      2.201173
  C      -6.048381      2.864735      1.224788
  N      -5.933962      2.711011     -0.096704
  C      -5.120247      1.686069     -0.498791
  C      -4.963000      1.479713     -1.888020
  C      -4.165397      0.455045     -2.370817
  C      -3.495394     -0.390820     -1.470015
  C      -3.632035     -0.216143     -0.101922
  C      -4.440525      0.819976      0.427619
  C      -3.814314     -0.281733      6.933977
  C      -4.693590     -0.056864      8.165276
  O      -5.614997      1.049456      7.968504
  C      -6.699191      0.796436      7.204570
  O      -6.993466     -0.296470      6.754028
  C      -7.527726      2.043858      6.996259
  N      -7.563197      2.903486      8.005784
  C      -8.387206      3.973756      7.868077
  N      -9.184494      4.243666      6.854345
  C      -9.129637      3.386750      5.793991
  C      -9.936846      3.651272      4.661065
  C      -9.851283      2.839247      3.552649
  C      -8.959970      1.741960      3.534874
  C      -8.183024      1.436114      4.631705
  C      -8.264190      2.241370      5.793201
  H      -3.301486      3.602312      8.320706
  H      -4.531257      2.858216      7.285951
  H      -3.986442      5.877092      7.573247
  H      -5.353406      4.922308      8.249699
  H      -8.957478      5.910720      3.306730
  H      -6.371857      6.605503     -0.409964
  H      -3.929773      6.958658     -0.821529
  H      -2.333917      6.995216      1.092439
  H      -3.141056      6.661004      3.409367
  H      -1.104755     -1.161964      5.167061
  H      -0.648633     -1.136998      3.451493
  H      -3.447556     -1.273636      4.694084
  H      -2.646256     -2.393368      3.556782
  H      -6.709814      3.675034      1.556436
  H      -5.502416      2.152547     -2.557988
  H      -4.061603      0.298601     -3.448670
  H      -2.867079     -1.202097     -1.849549
  H      -3.111042     -0.885783      0.575698
  H      -4.488733     -0.405129      6.076922
  H      -3.292010     -1.249247      7.094657
  H      -5.270028     -0.967180      8.387471
  H      -4.113458      0.235015      9.051095
  H      -8.400818      4.673034      8.715955
  H     -10.594674      4.518764      4.693972
  H     -10.457234      3.056370      2.665899
  H      -8.875373      1.135935      2.627668
  H      -7.500913      0.589240      4.606201
  N      -2.489586      3.084568      3.547417
  N      -2.371879      3.640141      2.373324
  H      -2.428517      3.009486      1.565337
  H      -2.884006      4.520600      2.228147
99
Coordinates from ORCA-job orca E -6707.142794127388
  N      -2.951480      3.644890      6.207849
  Mo     -2.673595      2.023231      5.003006
  N      -2.858768      0.768075      6.636654
  C      -1.675618      0.698056      7.486673
  C      -0.872322      1.990856      7.421461
  N      -0.688756      2.425052      6.008360
  C      -0.519268      3.894906      5.893074
  C      -1.844467      4.592446      6.263002
  C       0.416686      1.680931      5.339967
  C      -0.059230      1.302084      3.936051
  N      -1.368085      0.705949      4.066194
  H      -2.002944      5.445043      5.580671
  H      -1.772758      5.027426      7.276573
  H      -0.245547      4.094488      4.847514
  H       0.314584      4.235110      6.535375
  H       0.666014      0.619243      3.457332
  H      -0.125452      2.211707      3.313087
  H       0.599091      0.764179      5.918705
  H       1.340187      2.283865      5.348764
  H      -1.937174      0.516806      8.546712
  H      -1.038282     -0.163199      7.183335
  H      -1.418255      2.784091      7.943152
  H       0.112113      1.874956      7.905446
  C      -3.848877      3.690757      7.336286
  C      -4.658587      4.989101      7.416071
  O      -5.437267      5.175638      6.208161
  C      -4.981220      6.096652      5.339541
  O      -4.036912      6.847670      5.529280
  C      -5.811461      6.136707      4.081267
  N      -7.113542      5.954464      4.222562
  C      -7.872135      6.050589      3.101438
  N      -7.453732      6.247082      1.866083
  C      -6.109317      6.409107      1.700192
  C      -5.600204      6.586418      0.387335
  C      -4.251794      6.781417      0.193391
  C      -3.364873      6.818948      1.297388
  C      -3.827199      6.632767      2.586449
  C      -5.209569      6.407588      2.815158
  C      -1.384070     -0.731579      4.171913
  C      -2.755976     -1.333052      3.840263
  O      -3.393305     -0.708155      2.705099
  C      -4.070159      0.442632      2.949407
  O      -4.175118      0.854539      4.172504
  C      -4.678184      1.124759      1.849942
  N      -5.485285      2.159555      2.227706
  C      -6.082231      2.859809      1.263950
  N      -5.974131      2.718426     -0.058262
  C      -5.165489      1.690266     -0.478038
  C      -5.021436      1.488610     -1.872395
  C      -4.229232      0.468403     -2.365759
  C      -3.554164     -0.383408     -1.474403
  C      -3.676134     -0.211290     -0.100472
  C      -4.478081      0.820999      0.439771
  C      -3.804741     -0.287260      6.931775
  C      -4.681940     -0.071479      8.166366
  O      -5.602190      1.033673      7.974292
  C      -6.681557      0.782881      7.204790
  O      -6.967668     -0.307290      6.740787
  C      -7.512366      2.029390      7.002999
  N      -7.564756      2.877380      8.021788
  C      -8.395988      3.944081      7.892698
  N      -9.181289      4.224133      6.874118
  C      -9.102467      3.382901      5.795399
  C      -9.891019      3.657264      4.647921
  C      -9.782700      2.857826      3.528139
  C      -8.884680      1.763080      3.506482
  C      -8.124743      1.448004      4.613210
  C      -8.231422      2.239646      5.790890
  H      -3.327068      3.605017      8.317741
  H      -4.546049      2.851634      7.276242
  H      -4.019796      5.868223      7.568163
  H      -5.389753      4.908029      8.232344
  H      -8.947664      5.934217      3.250061
  H      -6.307924      6.553150     -0.442044
  H      -3.861226      6.914023     -0.818442
  H      -2.301716      6.992509      1.126356
  H      -3.143901      6.677135      3.435473
  H      -1.101476     -1.145986      5.167170
  H      -0.639554     -1.128978      3.453330
  H      -3.438522     -1.268451      4.691778
  H      -2.635346     -2.387405      3.557212
  H      -6.748502      3.656685      1.603955
  H      -5.563642      2.167629     -2.532343
  H      -4.129853      0.325389     -3.439116
  H      -2.928544     -1.189315     -1.859505
  H      -3.148239     -0.882558      0.571174
  H      -4.480408     -0.409392      6.075210
  H      -3.281290     -1.255453      7.085358
  H      -5.256362     -0.985677      8.378374
  H      -4.101982      0.213891      9.054794
  H      -8.405468      4.639772      8.724850
  H     -10.559917      4.520398      4.687738
  H     -10.383082      3.077950      2.648407
  H      -8.791223      1.164784      2.604983
  H      -7.439755      0.602098      4.590753
  N      -2.498540      3.085646      3.552210
  N      -2.379621      3.632440      2.374171
  H      -2.423467      2.992827      1.571432
  H      -2.892285      4.511231      2.223101
99
Coordinates from ORCA-job orca E -6707.143169973797
  N      -2.948677      3.645322      6.207880
  Mo     -2.668574      2.021756      5.007429
  N      -2.855507      0.768956      6.642002
  C      -1.671484      0.699574      7.489635
  C      -0.871311      1.994021      7.425217
  N      -0.685337      2.426916      6.011841
  C      -0.517357      3.896875      5.896366
  C      -1.842498      4.593920      6.268420
  C       0.422052      1.682583      5.347434
  C      -0.052359      1.297382      3.944476
  N      -1.361691      0.703775      4.075423
  H      -1.999774      5.449160      5.587913
  H      -1.770811      5.024930      7.284974
  H      -0.247689      4.095950      4.851222
  H       0.316273      4.238486      6.536365
  H       0.672211      0.610739      3.470273
  H      -0.114269      2.204532      3.318005
  H       0.605980      0.768178      5.928337
  H       1.343584      2.287546      5.355090
  H      -1.930526      0.516615      8.550029
  H      -1.032048     -0.159984      7.184996
  H      -1.420093      2.786351      7.945214
  H       0.111900      1.880723      7.911653
  C      -3.850739      3.690296      7.332534
  C      -4.671009      4.983215      7.408382
  O      -5.446167      5.163902      6.198159
  C      -4.993870      6.087808      5.333614
  O      -4.056220      6.846715      5.528416
  C      -5.822849      6.130907      4.073850
  N      -7.126245      5.954332      4.215960
  C      -7.884631      6.060267      3.095261
  N      -7.466896      6.261275      1.860899
  C      -6.121416      6.415949      1.693724
  C      -5.613447      6.596979      0.382098
  C      -4.263666      6.784568      0.186247
  C      -3.374439      6.805887      1.288441
  C      -3.836271      6.614041      2.576547
  C      -5.220180      6.400947      2.807634
  C      -1.381122     -0.734309      4.173031
  C      -2.753834     -1.334174      3.837716
  O      -3.388730     -0.703920      2.704122
  C      -4.070100      0.443607      2.951281
  O      -4.172395      0.855177      4.176826
  C      -4.680800      1.125148      1.852426
  N      -5.484037      2.163627      2.232360
  C      -6.080095      2.869436      1.272720
  N      -5.974565      2.729124     -0.049595
  C      -5.171672      1.696150     -0.472661
  C      -5.030267      1.496457     -1.866261
  C      -4.243353      0.473042     -2.362752
  C      -3.571136     -0.383505     -1.474066
  C      -3.689414     -0.211120     -0.098840
  C      -4.486324      0.822929      0.442651
  C      -3.801423     -0.286704      6.933419
  C      -4.681436     -0.072623      8.166353
  O      -5.604961      1.029051      7.975463
  C      -6.684436      0.778258      7.206189
  O      -6.970418     -0.310794      6.740858
  C      -7.511105      2.024820      7.003957
  N      -7.572549      2.865748      8.029609
  C      -8.398809      3.935586      7.893674
  N      -9.171594      4.223143      6.865614
  C      -9.088777      3.386436      5.789118
  C      -9.870961      3.665494      4.644324
  C      -9.754755      2.871529      3.522296
  C      -8.857983      1.775554      3.501356
  C      -8.111720      1.453197      4.616505
  C      -8.222573      2.240909      5.790369
  H      -3.330852      3.610499      8.314963
  H      -4.542955      2.845166      7.272162
  H      -4.038352      5.866167      7.563818
  H      -5.405318      4.897635      8.220953
  H      -8.960975      5.949970      3.244185
  H      -6.322305      6.572260     -0.446195
  H      -3.873293      6.922267     -0.824511
  H      -2.309540      6.970982      1.115989
  H      -3.150474      6.641274      3.422545
  H      -1.098343     -1.153440      5.166537
  H      -0.638346     -1.129635      3.451674
  H      -3.435925     -1.274316      4.689019
  H      -2.634112     -2.386689      3.550315
  H      -6.742741      3.669051      1.616224
  H      -5.572023      2.176672     -2.525434
  H      -4.149346      0.326045     -3.440707
  H      -2.949963     -1.192365     -1.861247
  H      -3.162924     -0.885024      0.571810
  H      -4.473842     -0.408366      6.074936
  H      -3.280920     -1.256452      7.085994
  H      -5.251555     -0.988510      8.377389
  H      -4.103180      0.215051      9.053208
  H      -8.429967      4.622055      8.749014
  H     -10.535530      4.530871      4.680125
  H     -10.343417      3.098542      2.634301
  H      -8.750833      1.183388      2.589446
  H      -7.427985      0.606825      4.595574
  N      -2.491080      3.081070      3.556889
  N      -2.361325      3.618669      2.376897
  H      -2.404523      2.971405      1.579569
  H      -2.865383      4.501566      2.217910
99
Coordinates from ORCA-job orca E -6707.143374654544
  N      -2.937615      3.648402      6.203512
  Mo     -2.659921      2.020462      5.005629
  N      -2.852525      0.770838      6.638699
  C      -1.665370      0.694035      7.481638
  C      -0.865646      1.989246      7.423911
  N      -0.675052      2.425067      6.012420
  C      -0.506085      3.894763      5.895099
  C      -1.829010      4.594157      6.267950
  C       0.432076      1.680316      5.349227
  C      -0.045732      1.285924      3.949851
  N      -1.357411      0.699819      4.088074
  H      -1.981797      5.452347      5.589737
  H      -1.757335      5.022369      7.284885
  H      -0.240289      4.091713      4.849130
  H       0.328899      4.237579      6.531020
  H       0.674147      0.591056      3.481385
  H      -0.102795      2.188484      3.315867
  H       0.622536      0.769851      5.934129
  H       1.351340      2.288736      5.348879
  H      -1.921100      0.502639      8.541173
  H      -1.027617     -0.163056      7.167311
  H      -1.419191      2.778534      7.943475
  H       0.115446      1.876773      7.915042
  C      -3.840414      3.693067      7.331049
  C      -4.667815      4.984118      7.400059
  O      -5.441108      5.158101      6.188704
  C      -4.989728      6.077899      5.320497
  O      -4.052804      6.835129      5.514353
  C      -5.819247      6.119486      4.060876
  N      -7.121916      5.933493      4.203367
  C      -7.882162      6.046778      3.084393
  N      -7.469110      6.280832      1.854144
  C      -6.124101      6.442247      1.685786
  C      -5.621616      6.653850      0.377287
  C      -4.270819      6.835473      0.178955
  C      -3.375003      6.816151      1.274706
  C      -3.832055      6.597967      2.559788
  C      -5.218206      6.398999      2.794931
  C      -1.386154     -0.739317      4.174808
  C      -2.762963     -1.329553      3.839052
  O      -3.390375     -0.693824      2.702805
  C      -4.070699      0.456760      2.947182
  O      -4.173744      0.868002      4.172335
  C      -4.674186      1.139111      1.844872
  N      -5.470677      2.187726      2.218229
  C      -6.062166      2.888998      1.251319
  N      -5.953933      2.741585     -0.070813
  C      -5.153413      1.705689     -0.483153
  C      -5.004121      1.502307     -1.875152
  C      -4.217993      0.472622     -2.365806
  C      -3.557473     -0.386934     -1.471014
  C      -3.686902     -0.214277     -0.098682
  C      -4.479848      0.828286      0.436950
  C      -3.805833     -0.277024      6.934200
  C      -4.681218     -0.056471      8.171255
  O      -5.610199      1.041818      7.981347
  C      -6.699499      0.783159      7.225230
  O      -6.986298     -0.310081      6.770990
  C      -7.537286      2.022084      7.027318
  N      -7.597737      2.866770      8.048045
  C      -8.427696      3.933106      7.907982
  N      -9.203096      4.214663      6.880057
  C      -9.125898      3.371778      5.812437
  C      -9.910382      3.644832      4.665651
  C      -9.799982      2.844150      3.551230
  C      -8.907080      1.746998      3.538407
  C      -8.153373      1.433147      4.647261
  C      -8.257312      2.228544      5.816033
  H      -3.319282      3.621065      8.314277
  H      -4.528374      2.842735      7.274968
  H      -4.039430      5.869521      7.550092
  H      -5.400014      4.900401      8.212874
  H      -8.957395      5.921385      3.232851
  H      -6.334586      6.655444     -0.446958
  H      -3.885734      6.998460     -0.828609
  H      -2.308819      6.972805      1.099359
  H      -3.141724      6.595167      3.400772
  H      -1.095883     -1.170616      5.162708
  H      -0.652641     -1.130720      3.443708
  H      -3.445961     -1.272117      4.689411
  H      -2.648716     -2.381795      3.549630
  H      -6.720334      3.696696      1.590533
  H      -5.537890      2.184591     -2.539362
  H      -4.114921      0.324914     -3.442678
  H      -2.937393     -1.200807     -1.853214
  H      -3.169143     -0.892059      0.574606
  H      -4.482301     -0.394077      6.078241
  H      -3.292341     -1.251135      7.083990
  H      -5.248060     -0.971736      8.390290
  H      -4.098704      0.236251      9.053012
  H      -8.460425      4.622245      8.760458
  H     -10.570077      4.511694      4.692995
  H     -10.387194      3.068299      2.655947
  H      -8.805683      1.148917      2.633384
  H      -7.471102      0.586324      4.628895
  N      -2.465858      3.074980      3.550287
  N      -2.317176      3.595887      2.366114
  H      -2.355204      2.942990      1.575475
  H      -2.798659      4.487295      2.192001
99
Coordinates from ORCA-job orca E -6707.143603485335
  N      -2.953650      3.651721      6.207325
  Mo     -2.665503      2.022799      5.014623
  N      -2.844593      0.772519      6.648702
  C      -1.653536      0.703147      7.486739
  C      -0.868436      2.007360      7.430992
  N      -0.681124      2.444637      6.018735
  C      -0.524619      3.915597      5.900004
  C      -1.851765      4.604266      6.279617
  C       0.431579      1.708194      5.355678
  C      -0.046497      1.304030      3.958129
  N      -1.355229      0.711927      4.100058
  H      -2.008291      5.467364      5.606993
  H      -1.782727      5.025032      7.300504
  H      -0.268422      4.114211      4.852156
  H       0.310786      4.266450      6.530210
  H       0.676047      0.610086      3.492176
  H      -0.107584      2.203897      3.319850
  H       0.633905      0.801497      5.943124
  H       1.344620      2.326216      5.350040
  H      -1.903278      0.504603      8.546688
  H      -1.008225     -0.146098      7.166515
  H      -1.434612      2.789125      7.948738
  H       0.113274      1.908402      7.925047
  C      -3.865712      3.690175      7.327624
  C      -4.706088      4.972837      7.387081
  O      -5.462479      5.141201      6.163530
  C      -5.014051      6.074888      5.309935
  O      -4.090145      6.843677      5.520317
  C      -5.827697      6.117705      4.041219
  N      -7.134976      5.952469      4.168720
  C      -7.878348      6.075971      3.038388
  N      -7.445468      6.299962      1.813188
  C      -6.095486      6.438589      1.661825
  C      -5.571442      6.639775      0.361087
  C      -4.215617      6.804610      0.182938
  C      -3.336258      6.776675      1.292121
  C      -3.814806      6.565524      2.569925
  C      -5.206360      6.385033      2.783600
  C      -1.380277     -0.727780      4.178867
  C      -2.754935     -1.320162      3.836012
  O      -3.383186     -0.677832      2.703716
  C      -4.082129      0.460120      2.959742
  O      -4.177472      0.865237      4.187577
  C      -4.706400      1.140179      1.868658
  N      -5.498641      2.185597      2.258347
  C      -6.103248      2.891874      1.303733
  N      -6.008216      2.756642     -0.020425
  C      -5.218113      1.719425     -0.449536
  C      -5.086503      1.524682     -1.844164
  C      -4.314484      0.492478     -2.350734
  C      -3.653125     -0.380462     -1.470049
  C      -3.765705     -0.217930     -0.096970
  C      -4.539290      0.831260      0.455969
  C      -3.788342     -0.283790      6.943712
  C      -4.663603     -0.073598      8.182709
  O      -5.600864      1.018365      7.994909
  C      -6.682853      0.756635      7.229959
  O      -6.958443     -0.335997      6.766171
  C      -7.525119      1.993021      7.029940
  N      -7.617511      2.820839      8.061704
  C      -8.449313      3.885313      7.915156
  N      -9.194287      4.182436      6.868862
  C      -9.082412      3.357956      5.788457
  C      -9.832786      3.647591      4.623529
  C      -9.686001      2.865314      3.498862
  C      -8.793836      1.767627      3.497120
  C      -8.075983      1.436285      4.625900
  C      -8.212881      2.215492      5.800856
  H      -3.350823      3.626348      8.314801
  H      -4.543827      2.832505      7.268863
  H      -4.087433      5.864033      7.547502
  H      -5.448617      4.881954      8.190542
  H      -8.958050      5.970455      3.172875
  H      -6.271821      6.649521     -0.474036
  H      -3.814124      6.962416     -0.818171
  H      -2.266264      6.921528      1.132861
  H      -3.136950      6.555258      3.421876
  H      -1.089230     -1.165456      5.163248
  H      -0.645279     -1.111774      3.446314
  H      -3.440378     -1.274862      4.685571
  H      -2.637241     -2.369726      3.538520
  H      -6.758737      3.695714      1.657410
  H      -5.622461      2.215707     -2.497148
  H      -4.224379      0.352375     -3.429625
  H      -3.046438     -1.198591     -1.865452
  H      -3.246728     -0.905841      0.564167
  H      -4.466226     -0.404727      6.088999
  H      -3.267351     -1.254561      7.090177
  H      -5.223036     -0.995167      8.399069
  H      -4.081398      0.221164      9.065433
  H      -8.510547      4.559065      8.777979
  H     -10.494619      4.513345      4.645292
  H     -10.244852      3.103447      2.589660
  H      -8.662236      1.184589      2.584715
  H      -7.393261      0.589733      4.616444
  N      -2.472886      3.073150      3.553690
  N      -2.309842      3.570985      2.361260
  H      -2.338818      2.904442      1.580927
  H      -2.782090      4.461382      2.166881
99
Coordinates from ORCA-job orca E -6707.143791179426
  N      -2.954387      3.658108      6.209326
  Mo     -2.662123      2.031007      5.015588
  N      -2.837332      0.776144      6.645518
  C      -1.645931      0.703714      7.480164
  C      -0.867281      2.010471      7.432279
  N      -0.678355      2.454010      6.021890
  C      -0.525242      3.925931      5.911173
  C      -1.854347      4.611230      6.295856
  C       0.437053      1.722207      5.358566
  C      -0.041117      1.312346      3.962249
  N      -1.351216      0.723979      4.104562
  H      -2.007500      5.478759      5.627809
  H      -1.788262      5.021247      7.321338
  H      -0.277509      4.130727      4.862606
  H       0.312142      4.275495      6.540171
  H       0.679113      0.613926      3.500964
  H      -0.095854      2.210318      3.321543
  H       0.647718      0.818721      5.946858
  H       1.345273      2.345968      5.347543
  H      -1.892808      0.498316      8.539367
  H      -0.997852     -0.141702      7.155952
  H      -1.440762      2.786479      7.951085
  H       0.113172      1.915709      7.929850
  C      -3.875206      3.691722      7.321235
  C      -4.729948      4.962167      7.364194
  O      -5.473449      5.112832      6.129401
  C      -5.024853      6.052224      5.282502
  O      -4.107628      6.828711      5.502378
  C      -5.824829      6.094382      4.005483
  N      -7.133143      5.930213      4.119024
  C      -7.861940      6.064009      2.979909
  N      -7.415443      6.297845      1.761511
  C      -6.063348      6.431070      1.624901
  C      -5.521347      6.634298      0.331519
  C      -4.162221      6.790076      0.170062
  C      -3.298182      6.750271      1.291842
  C      -3.795441      6.537293      2.563258
  C      -5.189276      6.364286      2.757339
  C      -1.382646     -0.715688      4.168244
  C      -2.758776     -1.297392      3.825838
  O      -3.384925     -0.645547      2.700704
  C      -4.092621      0.484538      2.962983
  O      -4.183914      0.885558      4.193392
  C      -4.718896      1.163350      1.875156
  N      -5.506015      2.210865      2.264456
  C      -6.112419      2.916154      1.310782
  N      -6.020836      2.780935     -0.013836
  C      -5.236852      1.739044     -0.444409
  C      -5.105192      1.544359     -1.839414
  C      -4.338652      0.509355     -2.345987
  C      -3.685049     -0.368501     -1.463922
  C      -3.797788     -0.204937     -0.088837
  C      -4.563714      0.848470      0.463131
  C      -3.781826     -0.278525      6.939596
  C      -4.652079     -0.066956      8.181732
  O      -5.594520      1.018316      7.990423
  C      -6.682998      0.745123      7.241008
  O      -6.955633     -0.351225      6.784518
  C      -7.535225      1.974297      7.051295
  N      -7.638234      2.788825      8.093104
  C      -8.482681      3.845091      7.960797
  N      -9.225967      4.149747      6.916737
  C      -9.100790      3.340467      5.822388
  C      -9.849961      3.635826      4.660163
  C      -9.694445      2.864735      3.527509
  C      -8.798557      1.768416      3.515999
  C      -8.085908      1.430270      4.646710
  C      -8.226111      2.202022      5.826390
  H      -3.366381      3.643278      8.311827
  H      -4.540774      2.826656      7.261909
  H      -4.121431      5.861378      7.524876
  H      -5.481203      4.869378      8.161948
  H      -8.941451      5.952529      3.099526
  H      -6.208807      6.652033     -0.514792
  H      -3.744940      6.948500     -0.826637
  H      -2.225999      6.889303      1.147006
  H      -3.129917      6.516819      3.426763
  H      -1.087819     -1.162882      5.144745
  H      -0.653356     -1.098318      3.428212
  H      -3.444166     -1.257197      4.677239
  H      -2.647658     -2.346557      3.522396
  H      -6.769033      3.716809      1.665143
  H      -5.635179      2.239280     -2.492818
  H      -4.246243      0.371429     -3.425386
  H      -3.082612     -1.188826     -1.858132
  H      -3.282146     -0.895267      0.573017
  H      -4.463169     -0.396672      6.086935
  H      -3.265472     -1.252418      7.083455
  H      -5.205800     -0.991421      8.405387
  H      -4.064304      0.235523      9.058962
  H      -8.552653      4.506062      8.831705
  H     -10.519551      4.497369      4.691699
  H     -10.253204      3.106841      2.624864
  H      -8.660129      1.193393      2.596779
  H      -7.399473      0.586052      4.632360
  N      -2.459099      3.081615      3.555466
  N      -2.274106      3.552883      2.356624
  H      -2.284873      2.871593      1.589078
  H      -2.720872      4.450633      2.139747
99
Coordinates from ORCA-job orca E -6707.143931055759
  N      -2.948828      3.658105      6.211403
  Mo     -2.658412      2.029964      5.021551
  N      -2.832642      0.773732      6.653709
  C      -1.642156      0.702530      7.488331
  C      -0.863804      2.009867      7.439944
  N      -0.675732      2.453304      6.028100
  C      -0.520708      3.925344      5.919739
  C      -1.848894      4.609805      6.307598
  C       0.440851      1.720964      5.365493
  C      -0.036622      1.307427      3.969331
  N      -1.347518      0.720243      4.110219
  H      -2.000622      5.480761      5.644172
  H      -1.784357      5.010571      7.337484
  H      -0.278501      4.131572      4.870871
  H       0.317929      4.274537      6.546887
  H       0.684995      0.607191      3.512315
  H      -0.088858      2.203486      3.326245
  H       0.653657      0.819013      5.955209
  H       1.347721      2.346380      5.352393
  H      -1.888452      0.498916      8.548317
  H      -0.992221     -0.143184      7.167506
  H      -1.435677      2.786916      7.959035
  H       0.117185      1.914174      7.936205
  C      -3.877959      3.691498      7.315388
  C      -4.739810      4.957658      7.355275
  O      -5.482676      5.107442      6.118741
  C      -5.043522      6.056062      5.276112
  O      -4.132885      6.839812      5.497787
  C      -5.846850      6.104397      4.001242
  N      -7.157841      5.956919      4.121172
  C      -7.890784      6.101227      2.985870
  N      -7.446298      6.326673      1.765295
  C      -6.092110      6.440881      1.621953
  C      -5.553405      6.634790      0.327158
  C      -4.193503      6.778464      0.159104
  C      -3.325745      6.735326      1.276958
  C      -3.819404      6.529612      2.550134
  C      -5.213734      6.367428      2.750498
  C      -1.380912     -0.720600      4.170513
  C      -2.758200     -1.299484      3.827854
  O      -3.382605     -0.640218      2.705363
  C      -4.094115      0.488286      2.972010
  O      -4.183780      0.887174      4.203365
  C      -4.722159      1.169424      1.886178
  N      -5.500682      2.222234      2.278936
  C      -6.106062      2.933156      1.329248
  N      -6.020373      2.797965      0.004309
  C      -5.246233      1.749487     -0.430672
  C      -5.120312      1.554086     -1.826873
  C      -4.365414      0.511388     -2.336789
  C      -3.717667     -0.374013     -1.457776
  C      -3.823034     -0.208035     -0.080340
  C      -4.577346      0.852838      0.474093
  C      -3.776715     -0.282888      6.942936
  C      -4.650941     -0.076741      8.183211
  O      -5.594035      1.007333      7.991562
  C      -6.681321      0.732782      7.243452
  O      -6.952639     -0.363785      6.784797
  C      -7.534276      1.962088      7.050996
  N      -7.655157      2.768228      8.098411
  C      -8.498603      3.825352      7.959335
  N      -9.220713      4.141193      6.902910
  C      -9.077416      3.340619      5.806619
  C      -9.798312      3.649589      4.628232
  C      -9.624220      2.885681      3.494381
  C      -8.734712      1.784071      3.493331
  C      -8.042914      1.436119      4.631695
  C      -8.205527      2.199658      5.817446
  H      -3.372829      3.647811      8.308121
  H      -4.537792      2.821754      7.253761
  H      -4.137378      5.860817      7.517200
  H      -5.492340      4.860847      8.150684
  H      -8.973311      6.011120      3.112416
  H      -6.243326      6.657417     -0.516193
  H      -3.777821      6.929574     -0.838823
  H      -2.253024      6.866795      1.127437
  H      -3.151491      6.506030      3.409907
  H      -1.087481     -1.170203      5.146898
  H      -0.649674     -1.100783      3.432081
  H      -3.439892     -1.263963      4.681163
  H      -2.650309     -2.346522      3.516789
  H      -6.758284      3.736044      1.687799
  H      -5.645010      2.254668     -2.478706
  H      -4.276731      0.374330     -3.416236
  H      -3.124394     -1.199784     -1.854758
  H      -3.311504     -0.902703      0.580388
  H      -4.455468     -0.400010      6.088061
  H      -3.260042     -1.257218      7.086978
  H      -5.202767     -1.001314      8.403772
  H      -4.065799      0.225334      9.061153
  H      -8.582179      4.478929      8.831299
  H     -10.462499      4.514763      4.649280
  H     -10.162105      3.137544      2.580055
  H      -8.584584      1.214339      2.577235
  H      -7.357480      0.590344      4.624339
  N      -2.450875      3.077310      3.557323
  N      -2.244547      3.529693      2.354026
  H      -2.250340      2.836249      1.597671
  H      -2.678851      4.429297      2.118774
99
Coordinates from ORCA-job orca E -6707.144078369966
  N      -2.956155      3.659645      6.208018
  Mo     -2.661395      2.034336      5.016525
  N      -2.831417      0.773486      6.646944
  C      -1.642830      0.705174      7.484496
  C      -0.866070      2.013965      7.436884
  N      -0.681876      2.460916      6.025985
  C      -0.528528      3.934402      5.920241
  C      -1.857958      4.613804      6.309733
  C       0.436777      1.732426      5.361327
  C      -0.038177      1.321924      3.963953
  N      -1.347010      0.728299      4.100379
  H      -2.011898      5.487868      5.651090
  H      -1.798155      5.007763      7.340911
  H      -0.287879      4.145291      4.871049
  H       0.310337      4.283023      6.547870
  H       0.688524      0.626780      3.506857
  H      -0.094746      2.219418      3.323179
  H       0.651623      0.829542      5.949448
  H       1.342245      2.360242      5.349415
  H      -1.891377      0.503049      8.544121
  H      -0.990795     -0.140338      7.167154
  H      -1.435551      2.790627      7.958387
  H       0.116048      1.916447      7.929642
  C      -3.889656      3.687092      7.310649
  C      -4.747393      4.955775      7.354349
  O      -5.487756      5.111410      6.115324
  C      -5.043484      6.059288      5.277236
  O      -4.131507      6.838787      5.504150
  C      -5.841006      6.110825      3.998201
  N      -7.153338      5.972230      4.111395
  C      -7.880751      6.115248      2.971827
  N      -7.428354      6.329923      1.752050
  C      -6.072930      6.437101      1.616482
  C      -5.526375      6.621390      0.323950
  C      -4.164684      6.758010      0.163682
  C      -3.302361      6.719133      1.286098
  C      -3.802704      6.522256      2.557024
  C      -5.199760      6.365806      2.749723
  C      -1.373314     -0.713669      4.161633
  C      -2.750775     -1.294750      3.825666
  O      -3.378777     -0.637368      2.701754
  C      -4.092391      0.489300      2.968105
  O      -4.182365      0.885078      4.200023
  C      -4.722654      1.167749      1.881057
  N      -5.499612      2.222552      2.274132
  C      -6.104425      2.933067      1.324406
  N      -6.019007      2.797161      0.000038
  C      -5.245979      1.748424     -0.434586
  C      -5.119448      1.555205     -1.829886
  C      -4.367452      0.512107     -2.339685
  C      -3.722184     -0.375579     -1.462052
  C      -3.827490     -0.212190     -0.086505
  C      -4.578738      0.849739      0.469001
  C      -3.773788     -0.284719      6.938119
  C      -4.646465     -0.076282      8.178950
  O      -5.589916      1.008725      7.990476
  C      -6.683334      0.729832      7.250901
  O      -6.953805     -0.367077      6.793944
  C      -7.544354      1.955454      7.065421
  N      -7.665490      2.757847      8.115608
  C      -8.512892      3.812444      7.980356
  N      -9.235174      4.131571      6.923694
  C      -9.090824      3.335421      5.825789
  C      -9.810037      3.649843      4.646962
  C      -9.638040      2.888731      3.512307
  C      -8.750976      1.785538      3.510032
  C      -8.057325      1.434475      4.646537
  C      -8.218108      2.195226      5.832970
  H      -3.387359      3.637548      8.305473
  H      -4.548848      2.816123      7.242525
  H      -4.144090      5.856999      7.517838
  H      -5.500506      4.859064      8.147565
  H      -8.963940      6.031844      3.093125
  H      -6.211708      6.643929     -0.523519
  H      -3.743549      6.900670     -0.831683
  H      -2.227810      6.847525      1.142292
  H      -3.140119      6.503515      3.420364
  H      -1.075190     -1.164005      5.138582
  H      -0.640139     -1.088769      3.422242
  H      -3.426307     -1.259385      4.683674
  H      -2.642859     -2.341502      3.512424
  H      -6.758241      3.735123      1.682196
  H      -5.641597      2.257533     -2.481480
  H      -4.279474      0.376044     -3.419006
  H      -3.132790     -1.203687     -1.861020
  H      -3.319117     -0.909351      0.572286
  H      -4.452606     -0.404573      6.083922
  H      -3.253494     -1.256413      7.085743
  H      -5.199252     -0.997811      8.403548
  H      -4.059232      0.226149      9.054844
  H      -8.599645      4.460238      8.856318
  H     -10.472162      4.515645      4.668056
  H     -10.174458      3.144802      2.595795
  H      -8.602674      1.217911      2.592468
  H      -7.371758      0.589507      4.637983
  N      -2.453641      3.080244      3.550112
  N      -2.244297      3.517707      2.342735
  H      -2.239540      2.817555      1.592366
  H      -2.674852      4.414903      2.094686
99
Coordinates from ORCA-job orca E -6707.144203741161
  N      -2.951361      3.665466      6.209475
  Mo     -2.659178      2.041008      5.018244
  N      -2.829414      0.775623      6.646517
  C      -1.641054      0.704199      7.484860
  C      -0.861746      2.012219      7.439866
  N      -0.679697      2.462411      6.030174
  C      -0.523173      3.935761      5.927336
  C      -1.851552      4.616438      6.316896
  C       0.437513      1.733462      5.362816
  C      -0.036303      1.324604      3.965240
  N      -1.346125      0.731873      4.098984
  H      -2.005212      5.494374      5.663122
  H      -1.795392      5.003673      7.350547
  H      -0.279757      4.148412      4.879596
  H       0.315280      4.280629      6.557083
  H       0.692230      0.629730      3.509639
  H      -0.092765      2.221762      3.323339
  H       0.651994      0.830969      5.952078
  H       1.343438      2.360687      5.349481
  H      -1.891726      0.500290      8.543589
  H      -0.990098     -0.140984      7.165885
  H      -1.426840      2.789746      7.964872
  H       0.121628      1.909372      7.928972
  C      -3.889344      3.692986      7.308471
  C      -4.744862      4.963210      7.350535
  O      -5.485999      5.121025      6.111717
  C      -5.042452      6.071348      5.273386
  O      -4.128555      6.847448      5.497735
  C      -5.843009      6.122367      3.996309
  N      -7.154740      5.993204      4.113118
  C      -7.885612      6.133388      2.976096
  N      -7.435281      6.340147      1.754166
  C      -6.080106      6.437836      1.614638
  C      -5.534682      6.609232      0.318194
  C      -4.171641      6.728366      0.153163
  C      -3.305358      6.687813      1.271996
  C      -3.803700      6.505430      2.546294
  C      -5.203098      6.365405      2.744385
  C      -1.376083     -0.710666      4.157498
  C      -2.753711     -1.288755      3.816105
  O      -3.380414     -0.624208      2.696619
  C      -4.091524      0.501597      2.968121
  O      -4.182952      0.892526      4.202330
  C      -4.719495      1.183147      1.881994
  N      -5.492023      2.242076      2.272774
  C      -6.093957      2.949954      1.318661
  N      -6.007778      2.810703     -0.005225
  C      -5.236150      1.761337     -0.435378
  C      -5.106338      1.566164     -1.831116
  C      -4.358824      0.517055     -2.338751
  C      -3.719842     -0.372435     -1.458065
  C      -3.828587     -0.208037     -0.083921
  C      -4.574740      0.860538      0.470329
  C      -3.770789     -0.285907      6.936444
  C      -4.645881     -0.077934      8.175585
  O      -5.593150      1.005731      7.985060
  C      -6.689279      0.720824      7.254415
  O      -6.964380     -0.379136      6.807081
  C      -7.554522      1.944458      7.071125
  N      -7.674202      2.743566      8.121548
  C      -8.525244      3.795413      7.991345
  N      -9.248345      4.117440      6.937326
  C      -9.100172      3.327040      5.834501
  C      -9.816115      3.648520      4.655491
  C      -9.644388      2.890492      3.518038
  C      -8.761547      1.784300      3.514396
  C      -8.069779      1.427976      4.652566
  C      -8.228665      2.186520      5.838840
  H      -3.390304      3.640912      8.305036
  H      -4.548806      2.823202      7.237857
  H      -4.141446      5.864783      7.512745
  H      -5.500228      4.867315      8.141785
  H      -8.969073      6.059169      3.102578
  H      -6.222100      6.634446     -0.527157
  H      -3.752074      6.857364     -0.845003
  H      -2.229103      6.803387      1.122932
  H      -3.139116      6.483959      3.407207
  H      -1.084165     -1.160256      5.135788
  H      -0.639686     -1.085558      3.421056
  H      -3.430072     -1.258244      4.674033
  H      -2.643969     -2.332367      3.491599
  H      -6.746671      3.755206      1.674011
  H      -5.622155      2.271271     -2.485240
  H      -4.267615      0.380204     -3.417557
  H      -3.133455     -1.203273     -1.854674
  H      -3.326374     -0.907899      0.576907
  H      -4.447644     -0.406461      6.081314
  H      -3.245954     -1.254908      7.086830
  H      -5.197740     -0.999886      8.404498
  H      -4.060129      0.228630      9.050941
  H      -8.618926      4.435384      8.874697
  H     -10.477606      4.515019      4.679543
  H     -10.180670      3.150333      2.603650
  H      -8.615417      1.218321      2.595162
  H      -7.385921      0.582490      4.643904
  N      -2.449212      3.084795      3.550378
  N      -2.230568      3.501761      2.337860
  H      -2.217719      2.793901      1.595057
  H      -2.654167      4.397073      2.071081
99
Coordinates from ORCA-job orca E -6707.144321296566
  N      -2.960134      3.670624      6.212411
  Mo     -2.665073      2.048924      5.019149
  N      -2.827992      0.775837      6.643995
  C      -1.638914      0.705012      7.481654
  C      -0.864641      2.016160      7.440523
  N      -0.686266      2.471428      6.032785
  C      -0.533272      3.945351      5.934502
  C      -1.861637      4.621446      6.329321
  C       0.432279      1.747251      5.362239
  C      -0.039311      1.341998      3.963966
  N      -1.347825      0.744915      4.093965
  H      -2.015934      5.505316      5.685364
  H      -1.807352      4.997617      7.366931
  H      -0.291350      4.162538      4.887143
  H       0.305877      4.289222      6.564141
  H       0.692068      0.650978      3.506890
  H      -0.097715      2.240342      3.324253
  H       0.649139      0.844417      5.949688
  H       1.336737      2.376794      5.350023
  H      -1.889849      0.496515      8.539238
  H      -0.984997     -0.136485      7.159403
  H      -1.431046      2.790279      7.969125
  H       0.120022      1.914243      7.927006
  C      -3.904551      3.694293      7.305748
  C      -4.759185      4.964255      7.346200
  O      -5.493921      5.124374      6.103252
  C      -5.047565      6.077610      5.270761
  O      -4.134370      6.854018      5.500082
  C      -5.842701      6.130255      3.990100
  N      -7.155878      6.017454      4.101667
  C      -7.880706      6.158697      2.960489
  N      -7.422502      6.350745      1.738940
  C      -6.066063      6.431697      1.605140
  C      -5.512458      6.584796      0.309134
  C      -4.148014      6.685763      0.150639
  C      -3.286880      6.647169      1.274430
  C      -3.793239      6.482755      2.548285
  C      -5.194702      6.358875      2.739501
  C      -1.372971     -0.698252      4.151875
  C      -2.748506     -1.280342      3.809662
  O      -3.379781     -0.612758      2.693177
  C      -4.093788      0.509760      2.968989
  O      -4.185398      0.896654      4.204706
  C      -4.725564      1.191712      1.885691
  N      -5.493311      2.251588      2.278608
  C      -6.096368      2.962007      1.327883
  N      -6.014901      2.822049      0.003532
  C      -5.248765      1.769823     -0.430090
  C      -5.123032      1.576955     -1.825771
  C      -4.384106      0.524194     -2.336014
  C      -3.749396     -0.370639     -1.457797
  C      -3.850733     -0.204516     -0.081667
  C      -4.587617      0.867529      0.474666
  C      -3.765142     -0.289842      6.933316
  C      -4.637225     -0.082189      8.173908
  O      -5.586379      1.000171      7.981857
  C      -6.684800      0.709425      7.258326
  O      -6.958855     -0.391357      6.814118
  C      -7.554790      1.930457      7.077911
  N      -7.686474      2.719260      8.136327
  C      -8.542519      3.767433      8.008688
  N      -9.255881      4.097265      6.949942
  C      -9.094919      3.317495      5.841815
  C      -9.799421      3.649062      4.659992
  C      -9.617075      2.898850      3.518245
  C      -8.734836      1.791697      3.513453
  C      -8.051210      1.427924      4.653116
  C      -8.221663      2.178347      5.844106
  H      -3.411233      3.638386      8.304965
  H      -4.563363      2.825478      7.229174
  H      -4.156141      5.865304      7.512704
  H      -5.520007      4.867235      8.132491
  H      -8.965638      6.100174      3.083184
  H      -6.195305      6.609069     -0.540174
  H      -3.722361      6.798612     -0.847340
  H      -2.209326      6.751012      1.129558
  H      -3.132906      6.460999      3.413652
  H      -1.080478     -1.147768      5.129868
  H      -0.635013     -1.069063      3.415510
  H      -3.422772     -1.254573      4.668688
  H      -2.634756     -2.321440      3.479679
  H      -6.747864      3.766617      1.685126
  H      -5.635857      2.285820     -2.478149
  H      -4.297201      0.387021     -3.416290
  H      -3.171300     -1.206251     -1.857230
  H      -3.351359     -0.908234      0.577618
  H      -4.443554     -0.410255      6.079276
  H      -3.236232     -1.256272      7.082784
  H      -5.188382     -1.004386      8.406294
  H      -4.050866      0.227373      9.048752
  H      -8.650041      4.396388      8.899249
  H     -10.460709      4.515795      4.683833
  H     -10.143449      3.166791      2.598755
  H      -8.580933      1.232038      2.590337
  H      -7.364446      0.583741      4.642605
  N      -2.455630      3.091409      3.548594
  N      -2.223933      3.482428      2.330001
  H      -2.199541      2.760214      1.600410
  H      -2.638772      4.374399      2.038787
99
Coordinates from ORCA-job orca E -6707.144467737433
  N      -2.964284      3.675369      6.215660
  Mo     -2.669710      2.056463      5.022498
  N      -2.826744      0.776095      6.643768
  C      -1.637056      0.705533      7.480931
  C      -0.867347      2.019451      7.442759
  N      -0.690599      2.477511      6.036185
  C      -0.539149      3.951851      5.942234
  C      -1.865718      4.624286      6.345665
  C       0.428846      1.755648      5.365115
  C      -0.039608      1.356461      3.964950
  N      -1.347928      0.757256      4.088598
  H      -2.018865      5.518521      5.716048
  H      -1.810722      4.984049      7.389842
  H      -0.298862      4.174282      4.895241
  H       0.301717      4.293479      6.571387
  H       0.692617      0.668310      3.504854
  H      -0.096103      2.257511      3.329394
  H       0.644238      0.851160      5.950250
  H       1.333533      2.385218      5.357614
  H      -1.888623      0.493095      8.537581
  H      -0.980297     -0.133042      7.156130
  H      -1.435187      2.790757      7.973935
  H       0.117936      1.919247      7.928065
  C      -3.918253      3.696943      7.300249
  C      -4.770888      4.968073      7.339441
  O      -5.499688      5.131106      6.093474
  C      -5.049937      6.083915      5.264656
  O      -4.134322      6.858359      5.494905
  C      -5.844665      6.140129      3.983425
  N      -7.159630      6.046427      4.096140
  C      -7.883666      6.195000      2.954880
  N      -7.423481      6.374496      1.732222
  C      -6.065811      6.435444      1.597109
  C      -5.511547      6.575038      0.300127
  C      -4.146635      6.656717      0.141140
  C      -3.284303      6.612501      1.264863
  C      -3.792269      6.461013      2.539621
  C      -5.194364      6.356066      2.731443
  C      -1.368229     -0.685896      4.146595
  C      -2.743341     -1.272597      3.806672
  O      -3.380648     -0.603575      2.693518
  C      -4.094962      0.516914      2.972093
  O      -4.186441      0.900729      4.209139
  C      -4.727662      1.200366      1.890784
  N      -5.486773      2.264715      2.285529
  C      -6.089765      2.978196      1.337226
  N      -6.013304      2.837122      0.013606
  C      -5.254756      1.780114     -0.423181
  C      -5.133385      1.588420     -1.819638
  C      -4.405322      0.530279     -2.331996
  C      -3.778409     -0.371852     -1.456229
  C      -3.872966     -0.204461     -0.079318
  C      -4.596845      0.873992      0.479756
  C      -3.760459     -0.293361      6.929924
  C      -4.630121     -0.087319      8.171790
  O      -5.582005      0.993074      7.978165
  C      -6.685647      0.695156      7.265477
  O      -6.959743     -0.407385      6.826556
  C      -7.559150      1.913830      7.086207
  N      -7.704918      2.692171      8.151401
  C      -8.565970      3.736465      8.024254
  N      -9.264788      4.075711      6.958423
  C      -9.086449      3.308329      5.843906
  C      -9.773732      3.651733      4.656224
  C      -9.579262      2.908509      3.511608
  C      -8.700447      1.798733      3.508874
  C      -8.031737      1.425894      4.656008
  C      -8.214918      2.168515      5.849142
  H      -3.433219      3.634481      8.302877
  H      -4.579026      2.829854      7.214507
  H      -4.165946      5.867207      7.510697
  H      -5.536366      4.871022      8.121479
  H      -8.969570      6.154243      3.078498
  H      -6.194969      6.601557     -0.548607
  H      -3.720187      6.758378     -0.857845
  H      -2.206310      6.703775      1.118770
  H      -3.130798      6.430584      3.404857
  H      -1.073349     -1.134585      5.123996
  H      -0.631361     -1.054424      3.407651
  H      -3.413892     -1.245069      4.668441
  H      -2.628892     -2.313014      3.475818
  H      -6.736731      3.784550      1.696912
  H      -5.640684      2.302499     -2.470080
  H      -4.321256      0.393723     -3.412528
  H      -3.210570     -1.213699     -1.857505
  H      -3.379448     -0.914304      0.577514
  H      -4.440358     -0.410987      6.076652
  H      -3.229993     -1.258879      7.075064
  H      -5.179682     -1.010466      8.404606
  H      -4.045167      0.224604      9.046742
  H      -8.689511      4.354574      8.919516
  H     -10.434217      4.519458      4.678981
  H     -10.095713      3.183184      2.591489
  H      -8.538219      1.244123      2.583364
  H      -7.345337      0.581428      4.647876
  N      -2.457547      3.094631      3.547889
  N      -2.207839      3.446463      2.321438
  H      -2.167564      2.702973      1.612778
  H      -2.611463      4.331164      1.996608
99
Coordinates from ORCA-job orca E -6707.144641178389
  N      -2.977390      3.683456      6.219258
  Mo     -2.682922      2.068194      5.028004
  N      -2.829406      0.777836      6.642848
  C      -1.637886      0.708241      7.477561
  C      -0.876832      2.026178      7.444557
  N      -0.701637      2.487946      6.039500
  C      -0.554223      3.962779      5.951388
  C      -1.878671      4.629579      6.365650
  C       0.419506      1.770310      5.368222
  C      -0.045343      1.381705      3.964831
  N      -1.353115      0.778641      4.079048
  H      -2.030986      5.537603      5.755913
  H      -1.820605      4.968678      7.417057
  H      -0.313165      4.191921      4.905754
  H       0.287275      4.302084      6.581446
  H       0.686958      0.698770      3.497935
  H      -0.099168      2.288155      3.337451
  H       0.631534      0.861766      5.947980
  H       1.324985      2.399152      5.370190
  H      -1.888590      0.488095      8.532716
  H      -0.977020     -0.124622      7.146659
  H      -1.449839      2.791493      7.978947
  H       0.108929      1.931125      7.930202
  C      -3.943879      3.703055      7.291843
  C      -4.790734      4.977822      7.329781
  O      -5.509350      5.145975      6.080006
  C      -5.050266      6.096753      5.254966
  O      -4.127970      6.863595      5.486390
  C      -5.842807      6.157849      3.973019
  N      -7.158919      6.088653      4.086233
  C      -7.879351      6.245050      2.943572
  N      -7.416172      6.409522      1.720774
  C      -6.057786      6.445167      1.585462
  C      -5.501178      6.566578      0.287973
  C      -4.134811      6.617307      0.129539
  C      -3.272695      6.558372      1.253613
  C      -3.785200      6.424601      2.528731
  C      -5.188400      6.353465      2.720356
  C      -1.364940     -0.663809      4.138746
  C      -2.737937     -1.261221      3.801376
  O      -3.385144     -0.594627      2.691849
  C      -4.100070      0.523824      2.973518
  O      -4.191885      0.904541      4.212573
  C      -4.735064      1.210552      1.895439
  N      -5.485788      2.279955      2.292277
  C      -6.089032      2.997450      1.345948
  N      -6.016892      2.856150      0.022743
  C      -5.264675      1.795073     -0.416810
  C      -5.147045      1.605215     -1.814307
  C      -4.432245      0.538713     -2.329880
  C      -3.814634     -0.371578     -1.455005
  C      -3.901924     -0.202944     -0.077463
  C      -4.610696      0.883529      0.483781
  C      -3.754963     -0.299633      6.924714
  C      -4.618917     -0.102190      8.172100
  O      -5.573569      0.976690      7.983881
  C      -6.680674      0.674411      7.280646
  O      -6.955280     -0.430389      6.847966
  C      -7.557984      1.889443      7.104655
  N      -7.721769      2.654814      8.176864
  C      -8.587908      3.694994      8.048025
  N      -9.268350      4.045654      6.974616
  C      -9.068282      3.293737      5.852915
  C      -9.732902      3.651547      4.657017
  C      -9.523699      2.915806      3.509704
  C      -8.648506      1.803231      3.510691
  C      -7.994782      1.422002      4.661577
  C      -8.196173      2.154103      5.859227
  H      -3.471047      3.628074      8.298626
  H      -4.610870      2.841053      7.192212
  H      -4.180289      5.871992      7.509519
  H      -5.563219      4.882232      8.105689
  H      -8.964861      6.222400      3.065397
  H      -6.185098      6.598995     -0.560287
  H      -3.705824      6.704787     -0.870223
  H      -2.192897      6.625443      1.106558
  H      -3.123218      6.375485      3.393366
  H      -1.067043     -1.109769      5.115844
  H      -0.629986     -1.030389      3.396772
  H      -3.404608     -1.230492      4.665578
  H      -2.619660     -2.301740      3.473062
  H      -6.730921      3.805968      1.708255
  H      -5.648416      2.325414     -2.462840
  H      -4.350676      0.402602     -3.410733
  H      -3.257727     -1.219336     -1.855881
  H      -3.415058     -0.919715      0.578260
  H      -4.439148     -0.412979      6.074122
  H      -3.220150     -1.264289      7.057993
  H      -5.166187     -1.027322      8.400800
  H      -4.034425      0.207100      9.047463
  H      -8.733058      4.299539      8.948923
  H     -10.390308      4.521640      4.676042
  H     -10.022869      3.200758      2.581025
  H      -8.476169      1.253986      2.583446
  H      -7.308813      0.577033      4.655254
  N      -2.469262      3.100463      3.547197
  N      -2.200289      3.395819      2.311123
  H      -2.131849      2.622136      1.637255
  H      -2.591912      4.266522      1.938790
99
Coordinates from ORCA-job orca E -6707.144793070558
  N      -2.981379      3.690462      6.221313
  Mo     -2.689538      2.076338      5.031967
  N      -2.831502      0.779612      6.640628
  C      -1.637672      0.707415      7.472209
  C      -0.881065      2.027350      7.444938
  N      -0.705610      2.492977      6.040765
  C      -0.559548      3.968115      5.956625
  C      -1.880133      4.631542      6.381857
  C       0.416791      1.778144      5.369201
  C      -0.047193      1.399809      3.963183
  N      -1.355548      0.795459      4.070838
  H      -2.030791      5.552679      5.791562
  H      -1.817154      4.951940      7.439378
  H      -0.319252      4.201372      4.911592
  H       0.283283      4.305368      6.585492
  H       0.683801      0.720145      3.489962
  H      -0.098781      2.311096      3.343503
  H       0.626354      0.865138      5.942824
  H       1.323404      2.405682      5.379436
  H      -1.886569      0.479973      8.526178
  H      -0.976053     -0.122086      7.134469
  H      -1.459001      2.787497      7.981508
  H       0.104220      1.936110      7.932850
  C      -3.955432      3.708244      7.287831
  C      -4.794927      4.989070      7.329034
  O      -5.511057      5.164041      6.081505
  C      -5.043489      6.106672      5.252254
  O      -4.111467      6.863159      5.478158
  C      -5.840107      6.170418      3.973308
  N      -7.157164      6.118757      4.093236
  C      -7.880120      6.280104      2.952269
  N      -7.420042      6.444369      1.728105
  C      -6.061555      6.461058      1.586156
  C      -5.510381      6.579596      0.286413
  C      -4.144096      6.602805      0.120850
  C      -3.277082      6.515344      1.239596
  C      -3.785551      6.386135      2.516723
  C      -5.188437      6.349443      2.716643
  C      -1.360239     -0.646546      4.131848
  C      -2.731899     -1.253492      3.800935
  O      -3.387903     -0.594002      2.691882
  C      -4.097826      0.528526      2.971471
  O      -4.191715      0.907891      4.209708
  C      -4.728667      1.219504      1.893547
  N      -5.469377      2.294914      2.288596
  C      -6.070292      3.015628      1.343176
  N      -6.003814      2.870037      0.020304
  C      -5.257889      1.804357     -0.418715
  C      -5.143360      1.611898     -1.816598
  C      -4.437241      0.539950     -2.330777
  C      -3.829039     -0.376340     -1.455688
  C      -3.911695     -0.204315     -0.078461
  C      -4.608280      0.890348      0.482145
  C      -3.755894     -0.298666      6.921150
  C      -4.614816     -0.103895      8.172140
  O      -5.573923      0.971985      7.984898
  C      -6.688031      0.664581      7.293598
  O      -6.964590     -0.442677      6.870655
  C      -7.568304      1.876558      7.117894
  N      -7.743983      2.636487      8.191660
  C      -8.613205      3.673770      8.059221
  N      -9.279632      4.030160      6.978897
  C      -9.066673      3.284620      5.855910
  C      -9.716031      3.648519      4.653101
  C      -9.498844      2.913815      3.506630
  C      -8.628209      1.798540      3.514831
  C      -7.986452      1.414269      4.672675
  C      -8.196962      2.143747      5.869067
  H      -3.488924      3.619992      8.295835
  H      -4.630509      2.852850      7.177932
  H      -4.177544      5.877312      7.512239
  H      -5.567306      4.896717      8.104369
  H      -8.966376      6.268558      3.077625
  H      -6.199859      6.629444     -0.556802
  H      -3.719413      6.689651     -0.880595
  H      -2.197044      6.558176      1.085876
  H      -3.118918      6.314218      3.376110
  H      -1.054364     -1.092675      5.107298
  H      -0.629818     -1.009935      3.384580
  H      -3.394494     -1.220667      4.666943
  H      -2.609873     -2.294370      3.478032
  H      -6.703545      3.830435      1.706067
  H      -5.640113      2.335200     -2.465233
  H      -4.356627      0.402740     -3.410778
  H      -3.283293     -1.233653     -1.856805
  H      -3.431845     -0.926140      0.576580
  H      -4.444494     -0.407786      6.073241
  H      -3.222853     -1.265116      7.045700
  H      -5.158313     -1.031598      8.402370
  H      -4.028332      0.208206      9.045696
  H      -8.771736      4.272385      8.960235
  H     -10.370794      4.520532      4.667817
  H      -9.989751      3.200871      2.576465
  H      -8.451779      1.248739      2.589500
  H      -7.303370      0.567199      4.671160
  N      -2.475616      3.103903      3.543306
  N      -2.192966      3.348948      2.300273
  H      -2.107760      2.548983      1.659992
  H      -2.572457      4.206664      1.888275
99
Coordinates from ORCA-job orca E -6707.144575992839
  N      -3.035411      3.690784      6.233600
  Mo     -2.723541      2.085217      5.043911
  N      -2.833711      0.771656      6.639069
  C      -1.634571      0.711796      7.464216
  C      -0.905019      2.046394      7.447810
  N      -0.741035      2.526527      6.046182
  C      -0.620180      4.004781      5.973941
  C      -1.945340      4.639640      6.420284
  C       0.392682      1.836238      5.368438
  C      -0.066903      1.471717      3.957618
  N      -1.365942      0.843761      4.054921
  H      -2.109254      5.578654      5.862700
  H      -1.880979      4.927800      7.487671
  H      -0.390392      4.251739      4.929435
  H       0.221690      4.350833      6.599794
  H       0.672873      0.811199      3.471464
  H      -0.132239      2.392019      3.353546
  H       0.614479      0.918018      5.929197
  H       1.290568      2.476015      5.390682
  H      -1.875099      0.467911      8.516313
  H      -0.959853     -0.101967      7.114638
  H      -1.500129      2.788110      7.991631
  H       0.082095      1.974164      7.935691
  C      -4.027120      3.690959      7.284086
  C      -4.869320      4.970581      7.325862
  O      -5.564658      5.152643      6.070481
  C      -5.064625      6.074172      5.236095
  O      -4.118584      6.811926      5.465776
  C      -5.840421      6.137130      3.944788
  N      -7.161037      6.114718      4.043688
  C      -7.859492      6.282420      2.887886
  N      -7.374125      6.442217      1.672277
  C      -6.012603      6.429668      1.553453
  C      -5.435829      6.544204      0.264661
  C      -4.066547      6.529993      0.123238
  C      -3.223033      6.403375      1.256134
  C      -3.757577      6.280407      2.523132
  C      -5.163446      6.290296      2.698741
  C      -1.339179     -0.597614      4.107573
  C      -2.699705     -1.235021      3.785352
  O      -3.381934     -0.589967      2.684214
  C      -4.107363      0.519954      2.975124
  O      -4.199801      0.886911      4.215977
  C      -4.760195      1.209709      1.908953
  N      -5.529876      2.256443      2.321616
  C      -6.168293      2.964516      1.391458
  N      -6.119219      2.828921      0.066826
  C      -5.341560      1.794198     -0.391368
  C      -5.247911      1.610582     -1.792002
  C      -4.512815      0.567790     -2.323658
  C      -3.856097     -0.330239     -1.465266
  C      -3.919411     -0.167444     -0.086370
  C      -4.644892      0.898941      0.492549
  C      -3.742116     -0.320677      6.915851
  C      -4.594264     -0.144671      8.173713
  O      -5.554775      0.932854      8.001452
  C      -6.672537      0.639667      7.307138
  O      -6.951761     -0.458037      6.862742
  C      -7.540026      1.861542      7.139452
  N      -7.742352      2.594365      8.226969
  C      -8.592381      3.647799      8.093660
  N      -9.209552      4.047072      6.999147
  C      -8.970584      3.327646      5.864642
  C      -9.569260      3.734779      4.649121
  C      -9.328911      3.022908      3.492864
  C      -8.484132      1.888449      3.503925
  C      -7.891255      1.463131      4.675066
  C      -8.124973      2.169052      5.880029
  H      -3.575882      3.585903      8.296713
  H      -4.702092      2.838016      7.150440
  H      -4.253749      5.856018      7.526252
  H      -5.651106      4.871593      8.089745
  H      -8.949117      6.288002      2.992451
  H      -6.110097      6.620645     -0.588866
  H      -3.622268      6.615454     -0.869716
  H      -2.140046      6.412780      1.120633
  H      -3.108078      6.177996      3.392478
  H      -1.014196     -1.044862      5.076984
  H      -0.609205     -0.941309      3.350135
  H      -3.356500     -1.219283      4.656285
  H      -2.555476     -2.271966      3.460619
  H      -6.818115      3.758792      1.770053
  H      -5.784990      2.316812     -2.426989
  H      -4.448607      0.437369     -3.404898
  H      -3.290724     -1.169101     -1.881149
  H      -3.403465     -0.876132      0.554582
  H      -4.437375     -0.427785      6.072746
  H      -3.200765     -1.284411      7.023329
  H      -5.134164     -1.077054      8.394305
  H      -4.004413      0.159238      9.048317
  H      -8.777044      4.222841      9.004103
  H     -10.204811      4.620864      4.663602
  H      -9.783426      3.341740      2.557055
  H      -8.290499      1.355682      2.572727
  H      -7.228474      0.599932      4.675418
  N      -2.535561      3.109368      3.542839
  N      -2.248604      3.274680      2.289231
  H      -2.127235      2.433996      1.709859
  H      -2.637867      4.094212      1.814288
99
Coordinates from ORCA-job orca E -6707.145302171087
  N      -3.035291      3.695635      6.219020
  Mo     -2.709600      2.090157      5.037458
  N      -2.842135      0.764646      6.618998
  C      -1.655281      0.698686      7.461253
  C      -0.927820      2.034224      7.466217
  N      -0.741230      2.523334      6.069719
  C      -0.617087      4.002449      6.006186
  C      -1.945194      4.634377      6.443686
  C       0.402967      1.835066      5.407783
  C      -0.032415      1.486518      3.985416
  N      -1.334464      0.858729      4.051455
  H      -2.099037      5.586445      5.907623
  H      -1.895805      4.897220      7.518224
  H      -0.376813      4.253831      4.964798
  H       0.219056      4.345369      6.643377
  H       0.714469      0.829990      3.505089
  H      -0.085826      2.413831      3.391074
  H       0.610801      0.910690      5.963971
  H       1.302209      2.471138      5.453869
  H      -1.911512      0.446888      8.507442
  H      -0.975740     -0.112697      7.117030
  H      -1.535672      2.770378      8.003914
  H       0.050578      1.962768      7.971505
  C      -4.046116      3.687344      7.249610
  C      -4.886375      4.966654      7.285475
  O      -5.580615      5.138699      6.028905
  C      -5.056582      6.019461      5.163158
  O      -4.092281      6.741164      5.368477
  C      -5.851712      6.082536      3.884359
  N      -7.170804      6.078542      4.001023
  C      -7.879555      6.250594      2.852585
  N      -7.406456      6.412121      1.631696
  C      -6.046373      6.384620      1.496724
  C      -5.479945      6.505525      0.203107
  C      -4.112102      6.472160      0.047660
  C      -3.261465      6.315539      1.170902
  C      -3.785211      6.187345      2.442308
  C      -5.188368      6.222653      2.631334
  C      -1.307131     -0.582114      4.103401
  C      -2.661358     -1.220769      3.764359
  O      -3.329845     -0.582871      2.653090
  C      -4.057325      0.527550      2.937416
  O      -4.166936      0.889204      4.178611
  C      -4.687048      1.231454      1.865227
  N      -5.480311      2.261414      2.275627
  C      -6.114344      2.969635      1.342708
  N      -6.047955      2.844497      0.016971
  C      -5.244642      1.828085     -0.439524
  C      -5.141916      1.647393     -1.838501
  C      -4.378771      0.622944     -2.368716
  C      -3.698257     -0.256055     -1.508762
  C      -3.775126     -0.098927     -0.129805
  C      -4.537397      0.942973      0.446582
  C      -3.755206     -0.329462      6.876144
  C      -4.608029     -0.169842      8.136173
  O      -5.557701      0.920035      7.988445
  C      -6.694615      0.651573      7.314112
  O      -7.006730     -0.438303      6.870999
  C      -7.557635      1.884472      7.207098
  N      -7.698397      2.601625      8.315284
  C      -8.530488      3.675613      8.238260
  N      -9.186239      4.106915      7.179346
  C      -9.022729      3.395379      6.026432
  C      -9.679664      3.826112      4.850056
  C      -9.524440      3.116529      3.677368
  C      -8.710049      1.959952      3.633298
  C      -8.057677      1.513424      4.761973
  C      -8.202302      2.217917      5.983577
  H      -3.610659      3.570199      8.267322
  H      -4.720725      2.838361      7.096000
  H      -4.270356      5.852226      7.484830
  H      -5.668332      4.870377      8.049426
  H      -8.967655      6.254713      2.968427
  H      -6.160923      6.605292     -0.642456
  H      -3.676007      6.562851     -0.949231
  H      -2.180223      6.305239      1.024279
  H      -3.129766      6.060448      3.304227
  H      -0.995835     -1.029651      5.076495
  H      -0.564693     -0.926456      3.356445
  H      -3.334032     -1.208476      4.625288
  H      -2.507296     -2.258312      3.443668
  H      -6.776278      3.755295      1.717803
  H      -5.697778      2.338656     -2.474047
  H      -4.311251      0.491642     -3.450616
  H      -3.109218     -1.076899     -1.922178
  H      -3.243599     -0.794793      0.512791
  H      -4.449190     -0.422023      6.029945
  H      -3.218598     -1.297932      6.969767
  H      -5.154892     -1.100974      8.340730
  H      -4.013930      0.112247      9.015186
  H      -8.666438      4.236501      9.168271
  H     -10.289427      4.728487      4.905845
  H     -10.021811      3.455296      2.766334
  H      -8.585118      1.428221      2.689293
  H      -7.420956      0.630443      4.716686
  N      -2.506322      3.100859      3.523682
  N      -2.201707      3.173242      2.266948
  H      -2.067237      2.289482      1.758802
  H      -2.579402      3.955760      1.723728
99
Coordinates from ORCA-job orca E -6707.145200853222
  N      -2.945897      3.732988      6.244785
  Mo     -2.673219      2.109993      5.067730
  N      -2.828547      0.792579      6.654285
  C      -1.639355      0.703872      7.491056
  C      -0.874421      2.019066      7.482283
  N      -0.687151      2.496634      6.081784
  C      -0.520545      3.971005      6.009595
  C      -1.828347      4.643190      6.450827
  C       0.430493      1.775039      5.408873
  C      -0.028169      1.433473      3.991305
  N      -1.344707      0.840016      4.074292
  H      -1.961804      5.588967      5.898763
  H      -1.767221      4.920024      7.520563
  H      -0.289099      4.208492      4.963550
  H       0.331157      4.294588      6.635047
  H       0.698838      0.756078      3.508770
  H      -0.067272      2.359727      3.393172
  H       0.620187      0.847740      5.966741
  H       1.346372      2.387485      5.439941
  H      -1.893374      0.466413      8.541180
  H      -0.983053     -0.127428      7.149566
  H      -1.455932      2.776131      8.019819
  H       0.106143      1.921328      7.978304
  C      -3.948058      3.762784      7.283825
  C      -4.761113      5.060591      7.312078
  O      -5.478017      5.232651      6.065733
  C      -4.962261      6.106931      5.186338
  O      -3.993476      6.825585      5.376426
  C      -5.773603      6.167840      3.916942
  N      -7.089960      6.142773      4.051622
  C      -7.818800      6.303877      2.915442
  N      -7.367357      6.471990      1.687425
  C      -6.009832      6.465962      1.532207
  C      -5.465468      6.592243      0.229455
  C      -4.099655      6.582912      0.051320
  C      -3.229557      6.446910      1.161044
  C      -3.729062      6.312429      2.441426
  C      -5.131137      6.320238      2.653416
  C      -1.358291     -0.602319      4.125229
  C      -2.732116     -1.202228      3.804750
  O      -3.398320     -0.549113      2.701162
  C      -4.103626      0.574609      2.994680
  O      -4.178611      0.947489      4.235314
  C      -4.758462      1.269310      1.931851
  N      -5.551652      2.296423      2.353516
  C      -6.201477      2.998514      1.426900
  N      -6.159209      2.866839      0.099958
  C      -5.358982      1.852660     -0.365209
  C      -5.271693      1.670006     -1.764319
  C      -4.496477      0.658145     -2.303253
  C      -3.782550     -0.202037     -1.451241
  C      -3.846859     -0.045232     -0.071677
  C      -4.627693      0.978992      0.512494
  C      -3.749911     -0.297459      6.905252
  C      -4.628093     -0.136195      8.148091
  O      -5.595807      0.931385      7.972576
  C      -6.719777      0.617904      7.296996
  O      -7.000228     -0.491499      6.880828
  C      -7.588565      1.837124      7.100705
  N      -7.721876      2.638713      8.149928
  C      -8.551986      3.705296      7.995534
  N      -9.221604      4.050382      6.913780
  C      -9.072664      3.246304      5.821322
  C      -9.750499      3.577273      4.624398
  C      -9.605330      2.779015      3.509371
  C      -8.778231      1.630608      3.544112
  C      -8.106419      1.278379      4.693502
  C      -8.243708      2.074289      5.859630
  H      -3.505746      3.650917      8.300015
  H      -4.638770      2.925642      7.147453
  H      -4.128783      5.939412      7.490014
  H      -5.532131      4.988380      8.089978
  H      -8.904378      6.289728      3.049687
  H      -6.159220      6.681027     -0.606828
  H      -3.681217      6.677041     -0.952371
  H      -2.150084      6.454436      0.997802
  H      -3.059088      6.204906      3.292908
  H      -1.047045     -1.057146      5.094901
  H      -0.630940     -0.966078      3.373135
  H      -3.394081     -1.182017      4.673798
  H      -2.606493     -2.242910      3.478821
  H      -6.862207      3.783466      1.808501
  H      -5.846580      2.351248     -2.394075
  H      -4.442451      0.524873     -3.386110
  H      -3.175990     -1.005795     -1.871996
  H      -3.288212     -0.724126      0.566486
  H      -4.426626     -0.399631      6.046615
  H      -3.212104     -1.263673      7.020150
  H      -5.162717     -1.073731      8.355544
  H      -4.051712      0.165291      9.032520
  H      -8.668904      4.343721      8.877940
  H     -10.367094      4.476497      4.617443
  H     -10.117971      3.040485      2.579340
  H      -8.658259      1.028813      2.642632
  H      -7.464608      0.398370      4.709154
  N      -2.472645      3.116118      3.551727
  N      -2.188949      3.205646      2.290121
  H      -2.093964      2.324639      1.768433
  H      -2.572745      3.999064      1.766521
99
Coordinates from ORCA-job orca E -6707.145709207130
  N      -2.965993      3.728272      6.259527
  Mo     -2.676530      2.120269      5.071796
  N      -2.824435      0.782320      6.642656
  C      -1.636894      0.689439      7.480869
  C      -0.883992      2.011309      7.491345
  N      -0.697707      2.509388      6.098381
  C      -0.543649      3.986178      6.048395
  C      -1.855949      4.639006      6.501647
  C       0.429387      1.807729      5.420741
  C      -0.016799      1.491512      3.994054
  N      -1.327605      0.882722      4.054759
  H      -1.991169      5.601307      5.976950
  H      -1.803757      4.882642      7.581203
  H      -0.316505      4.242418      5.005994
  H       0.305662      4.307686      6.677306
  H       0.719413      0.831945      3.500614
  H      -0.060800      2.430123      3.416116
  H       0.621156      0.871727      5.962961
  H       1.340839      2.425907      5.470470
  H      -1.893347      0.437932      8.527366
  H      -0.973493     -0.133593      7.131890
  H      -1.473136      2.755967      8.037682
  H       0.096184      1.915831      7.988101
  C      -3.992569      3.741698      7.275864
  C      -4.814354      5.034986      7.305673
  O      -5.527307      5.211697      6.057927
  C      -5.003966      6.082647      5.181956
  O      -4.018223      6.778803      5.367684
  C      -5.800332      6.135356      3.901847
  N      -7.118316      6.158812      4.025733
  C      -7.833715      6.316729      2.880589
  N      -7.368968      6.430031      1.652006
  C      -6.011692      6.365923      1.506832
  C      -5.456875      6.424469      0.204841
  C      -4.091642      6.356352      0.036111
  C      -3.231579      6.230371      1.155281
  C      -3.742104      6.163225      2.436000
  C      -5.144286      6.227518      2.638524
  C      -1.321407     -0.560955      4.083633
  C      -2.685054     -1.179271      3.752488
  O      -3.366175     -0.516071      2.663284
  C      -4.090560      0.589951      2.975432
  O      -4.164976      0.947851      4.221414
  C      -4.764959      1.280636      1.923287
  N      -5.563462      2.298422      2.357779
  C      -6.221031      3.003691      1.438271
  N      -6.181859      2.884422      0.111350
  C      -5.372764      1.882902     -0.365722
  C      -5.275934      1.723259     -1.768068
  C      -4.482734      0.731681     -2.318639
  C      -3.758779     -0.129502     -1.476507
  C      -3.832310      0.004680     -0.095612
  C      -4.632241      1.006998      0.500973
  C      -3.750355     -0.303734      6.890560
  C      -4.620211     -0.137019      8.137905
  O      -5.573165      0.944475      7.967381
  C      -6.702095      0.643071      7.295454
  O      -6.996888     -0.464622      6.884101
  C      -7.567462      1.867830      7.120021
  N      -7.687318      2.657591      8.179359
  C      -8.513736      3.729089      8.043760
  N      -9.185427      4.093750      6.969761
  C      -9.045812      3.304534      5.864528
  C      -9.723225      3.659098      4.673963
  C      -9.594119      2.871678      3.550057
  C      -8.781054      1.713383      3.567208
  C      -8.107311      1.340923      4.711055
  C      -8.229197      2.124142      5.885923
  H      -3.570476      3.617493      8.299307
  H      -4.677215      2.901237      7.113892
  H      -4.188052      5.916689      7.493499
  H      -5.590050      4.953789      8.078244
  H      -8.919505      6.352479      3.007577
  H      -6.142776      6.505982     -0.638439
  H      -3.664884      6.397384     -0.967096
  H      -2.151362      6.193947      0.998701
  H      -3.080909      6.062513      3.294365
  H      -1.003645     -1.025619      5.046425
  H      -0.588577     -0.901955      3.326287
  H      -3.343870     -1.184448      4.622904
  H      -2.543171     -2.211883      3.407758
  H      -6.888635      3.778019      1.829481
  H      -5.854224      2.408214     -2.390178
  H      -4.418984      0.618151     -3.402169
  H      -3.133227     -0.913861     -1.906068
  H      -3.263863     -0.673509      0.534558
  H      -4.432821     -0.393999      6.035755
  H      -3.220275     -1.274652      6.997874
  H      -5.167058     -1.068111      8.340630
  H      -4.038782      0.152009      9.022200
  H      -8.623668      4.354862      8.934145
  H     -10.330994      4.564485      4.681761
  H     -10.111250      3.147509      2.631074
  H      -8.674790      1.119582      2.659074
  H      -7.475793      0.455171      4.714262
  N      -2.478873      3.140172      3.561695
  N      -2.189035      3.185423      2.299090
  H      -2.087087      2.287635      1.805914
  H      -2.554197      3.967059      1.748758
99
Coordinates from ORCA-job orca E -6707.145782632678
  N      -3.020688      3.692514      6.257732
  Mo     -2.688431      2.094735      5.073631
  N      -2.823192      0.742825      6.634135
  C      -1.641628      0.662451      7.481355
  C      -0.917761      1.999483      7.511586
  N      -0.729269      2.514074      6.125714
  C      -0.604917      3.994841      6.090446
  C      -1.932483      4.617072      6.539028
  C       0.419586      1.841527      5.454678
  C      -0.001801      1.535859      4.019165
  N      -1.300825      0.898712      4.052077
  H      -2.077031      5.588576      6.034069
  H      -1.901809      4.836454      7.624857
  H      -0.375453      4.265467      5.052121
  H       0.232678      4.327523      6.728445
  H       0.754296      0.899180      3.525849
  H      -0.057957      2.481158      3.454131
  H       0.621496      0.903116      5.988675
  H       1.318966      2.475830      5.524093
  H      -1.904441      0.397408      8.522977
  H      -0.959592     -0.145020      7.131940
  H      -1.528388      2.726091      8.058900
  H       0.059598      1.920442      8.016850
  C      -4.086794      3.686131      7.233197
  C      -4.929354      4.964824      7.230947
  O      -5.597584      5.126476      5.957165
  C      -5.052155      5.999780      5.097701
  O      -4.093341      6.721001      5.324063
  C      -5.830321      6.068942      3.806886
  N      -7.150354      6.070226      3.912365
  C      -7.853092      6.248151      2.761744
  N      -7.373219      6.400344      1.543500
  C      -6.013810      6.361725      1.416209
  C      -5.443448      6.468022      0.123985
  C      -4.075514      6.430464     -0.027425
  C      -3.227484      6.288237      1.099511
  C      -3.753278      6.172249      2.370597
  C      -5.158799      6.206490      2.555597
  C      -1.262290     -0.545287      4.070475
  C      -2.607489     -1.194127      3.721926
  O      -3.299655     -0.536492      2.634644
  C      -4.055161      0.547269      2.952193
  O      -4.140858      0.894631      4.199839
  C      -4.745243      1.228020      1.903716
  N      -5.556414      2.232776      2.343018
  C      -6.232115      2.927364      1.428112
  N      -6.199984      2.807294      0.101336
  C      -5.372645      1.823870     -0.381391
  C      -5.277502      1.671362     -1.784816
  C      -4.465524      0.699367     -2.341147
  C      -3.722698     -0.150786     -1.504145
  C      -3.793998     -0.022622     -0.121763
  C      -4.611145      0.961366      0.480692
  C      -3.742185     -0.348146      6.879021
  C      -4.600443     -0.180783      8.133350
  O      -5.533425      0.920849      7.976143
  C      -6.659577      0.656969      7.285521
  O      -6.966697     -0.432769      6.838043
  C      -7.526963      1.888420      7.187683
  N      -7.648678      2.607495      8.296577
  C      -8.480710      3.680772      8.231606
  N      -9.152162      4.113441      7.183052
  C      -9.006558      3.401016      6.028124
  C      -9.678546      3.836070      4.861813
  C      -9.545134      3.126308      3.687722
  C      -8.735589      1.966940      3.630889
  C      -8.066178      1.517822      4.748995
  C      -8.190110      2.221744      5.973090
  H      -3.703287      3.564180      8.271868
  H      -4.752954      2.835625      7.041444
  H      -4.325077      5.857175      7.438586
  H      -5.731658      4.872063      7.974540
  H      -8.940775      6.275186      2.874799
  H      -6.119758      6.560273     -0.726143
  H      -3.636587      6.508439     -1.023278
  H      -2.144710      6.278780      0.956865
  H      -3.101341      6.052974      3.234260
  H      -0.941721     -1.010101      5.032662
  H      -0.515415     -0.861793      3.317283
  H      -3.270398     -1.224870      4.587574
  H      -2.437120     -2.218446      3.367286
  H      -6.905971      3.694782      1.822721
  H      -5.870579      2.347248     -2.403075
  H      -4.402462      0.591414     -3.425608
  H      -3.082310     -0.921476     -1.939082
  H      -3.211766     -0.692714      0.504495
  H      -4.431009     -0.431914      6.028681
  H      -3.211423     -1.318966      6.978236
  H      -5.161525     -1.105285      8.329925
  H      -4.009625      0.090008      9.017916
  H      -8.601748      4.239716      9.163849
  H     -10.285495      4.739577      4.927838
  H     -10.056531      3.465030      2.786113
  H      -8.627320      1.434611      2.685166
  H      -7.434063      0.634079      4.694690
  N      -2.494250      3.118780      3.560385
  N      -2.193782      3.101947      2.299805
  H      -2.065807      2.182652      1.853083
  H      -2.544979      3.858797      1.707668
99
Coordinates from ORCA-job orca E -6707.146184911727
  N      -3.000155      3.720186      6.278963
  Mo     -2.686129      2.122477      5.091133
  N      -2.822397      0.756490      6.638068
  C      -1.640140      0.667850      7.483676
  C      -0.911554      2.001989      7.522542
  N      -0.721295      2.522743      6.138517
  C      -0.585257      4.002878      6.109746
  C      -1.904410      4.630967      6.571073
  C       0.420739      1.844958      5.461014
  C      -0.006168      1.553605      4.023809
  N      -1.310422      0.926167      4.053680
  H      -2.042704      5.610682      6.080581
  H      -1.868946      4.834214      7.659811
  H      -0.362687      4.276896      5.070738
  H       0.259337      4.326756      6.743537
  H       0.743934      0.914616      3.524519
  H      -0.056808      2.503526      3.466203
  H       0.614988      0.900694      5.987712
  H       1.325880      2.470435      5.534009
  H      -1.901762      0.395201      8.523542
  H      -0.960606     -0.138608      7.127739
  H      -1.520539      2.727461      8.073582
  H       0.065476      1.917058      8.027771
  C      -4.069271      3.719640      7.250154
  C      -4.896651      5.007215      7.253442
  O      -5.573375      5.174411      5.985561
  C      -5.012129      6.019648      5.106924
  O      -4.022324      6.705559      5.307197
  C      -5.805526      6.095825      3.826440
  N      -7.123512      6.134940      3.949486
  C      -7.835802      6.318406      2.805895
  N      -7.367578      6.444150      1.579627
  C      -6.011155      6.367056      1.435743
  C      -5.453245      6.445301      0.135880
  C      -4.088299      6.369310     -0.031393
  C      -3.232010      6.214002      1.087093
  C      -3.745503      6.124728      2.365375
  C      -5.147120      6.199855      2.566131
  C      -1.279927     -0.517753      4.077543
  C      -2.632802     -1.158554      3.747159
  O      -3.326255     -0.509180      2.656793
  C      -4.072793      0.582181      2.970379
  O      -4.149581      0.935676      4.215925
  C      -4.759029      1.266851      1.921323
  N      -5.564292      2.275853      2.362089
  C      -6.244538      2.968381      1.449155
  N      -6.224971      2.841080      0.122580
  C      -5.401688      1.855339     -0.362017
  C      -5.324202      1.690660     -1.764923
  C      -4.517538      0.715218     -2.323366
  C      -3.763870     -0.127926     -1.488833
  C      -3.821079      0.008846     -0.107018
  C      -4.633166      0.996496      0.497623
  C      -3.733012     -0.347090      6.862770
  C      -4.604902     -0.208881      8.112341
  O      -5.550042      0.883813      7.967071
  C      -6.680564      0.615512      7.283564
  O      -6.981033     -0.472308      6.826344
  C      -7.532823      1.854806      7.152767
  N      -7.642637      2.607288      8.240245
  C      -8.451610      3.695965      8.143312
  N      -9.111906      4.112795      7.081367
  C      -8.982439      3.362589      5.948644
  C      -9.646716      3.775715      4.769563
  C      -9.529690      3.027935      3.617481
  C      -8.744601      1.850583      3.596262
  C      -8.082491      1.422308      4.726574
  C      -8.189833      2.165634      5.928776
  H      -3.689603      3.585883      8.288439
  H      -4.743876      2.878865      7.050615
  H      -4.280719      5.892607      7.455555
  H      -5.693314      4.923910      8.003937
  H      -8.921507      6.368311      2.931920
  H      -6.136517      6.549678     -0.707179
  H      -3.659030      6.426499     -1.033045
  H      -2.151823      6.172317      0.932171
  H      -3.087217      5.996745      3.223221
  H      -0.953372     -0.979294      5.039268
  H      -0.541358     -0.843202      3.319308
  H      -3.291293     -1.175925      4.618580
  H      -2.472524     -2.188082      3.402613
  H      -6.909833      3.742400      1.845272
  H      -5.926573      2.360329     -2.381070
  H      -4.468449      0.598012     -3.407686
  H      -3.128687     -0.901462     -1.925472
  H      -3.233430     -0.657810      0.517345
  H      -4.413106     -0.428904      6.004903
  H      -3.192236     -1.313520      6.953760
  H      -5.155802     -1.142889      8.291190
  H      -4.022834      0.055332      9.004659
  H      -8.557948      4.286989      9.058098
  H     -10.233698      4.693820      4.808238
  H     -10.034873      3.349920      2.705132
  H      -8.648563      1.287360      2.667500
  H      -7.469641      0.523265      4.698684
  N      -2.496574      3.147928      3.574227
  N      -2.208180      3.101384      2.312034
  H      -2.056077      2.173342      1.892511
  H      -2.570903      3.838381      1.701627
99
Coordinates from ORCA-job orca E -6707.146202995757
  N      -2.984022      3.715379      6.283984
  Mo     -2.662635      2.119662      5.091209
  N      -2.817718      0.751068      6.634678
  C      -1.640739      0.656410      7.487004
  C      -0.904401      1.987911      7.532821
  N      -0.705528      2.516046      6.152109
  C      -0.565973      3.995695      6.131626
  C      -1.889382      4.625471      6.581876
  C       0.438839      1.841264      5.474980
  C       0.017468      1.552497      4.035453
  N      -1.286184      0.925989      4.062002
  H      -2.022303      5.600792      6.080885
  H      -1.864622      4.834708      7.669434
  H      -0.339579      4.273532      5.094645
  H       0.274920      4.315398      6.772100
  H       0.770661      0.914203      3.539699
  H      -0.034355      2.502827      3.477993
  H       0.632734      0.895915      5.999946
  H       1.343095      2.467499      5.550062
  H      -1.907854      0.384742      8.525923
  H      -0.962652     -0.153147      7.134990
  H      -1.511437      2.715062      8.083793
  H       0.070283      1.894667      8.040958
  C      -4.057182      3.714926      7.250156
  C      -4.887577      5.000367      7.249552
  O      -5.569749      5.166749      5.982415
  C      -5.026216      6.033672      5.112518
  O      -4.039432      6.723060      5.313776
  C      -5.802673      6.087737      3.820177
  N      -7.122589      6.091136      3.925549
  C      -7.825473      6.248894      2.773085
  N      -7.345823      6.370480      1.550750
  C      -5.986258      6.327986      1.424533
  C      -5.414724      6.399600      0.130258
  C      -4.045898      6.363399     -0.020604
  C      -3.199313      6.257728      1.110259
  C      -3.724800      6.174565      2.383951
  C      -5.131395      6.203162      2.567395
  C      -1.261254     -0.518767      4.072621
  C      -2.614546     -1.150171      3.730717
  O      -3.300659     -0.490604      2.641977
  C      -4.059637      0.591305      2.962175
  O      -4.130829      0.943581      4.208039
  C      -4.764041      1.264054      1.917848
  N      -5.585444      2.258202      2.366329
  C      -6.286196      2.935843      1.457975
  N      -6.277964      2.806681      0.131361
  C      -5.440329      1.836602     -0.359426
  C      -5.372007      1.670929     -1.762811
  C      -4.548550      0.712837     -2.327796
  C      -3.768085     -0.111775     -1.499261
  C      -3.816973      0.024349     -0.117700
  C      -4.645986      0.994613      0.493416
  C      -3.740179     -0.345260      6.852044
  C      -4.621213     -0.210416      8.096569
  O      -5.559525      0.888167      7.960186
  C      -6.687848      0.631098      7.268704
  O      -6.993902     -0.454308      6.808035
  C      -7.531933      1.876651      7.137832
  N      -7.607515      2.648643      8.214103
  C      -8.407683      3.743604      8.120711
  N      -9.096545      4.146710      7.071626
  C      -9.003187      3.376342      5.948686
  C      -9.697929      3.775225      4.781863
  C      -9.611229      3.013821      3.636475
  C      -8.827807      1.835302      3.610117
  C      -8.140503      1.417670      4.729476
  C      -8.216519      2.175333      5.925117
  H      -3.682751      3.585435      8.291226
  H      -4.725957      2.870660      7.049247
  H      -4.275946      5.889334      7.449321
  H      -5.683394      4.915520      8.000951
  H      -8.913254      6.271125      2.886499
  H      -6.088887      6.469426     -0.723525
  H      -3.606142      6.415063     -1.017836
  H      -2.116348      6.247383      0.969800
  H      -3.074199      6.087731      3.252289
  H      -0.940337     -0.987591      5.032322
  H      -0.517789     -0.839522      3.316938
  H      -3.277342     -1.176358      4.598842
  H      -2.455999     -2.177564      3.377182
  H      -6.965928      3.694292      1.859599
  H      -5.994235      2.326279     -2.374580
  H      -4.507262      0.595279     -3.412245
  H      -3.117944     -0.868958     -1.941210
  H      -3.209419     -0.627731      0.503033
  H      -4.413114     -0.422508      5.988488
  H      -3.204971     -1.314680      6.947908
  H      -5.179050     -1.142101      8.264315
  H      -4.040985      0.040594      8.993536
  H      -8.474690      4.355803      9.025439
  H     -10.281669      4.695255      4.824196
  H     -10.138276      3.325593      2.733186
  H      -8.753387      1.261727      2.685835
  H      -7.530932      0.516871      4.698842
  N      -2.480974      3.163234      3.587030
  N      -2.189694      3.176887      2.324469
  H      -2.017887      2.268614      1.871274
  H      -2.579451      3.922900      1.742056
99
Coordinates from ORCA-job orca E -6707.146472678207
  N      -2.974774      3.722636      6.300302
  Mo     -2.650831      2.129424      5.110675
  N      -2.812158      0.744713      6.639221
  C      -1.640711      0.644118      7.498343
  C      -0.909005      1.976748      7.561588
  N      -0.700373      2.515856      6.186678
  C      -0.559451      3.995819      6.179734
  C      -1.881693      4.620379      6.634928
  C       0.448763      1.846290      5.512583
  C       0.040236      1.581907      4.065096
  N      -1.264527      0.955047      4.065924
  H      -2.006139      5.610368      6.161261
  H      -1.866456      4.797990      7.728771
  H      -0.331387      4.283568      5.145800
  H       0.280559      4.309103      6.824526
  H       0.797236      0.952498      3.563830
  H      -0.006106      2.542095      3.524778
  H       0.634057      0.892892      6.025877
  H       1.354480      2.467976      5.606710
  H      -1.915141      0.362336      8.532532
  H      -0.958445     -0.160732      7.144029
  H      -1.523468      2.697143      8.113317
  H       0.061611      1.882631      8.077319
  C      -4.075433      3.723246      7.235123
  C      -4.900481      5.011957      7.220141
  O      -5.571637      5.173319      5.947186
  C      -5.018040      6.028991      5.072741
  O      -4.033140      6.720287      5.275956
  C      -5.800129      6.086904      3.783921
  N      -7.119383      6.110698      3.896640
  C      -7.826254      6.269897      2.746760
  N      -7.351684      6.376302      1.521078
  C      -5.993805      6.310698      1.387570
  C      -5.428834      6.360682      0.089434
  C      -4.061904      6.296551     -0.068638
  C      -3.210584      6.183405      1.058333
  C      -3.730185      6.122007      2.335681
  C      -5.134506      6.180396      2.526632
  C      -1.236183     -0.490307      4.059616
  C      -2.585432     -1.124467      3.707486
  O      -3.275726     -0.456638      2.626104
  C      -4.044527      0.614287      2.960410
  O      -4.110213      0.955834      4.209086
  C      -4.764651      1.287341      1.927190
  N      -5.586387      2.274699      2.388629
  C      -6.303738      2.950062      1.491426
  N      -6.313736      2.822314      0.164835
  C      -5.474688      1.860300     -0.339313
  C      -5.422015      1.699840     -1.744101
  C      -4.597724      0.750306     -2.321870
  C      -3.800364     -0.070357     -1.505314
  C      -3.832591      0.062019     -0.122788
  C      -4.662055      1.023324      0.501005
  C      -3.734019     -0.354847      6.843766
  C      -4.619230     -0.228329      8.085923
  O      -5.555687      0.871749      7.951714
  C      -6.684072      0.617207      7.259627
  O      -6.992395     -0.467676      6.799749
  C      -7.530319      1.862100      7.139387
  N      -7.606330      2.625408      8.222011
  C      -8.403981      3.722676      8.135866
  N      -9.086364      4.138043      7.087272
  C      -8.992461      3.376875      5.958238
  C      -9.678399      3.790782      4.791572
  C      -9.593605      3.036993      3.640927
  C      -8.820463      1.851907      3.609219
  C      -8.139432      1.421378      4.727289
  C      -8.212941      2.171283      5.928143
  H      -3.729836      3.582505      8.284474
  H      -4.743879      2.884174      7.010274
  H      -4.286911      5.899365      7.421629
  H      -5.703593      4.933575      7.964461
  H      -8.912978      6.309899      2.865677
  H      -6.106976      6.434717     -0.760881
  H      -3.627159      6.330953     -1.068859
  H      -2.128902      6.150216      0.911630
  H      -3.076667      6.026060      3.200831
  H      -0.915363     -0.969353      5.014148
  H      -0.490534     -0.799246      3.301197
  H      -3.247924     -1.162392      4.574590
  H      -2.421219     -2.147067      3.343198
  H      -6.982772      3.703163      1.904008
  H      -6.056903      2.351950     -2.346259
  H      -4.568320      0.636582     -3.407131
  H      -3.149617     -0.821109     -1.957393
  H      -3.211905     -0.586716      0.488856
  H      -4.403980     -0.425465      5.977340
  H      -3.198926     -1.324732      6.934349
  H      -5.178872     -1.160714      8.243763
  H      -4.043087      0.015345      8.987544
  H      -8.473969      4.326047      9.046168
  H     -10.253665      4.715856      4.838288
  H     -10.113859      3.359941      2.737523
  H      -8.748778      1.283470      2.681488
  H      -7.537170      0.515856      4.691933
  N      -2.463138      3.173654      3.600658
  N      -2.173107      3.119925      2.340236
  H      -2.010804      2.188668      1.931051
  H      -2.524451      3.855922      1.723088
99
Coordinates from ORCA-job orca E -6707.146594726391
  N      -2.987270      3.718500      6.316160
  Mo     -2.646602      2.135027      5.124066
  N      -2.805272      0.731127      6.634257
  C      -1.637243      0.629161      7.497750
  C      -0.919429      1.967703      7.583216
  N      -0.706927      2.527024      6.216735
  C      -0.578730      4.008783      6.230014
  C      -1.906746      4.613844      6.690136
  C       0.453090      1.877240      5.541854
  C       0.057302      1.632032      4.087763
  N      -1.241663      0.992601      4.067618
  H      -2.032067      5.617207      6.244357
  H      -1.904448      4.758281      7.789380
  H      -0.351649      4.312845      5.200561
  H       0.256736      4.321123      6.881085
  H       0.823497      1.018294      3.581145
  H       0.004476      2.600286      3.562654
  H       0.642746      0.917859      6.042299
  H       1.353060      2.504632      5.652695
  H      -1.914708      0.331733      8.526739
  H      -0.945586     -0.164796      7.137090
  H      -1.545588      2.673975      8.140007
  H       0.048407      1.876675      8.104751
  C      -4.114961      3.705870      7.218031
  C      -4.936774      4.994868      7.195009
  O      -5.585038      5.161031      5.911671
  C      -5.003259      6.002477      5.041949
  O      -4.007770      6.674370      5.256643
  C      -5.786540      6.091980      3.755653
  N      -7.104669      6.150856      3.872941
  C      -7.810533      6.334917      2.726109
  N      -7.336782      6.434985      1.499443
  C      -5.981540      6.334323      1.361515
  C      -5.419139      6.376434      0.062022
  C      -4.054825      6.277500     -0.100283
  C      -3.203408      6.136696      1.023704
  C      -3.720953      6.081479      2.302117
  C      -5.122554      6.175793      2.497320
  C      -1.197326     -0.452923      4.050003
  C      -2.538810     -1.099533      3.692593
  O      -3.234569     -0.435365      2.612014
  C      -4.024995      0.618846      2.951674
  O      -4.088648      0.957903      4.200041
  C      -4.762488      1.280725      1.923694
  N      -5.581174      2.268030      2.390073
  C      -6.317763      2.931233      1.499496
  N      -6.349490      2.791638      0.174639
  C      -5.511193      1.832413     -0.335392
  C      -5.479771      1.661777     -1.739796
  C      -4.656785      0.715179     -2.323502
  C      -3.839529     -0.092783     -1.513882
  C      -3.850725      0.049506     -0.132102
  C      -4.678485      1.008286      0.497945
  C      -3.724017     -0.372501      6.826336
  C      -4.612130     -0.254395      8.066622
  O      -5.542745      0.851495      7.939108
  C      -6.670722      0.609514      7.241170
  O      -6.977898     -0.466825      6.760921
  C      -7.515325      1.857171      7.140154
  N      -7.588982      2.604976      8.233743
  C      -8.385301      3.704224      8.165221
  N      -9.067852      4.136382      7.123433
  C      -8.976525      3.391856      5.983299
  C      -9.661860      3.825701      4.823384
  C      -9.582508      3.087874      3.662118
  C      -8.818021      1.897837      3.614027
  C      -8.137433      1.448395      4.725221
  C      -8.201994      2.183542      5.935598
  H      -3.799867      3.549118      8.274664
  H      -4.778211      2.870082      6.962109
  H      -4.322953      5.879465      7.407783
  H      -5.751652      4.917303      7.926302
  H      -8.895493      6.405716      2.848599
  H      -6.097561      6.472099     -0.785828
  H      -3.622123      6.305670     -1.101544
  H      -2.123164      6.077850      0.873894
  H      -3.068213      5.962210      3.165028
  H      -0.871726     -0.934921      5.001497
  H      -0.447927     -0.747132      3.289398
  H      -3.201508     -1.145807      4.559319
  H      -2.363604     -2.119238      3.325616
  H      -6.989574      3.688404      1.916743
  H      -6.129362      2.304167     -2.336651
  H      -4.643121      0.594282     -3.408252
  H      -3.190077     -0.841872     -1.971163
  H      -3.215156     -0.589450      0.474287
  H      -4.391419     -0.437023      5.957358
  H      -3.188005     -1.342257      6.911651
  H      -5.175820     -1.186263      8.212714
  H      -4.037788     -0.022372      8.972599
  H      -8.458600      4.290355      9.086461
  H     -10.231809      4.753247      4.884151
  H     -10.101853      3.426281      2.764316
  H      -8.752701      1.340513      2.679122
  H      -7.542516      0.538662      4.677479
  N      -2.464612      3.189779      3.612372
  N      -2.179634      3.090966      2.355209
  H      -1.974531      2.151790      1.983729
  H      -2.525713      3.804763      1.710380
99
Coordinates from ORCA-job orca E -6707.146679442091
  N      -2.950076      3.719895      6.334188
  Mo     -2.616315      2.134289      5.144253
  N      -2.793760      0.726155      6.646684
  C      -1.629011      0.612455      7.513381
  C      -0.901721      1.945972      7.608741
  N      -0.679519      2.513069      6.246224
  C      -0.542036      3.994179      6.267468
  C      -1.868123      4.605157      6.723747
  C       0.479584      1.861346      5.571555
  C       0.087126      1.623108      4.115736
  N      -1.215067      0.991310      4.090314
  H      -1.982687      5.612555      6.283633
  H      -1.873176      4.740366      7.823910
  H      -0.310867      4.301525      5.240076
  H       0.292866      4.298422      6.922720
  H       0.851747      1.006975      3.609734
  H       0.039023      2.592955      3.592496
  H       0.664123      0.899186      6.068659
  H       1.382171      2.484156      5.686587
  H      -1.910666      0.311854      8.540358
  H      -0.941159     -0.183886      7.150897
  H      -1.525304      2.652915      8.167385
  H       0.063398      1.844306      8.133446
  C      -4.085239      3.710322      7.226318
  C      -4.899187      5.003087      7.198171
  O      -5.559263      5.165973      5.919801
  C      -4.988611      6.009133      5.043494
  O      -3.985733      6.673642      5.243738
  C      -5.794318      6.106040      3.771317
  N      -7.109741      6.167096      3.914377
  C      -7.838017      6.353031      2.782171
  N      -7.388887      6.449760      1.545926
  C      -6.037029      6.347415      1.381636
  C      -5.500355      6.386928      0.070974
  C      -4.139122      6.292145     -0.118278
  C      -3.265074      6.160206      0.989017
  C      -3.756870      6.105424      2.277611
  C      -5.155227      6.192802      2.500553
  C      -1.181420     -0.455122      4.064628
  C      -2.526774     -1.088426      3.701188
  O      -3.213088     -0.416313      2.618982
  C      -4.011613      0.632091      2.962436
  O      -4.064566      0.974707      4.209247
  C      -4.757606      1.291018      1.939210
  N      -5.554865      2.294197      2.409446
  C      -6.295031      2.960350      1.524673
  N      -6.349381      2.810330      0.201340
  C      -5.532781      1.835163     -0.312735
  C      -5.524939      1.652862     -1.715968
  C      -4.724037      0.690235     -2.304406
  C      -3.905538     -0.122533     -1.500491
  C      -3.893684      0.030747     -0.119910
  C      -4.698762      1.005956      0.514744
  C      -3.723440     -0.369594      6.830186
  C      -4.627636     -0.246955      8.058505
  O      -5.554201      0.860814      7.919409
  C      -6.669351      0.619078      7.200694
  O      -6.963254     -0.456778      6.710841
  C      -7.516327      1.863919      7.084369
  N      -7.601805      2.619819      8.171480
  C      -8.402053      3.715055      8.089528
  N      -9.079772      4.136417      7.040163
  C      -8.975981      3.384662      5.906199
  C      -9.654133      3.808700      4.738053
  C      -9.560769      3.065743      3.581195
  C      -8.791429      1.878288      3.547083
  C      -8.118022      1.437836      4.665426
  C      -8.195164      2.179578      5.871682
  H      -3.779540      3.550396      8.285378
  H      -4.750224      2.877129      6.965185
  H      -4.277429      5.885152      7.397589
  H      -5.708051      4.937386      7.936756
  H      -8.919749      6.429833      2.926801
  H      -6.195128      6.479707     -0.763918
  H      -3.726364      6.318698     -1.127945
  H      -2.187355      6.107442      0.818447
  H      -3.086871      5.993383      3.127993
  H      -0.861298     -0.943555      5.014701
  H      -0.432293     -0.749846      3.304304
  H      -3.191876     -1.130474      4.566439
  H      -2.359388     -2.109008      3.332752
  H      -6.948240      3.731331      1.946144
  H      -6.174281      2.299627     -2.308626
  H      -4.728114      0.561099     -3.388496
  H      -3.273496     -0.884024     -1.961874
  H      -3.257298     -0.611229      0.482508
  H      -4.379917     -0.431370      5.952626
  H      -3.194213     -1.342409      6.924784
  H      -5.196056     -1.177286      8.196491
  H      -4.063875     -0.017640      8.971968
  H      -8.485304      4.306609      9.006979
  H     -10.228616      4.733926      4.788892
  H     -10.072199      3.397828      2.674953
  H      -8.715606      1.315870      2.616145
  H      -7.520249      0.529446      4.628594
  N      -2.435964      3.195798      3.631372
  N      -2.155067      3.094325      2.375175
  H      -1.946763      2.154876      2.005944
  H      -2.484343      3.815172      1.729094
99
Coordinates from ORCA-job orca E -6707.146746432485
  N      -2.934641      3.736402      6.349773
  Mo     -2.602229      2.156376      5.156795
  N      -2.779722      0.733379      6.643605
  C      -1.612719      0.611277      7.506433
  C      -0.887343      1.944641      7.617885
  N      -0.665801      2.529766      6.262849
  C      -0.530252      4.010903      6.303265
  C      -1.857173      4.612811      6.767148
  C       0.494948      1.888821      5.580974
  C       0.102548      1.665813      4.123033
  N      -1.198724      1.032125      4.090162
  H      -1.967678      5.630419      6.350535
  H      -1.868076      4.721112      7.870569
  H      -0.299242      4.331949      5.279845
  H       0.304380      4.307780      6.962667
  H       0.867521      1.056829      3.609083
  H       0.051978      2.641085      3.609904
  H       0.682454      0.921671      6.067159
  H       1.396150      2.512309      5.702845
  H      -1.891360      0.297429      8.530309
  H      -0.923780     -0.178783      7.132504
  H      -1.511568      2.642773      8.186680
  H       0.077923      1.836966      8.141056
  C      -4.087905      3.720485      7.218427
  C      -4.900020      5.013731      7.187359
  O      -5.542685      5.178851      5.900473
  C      -4.976029      6.042800      5.042409
  O      -3.981351      6.714910      5.258548
  C      -5.744734      6.108185      3.745491
  N      -7.065310      6.137728      3.846040
  C      -7.760259      6.291838      2.688116
  N      -7.273462      6.384279      1.465552
  C      -5.914653      6.315944      1.346594
  C      -5.335128      6.353357      0.054148
  C      -3.966427      6.292286     -0.087783
  C      -3.126886      6.197672      1.049937
  C      -3.660693      6.145708      2.321707
  C      -5.067191      6.197836      2.495841
  C      -1.164655     -0.414380      4.044626
  C      -2.510865     -1.042444      3.674922
  O      -3.197746     -0.357565      2.600421
  C      -4.012212      0.673661      2.961322
  O      -4.049562      1.009731      4.209566
  C      -4.789704      1.323366      1.955930
  N      -5.586058      2.318447      2.445648
  C      -6.360652      2.972029      1.581491
  N      -6.454114      2.814415      0.261289
  C      -5.643084      1.845037     -0.273083
  C      -5.680660      1.652149     -1.674393
  C      -4.893404      0.690444     -2.281917
  C      -4.043748     -0.111323     -1.499759
  C      -3.985408      0.053974     -0.121653
  C      -4.773885      1.029745      0.532085
  C      -3.711496     -0.361482      6.822961
  C      -4.620893     -0.238507      8.047335
  O      -5.554293      0.862752      7.902322
  C      -6.673693      0.603512      7.195470
  O      -6.967941     -0.483346      6.730712
  C      -7.529506      1.840474      7.063906
  N      -7.599731      2.622627      8.133694
  C      -8.404800      3.713099      8.038504
  N      -9.095248      4.110506      6.987914
  C      -9.006641      3.332169      5.870657
  C      -9.700615      3.729162      4.702493
  C      -9.629088      2.955428      3.564311
  C      -8.865505      1.763839      3.549371
  C      -8.173945      1.351423      4.667598
  C      -8.228728      2.124752      5.855187
  H      -3.804120      3.544998      8.280927
  H      -4.749786      2.892142      6.934591
  H      -4.278916      5.894219      7.396409
  H      -5.718011      4.947099      7.915885
  H      -8.847947      6.340403      2.796044
  H      -6.003540      6.417333     -0.804655
  H      -3.520558      6.316479     -1.083446
  H      -2.043181      6.173606      0.916340
  H      -3.017790      6.060517      3.196536
  H      -0.843150     -0.914842      4.987577
  H      -0.417280     -0.697966      3.278086
  H      -3.174177     -1.088881      4.541450
  H      -2.345606     -2.060073      3.297409
  H      -7.015089      3.731581      2.021189
  H      -6.354707      2.288947     -2.249784
  H      -4.932779      0.552853     -3.364297
  H      -3.424433     -0.873864     -1.976067
  H      -3.324837     -0.579158      0.463810
  H      -4.364501     -0.423599      5.942684
  H      -3.182896     -1.334180      6.919847
  H      -5.185215     -1.171215      8.186248
  H      -4.061052     -0.003354      8.961719
  H      -8.474591      4.327017      8.942074
  H     -10.271958      4.657133      4.739127
  H     -10.153856      3.265532      2.658768
  H      -8.808297      1.175805      2.632696
  H      -7.580678      0.439607      4.645567
  N      -2.434774      3.228282      3.641317
  N      -2.167309      3.104965      2.386422
  H      -1.941913      2.163050      2.031744
  H      -2.478746      3.823713      1.730281
99
Coordinates from ORCA-job orca E -6707.146854306736
  N      -2.931631      3.732673      6.353769
  Mo     -2.599379      2.154750      5.156624
  N      -2.778154      0.732704      6.643143
  C      -1.610876      0.608757      7.505505
  C      -0.883331      1.941282      7.617605
  N      -0.661714      2.527801      6.263273
  C      -0.525273      4.008217      6.305406
  C      -1.853421      4.611264      6.765497
  C       0.498649      1.887703      5.580207
  C       0.104194      1.660650      4.123495
  N      -1.196596      1.026933      4.096593
  H      -1.963989      5.626073      6.342509
  H      -1.864114      4.726648      7.868170
  H      -0.290476      4.329513      5.282858
  H       0.307769      4.303737      6.967429
  H       0.868341      1.049627      3.610638
  H       0.053106      2.633982      3.606545
  H       0.688785      0.921738      6.067699
  H       1.398906      2.513120      5.698866
  H      -1.889329      0.294224      8.529300
  H      -0.922777     -0.181491      7.130390
  H      -1.505330      2.640001      8.188245
  H       0.082181      1.830889      8.139682
  C      -4.078622      3.714549      7.231181
  C      -4.888474      5.009991      7.210720
  O      -5.535017      5.185216      5.926563
  C      -4.965945      6.049965      5.071266
  O      -3.971588      6.721695      5.291184
  C      -5.748506      6.140170      3.783975
  N      -7.066943      6.193638      3.901294
  C      -7.773676      6.366990      2.753365
  N      -7.301252      6.451838      1.524782
  C      -5.945723      6.356868      1.387707
  C      -5.383356      6.383053      0.087512
  C      -4.018374      6.294061     -0.073203
  C      -3.165199      6.180889      1.052676
  C      -3.682251      6.139906      2.331687
  C      -5.085146      6.220625      2.525438
  C      -1.163721     -0.419352      4.049981
  C      -2.510211     -1.045421      3.677593
  O      -3.193059     -0.358387      2.601966
  C      -4.008463      0.673346      2.959573
  O      -4.048554      1.013527      4.207337
  C      -4.786251      1.315824      1.950414
  N      -5.583776      2.313949      2.432125
  C      -6.354965      2.962651      1.561436
  N      -6.444072      2.797696      0.241791
  C      -5.635990      1.820884     -0.283695
  C      -5.671904      1.616533     -1.683379
  C      -4.888826      0.645311     -2.281390
  C      -4.044904     -0.154188     -1.490956
  C      -3.987493      0.023332     -0.114263
  C      -4.771139      1.009282      0.529495
  C      -3.713195     -0.359264      6.822538
  C      -4.625426     -0.231598      8.044229
  O      -5.557738      0.869762      7.891414
  C      -6.674371      0.609503      7.180768
  O      -6.971000     -0.479438      6.722189
  C      -7.523858      1.849099      7.035405
  N      -7.589986      2.642624      8.097050
  C      -8.389652      3.735987      7.990328
  N      -9.078071      4.125794      6.935626
  C      -8.992605      3.335858      5.826169
  C      -9.685082      3.723786      4.654095
  C      -9.616280      2.938487      3.523755
  C      -8.854844      1.745382      3.519670
  C      -8.164866      1.341609      4.642178
  C      -8.219285      2.125456      5.822782
  H      -3.786578      3.535687      8.290849
  H      -4.743487      2.887901      6.950762
  H      -4.263649      5.887236      7.422501
  H      -5.704560      4.942285      7.941530
  H      -8.858636      6.436054      2.875780
  H      -6.062139      6.460744     -0.761990
  H      -3.585925      6.309286     -1.074948
  H      -2.084391      6.133187      0.903899
  H      -3.029031      6.041878      3.197129
  H      -0.844610     -0.920779      4.993062
  H      -0.415375     -0.703114      3.284521
  H      -3.175244     -1.090176      4.542629
  H      -2.346120     -2.063413      3.300347
  H      -7.010275      3.724884      1.994330
  H      -6.341677      2.251835     -2.265276
  H      -4.927284      0.498409     -3.362511
  H      -3.428858     -0.924041     -1.959417
  H      -3.330490     -0.607732      0.477702
  H      -4.364530     -0.421540      5.941026
  H      -3.187131     -1.332873      6.922075
  H      -5.190390     -1.163438      8.185990
  H      -4.068135      0.008057      8.958898
  H      -8.455029      4.360656      8.886607
  H     -10.254479      4.653332      4.681926
  H     -10.140190      3.241133      2.615777
  H      -8.797587      1.149648      2.607872
  H      -7.572370      0.429229      4.628483
  N      -2.430828      3.231536      3.645539
  N      -2.157923      3.131006      2.389950
  H      -1.923862      2.197496      2.019071
  H      -2.469811      3.858649      1.743431
99
Coordinates from ORCA-job orca E -6707.146895577599
  N      -2.933264      3.731908      6.367108
  Mo     -2.600588      2.156040      5.170045
  N      -2.772564      0.727037      6.649094
  C      -1.605046      0.602556      7.510822
  C      -0.883103      1.936791      7.630315
  N      -0.662599      2.529729      6.278930
  C      -0.529058      4.010241      6.328243
  C      -1.858259      4.607899      6.790909
  C       0.499315      1.895202      5.593108
  C       0.105203      1.675177      4.135000
  N      -1.194475      1.038814      4.103757
  H      -1.969121      5.626899      6.377860
  H      -1.872047      4.712665      7.894723
  H      -0.294210      4.336674      5.307343
  H       0.302999      4.304523      6.991904
  H       0.870295      1.068382      3.618541
  H       0.052785      2.651277      3.623477
  H       0.691535      0.927149      6.075613
  H       1.398167      2.522003      5.715281
  H      -1.883085      0.281200      8.532584
  H      -0.913754     -0.182839      7.131701
  H      -1.508123      2.630521      8.204015
  H       0.082237      1.827302      8.153055
  C      -4.090129      3.711219      7.232165
  C      -4.902377      5.005174      7.207940
  O      -5.542576      5.178915      5.920477
  C      -4.968255      6.039720      5.064892
  O      -3.974907      6.711930      5.287491
  C      -5.754522      6.137776      3.780400
  N      -7.071989      6.202910      3.902314
  C      -7.780779      6.384616      2.756796
  N      -7.311583      6.466823      1.526913
  C      -5.957511      6.359877      1.385283
  C      -5.398704      6.384722      0.083516
  C      -4.034577      6.288606     -0.080940
  C      -3.178714      6.169640      1.042433
  C      -3.692553      6.128225      2.322736
  C      -5.094506      6.215717      2.520093
  C      -1.159057     -0.407127      4.047672
  C      -2.504681     -1.034437      3.673687
  O      -3.190842     -0.343899      2.602438
  C      -4.013178      0.680113      2.966767
  O      -4.047910      1.019076      4.215229
  C      -4.797593      1.322556      1.962922
  N      -5.578271      2.332601      2.447204
  C      -6.346474      2.989515      1.579825
  N      -6.445685      2.823157      0.261086
  C      -5.655820      1.832877     -0.266878
  C      -5.704724      1.624765     -1.665509
  C      -4.939434      0.640872     -2.266196
  C      -4.099967     -0.166899     -1.479475
  C      -4.029918      0.014371     -0.103746
  C      -4.796299      1.012047      0.542671
  C      -3.704145     -0.367989      6.825538
  C      -4.617582     -0.240588      8.045944
  O      -5.548520      0.861094      7.886785
  C      -6.661910      0.602574      7.170831
  O      -6.955747     -0.484412      6.705647
  C      -7.502708      1.846574      7.014232
  N      -7.570512      2.644922      8.072124
  C      -8.360867      3.743946      7.954813
  N      -9.039925      4.133633      6.894212
  C      -8.953619      3.337670      5.789214
  C      -9.636337      3.724817      4.611097
  C      -9.567172      2.933059      3.485337
  C      -8.814552      1.734353      3.491735
  C      -8.133577      1.331427      4.619746
  C      -8.188573      2.121921      5.795991
  H      -3.807503      3.527998      8.293537
  H      -4.752164      2.885152      6.942474
  H      -4.280345      5.883509      7.423206
  H      -5.722172      4.935742      7.934369
  H      -8.864351      6.466948      2.882955
  H      -6.079517      6.468919     -0.763748
  H      -3.604733      6.304420     -1.083800
  H      -2.098387      6.118104      0.890311
  H      -3.037579      6.025539      3.186058
  H      -0.837806     -0.913939      4.987177
  H      -0.411293     -0.684380      3.279444
  H      -3.168268     -1.084390      4.539553
  H      -2.338539     -2.050281      3.291715
  H      -6.984270      3.765991      2.014056
  H      -6.369815      2.267689     -2.244524
  H      -4.987919      0.490935     -3.346513
  H      -3.497141     -0.946073     -1.949818
  H      -3.376116     -0.622917      0.485068
  H      -4.354954     -0.430515      5.943450
  H      -3.176505     -1.340722      6.923959
  H      -5.182283     -1.172418      8.188478
  H      -4.062285      0.001915      8.961108
  H      -8.430910      4.371164      8.849065
  H     -10.199273      4.658425      4.630878
  H     -10.083208      3.235101      2.572145
  H      -8.755926      1.134309      2.582976
  H      -7.546792      0.415212      4.613473
  N      -2.432930      3.234225      3.655832
  N      -2.166796      3.109195      2.401899
  H      -1.899865      2.176973      2.050504
  H      -2.479029      3.823865      1.741196
99
Coordinates from ORCA-job orca E -6707.146955228759
  N      -2.919888      3.739492      6.377123
  Mo     -2.590581      2.162994      5.181271
  N      -2.761046      0.732119      6.656017
  C      -1.593317      0.607089      7.517507
  C      -0.872001      1.941689      7.639763
  N      -0.650784      2.537376      6.289511
  C      -0.516712      4.017751      6.341333
  C      -1.846106      4.614760      6.803757
  C       0.510753      1.904036      5.602004
  C       0.114625      1.685384      4.144061
  N      -1.185442      1.049902      4.114191
  H      -1.956708      5.634679      6.392381
  H      -1.860702      4.717796      7.907767
  H      -0.280807      4.345491      5.321000
  H       0.314766      4.310950      7.006237
  H       0.878455      1.078243      3.626247
  H       0.062512      2.661951      3.633242
  H       0.704287      0.935399      6.082838
  H       1.409313      2.531319      5.723687
  H      -1.871030      0.283091      8.538563
  H      -0.901231     -0.176728      7.136704
  H      -1.497586      2.634031      8.214749
  H       0.092910      1.831352      8.163336
  C      -4.077217      3.715927      7.241461
  C      -4.886433      5.011204      7.221273
  O      -5.525512      5.187896      5.933826
  C      -4.945172      6.043638      5.077143
  O      -3.941894      6.702362      5.295452
  C      -5.732210      6.148269      3.793650
  N      -7.048991      6.225553      3.917111
  C      -7.756819      6.415332      2.772144
  N      -7.287682      6.494851      1.541997
  C      -5.934581      6.376978      1.399209
  C      -5.376022      6.401325      0.097334
  C      -4.012462      6.297674     -0.067775
  C      -3.157169      6.171027      1.055131
  C      -3.670935      6.128312      2.335425
  C      -5.072337      6.223672      2.533239
  C      -1.152629     -0.395482      4.049370
  C      -2.500110     -1.018217      3.674231
  O      -3.186103     -0.322885      2.606132
  C      -4.014762      0.694221      2.976520
  O      -4.040903      1.034138      4.224693
  C      -4.811436      1.332317      1.979684
  N      -5.582278      2.347583      2.469178
  C      -6.360672      3.002026      1.609092
  N      -6.479344      2.828614      0.292869
  C      -5.702125      1.831114     -0.240312
  C      -5.776721      1.610909     -1.635894
  C      -5.027387      0.617632     -2.241244
  C      -4.179062     -0.188275     -1.462333
  C      -4.084009      0.004521     -0.089754
  C      -4.833103      1.012483      0.561305
  C      -3.692457     -0.363192      6.830368
  C      -4.616475     -0.230275      8.042068
  O      -5.551242      0.865203      7.863064
  C      -6.651956      0.597393      7.130620
  O      -6.934768     -0.494786      6.670479
  C      -7.502532      1.833637      6.964589
  N      -7.580387      2.636995      8.017997
  C      -8.379138      3.729042      7.892984
  N      -9.059841      4.106692      6.829281
  C      -8.964322      3.305483      5.729018
  C      -9.649194      3.679911      4.547858
  C      -9.571355      2.883099      3.426346
  C      -8.808043      1.691270      3.440374
  C      -8.125828      1.300022      4.571949
  C      -8.188668      2.096386      5.743737
  H      -3.794316      3.527413      8.301689
  H      -4.741147      2.892156      6.948569
  H      -4.261988      5.887383      7.437879
  H      -5.705780      4.942723      7.947965
  H      -8.839564      6.508009      2.899165
  H      -6.056555      6.492900     -0.749375
  H      -3.582728      6.314475     -1.070683
  H      -2.077199      6.114241      0.902448
  H      -3.016260      6.019400      3.198267
  H      -0.830880     -0.908197      4.985609
  H      -0.406459     -0.669542      3.278433
  H      -3.163137     -1.069930      4.540757
  H      -2.336123     -2.033286      3.289251
  H      -6.987830      3.784860      2.047337
  H      -6.448905      2.252138     -2.208587
  H      -5.096042      0.458271     -3.319028
  H      -3.589503     -0.975578     -1.936184
  H      -3.423951     -0.631771      0.492735
  H      -4.336669     -0.431034      5.943652
  H      -3.164709     -1.334926      6.936467
  H      -5.177512     -1.163674      8.188460
  H      -4.070004      0.024241      8.959362
  H      -8.457502      4.359985      8.783917
  H     -10.221339      4.607986      4.562388
  H     -10.088586      3.175889      2.511041
  H      -8.741808      1.087900      2.534390
  H      -7.530899      0.389060      4.571380
  N      -2.430846      3.242141      3.663324
  N      -2.172904      3.107466      2.410029
  H      -1.920837      2.169842      2.061627
  H      -2.464127      3.828998      1.746906
99
Coordinates from ORCA-job orca E -6707.146998497132
  N      -2.890653      3.748035      6.393475
  Mo     -2.571948      2.172570      5.194348
  N      -2.748949      0.737506      6.661971
  C      -1.581533      0.602625      7.522608
  C      -0.852947      1.933062      7.650769
  N      -0.628476      2.534457      6.303672
  C      -0.486368      4.013582      6.362450
  C      -1.813216      4.615495      6.825689
  C       0.529262      1.898716      5.612293
  C       0.130275      1.688073      4.153956
  N      -1.172748      1.059479      4.124016
  H      -1.918186      5.637677      6.418729
  H      -1.828672      4.713715      7.930153
  H      -0.247174      4.344595      5.343921
  H       0.345775      4.299299      7.029802
  H       0.890128      1.078719      3.632931
  H       0.082798      2.666948      3.646736
  H       0.719090      0.927132      6.088533
  H       1.430662      2.521613      5.735167
  H      -1.861029      0.275343      8.542145
  H      -0.893471     -0.182905      7.138123
  H      -1.474443      2.626081      8.229305
  H       0.111202      1.814708      8.174037
  C      -4.047914      3.724111      7.258030
  C      -4.854275      5.021301      7.246935
  O      -5.500037      5.204365      5.963538
  C      -4.928196      6.068917      5.110257
  O      -3.925474      6.729064      5.326823
  C      -5.716384      6.170961      3.827158
  N      -7.033144      6.244411      3.951855
  C      -7.742582      6.430560      2.807249
  N      -7.274968      6.508623      1.576476
  C      -5.921765      6.393569      1.432399
  C      -5.364888      6.413600      0.129716
  C      -4.001522      6.309802     -0.036701
  C      -3.144688      6.187278      1.085514
  C      -3.656654      6.149189      2.366652
  C      -5.057926      6.244638      2.565802
  C      -1.149171     -0.385225      4.044790
  C      -2.500383     -0.995912      3.663918
  O      -3.183527     -0.286438      2.603110
  C      -4.015507      0.724333      2.984356
  O      -4.031096      1.061687      4.233608
  C      -4.829413      1.356125      1.997977
  N      -5.596180      2.371030      2.494867
  C      -6.389157      3.019221      1.643527
  N      -6.529853      2.837319      0.330595
  C      -5.761747      1.836092     -0.209016
  C      -5.861714      1.604484     -1.601071
  C      -5.124602      0.605093     -2.211643
  C      -4.262924     -0.195053     -1.441507
  C      -4.141867      0.010140     -0.072676
  C      -4.877227      1.024945      0.582987
  C      -3.689846     -0.350039      6.836283
  C      -4.623086     -0.201076      8.039251
  O      -5.557409      0.890351      7.835741
  C      -6.655832      0.605270      7.106558
  O      -6.938766     -0.498960      6.676079
  C      -7.499520      1.839975      6.896371
  N      -7.562783      2.686598      7.916540
  C      -8.353070      3.779559      7.752677
  N      -9.037460      4.120259      6.678974
  C      -8.957719      3.273573      5.612145
  C      -9.648770      3.605613      4.421923
  C      -9.589622      2.761306      3.334588
  C      -8.838484      1.562953      3.392326
  C      -8.149268      1.212925      4.532952
  C      -8.193431      2.058382      5.670957
  H      -3.763509      3.527914      8.316496
  H      -4.714964      2.904106      6.961751
  H      -4.227613      5.895758      7.464823
  H      -5.670438      4.950888      7.976990
  H      -8.825444      6.519235      2.935284
  H      -6.046595      6.501298     -0.716474
  H      -3.573166      6.322768     -1.040257
  H      -2.064940      6.129930      0.931375
  H      -3.000927      6.042025      3.228850
  H      -0.830613     -0.909214      4.975876
  H      -0.404860     -0.656281      3.271056
  H      -3.163039     -1.052126      4.530183
  H      -2.342040     -2.008495      3.269685
  H      -7.015992      3.798236      2.088253
  H      -6.543953      2.241417     -2.166626
  H      -5.213389      0.436376     -3.286601
  H      -3.682937     -0.986971     -1.919061
  H      -3.470930     -0.621297      0.502987
  H      -4.328531     -0.419634      5.945850
  H      -3.169436     -1.324523      6.952027
  H      -5.184973     -1.132323      8.195878
  H      -4.083518      0.068287      8.956285
  H      -8.416158      4.449224      8.616183
  H     -10.211993      4.539062      4.402451
  H     -10.111407      3.021052      2.411842
  H      -8.786383      0.921654      2.511612
  H      -7.563970      0.296459      4.565691
  N      -2.413452      3.257521      3.677170
  N      -2.162335      3.119325      2.423922
  H      -1.909209      2.181551      2.075606
  H      -2.437521      3.846638      1.760546
99
Coordinates from ORCA-job orca E -6707.147056498188
  N      -2.849795      3.764787      6.417730
  Mo     -2.548754      2.189790      5.214632
  N      -2.730346      0.750921      6.674546
  C      -1.563185      0.606202      7.534138
  C      -0.825350      1.931386      7.666032
  N      -0.597831      2.536089      6.321234
  C      -0.443831      4.013563      6.384792
  C      -1.766428      4.624887      6.848815
  C       0.552755      1.894281      5.623956
  C       0.146815      1.691718      4.166090
  N      -1.160702      1.073637      4.140178
  H      -1.865483      5.647253      6.440817
  H      -1.780236      4.724423      7.953222
  H      -0.201198      4.345687      5.367408
  H       0.390098      4.290748      7.053613
  H       0.899716      1.077523      3.640718
  H       0.105764      2.672704      3.661929
  H       0.737367      0.919487      6.095644
  H       1.458802      2.510629      5.745336
  H      -1.844925      0.276931      8.552499
  H      -0.880128     -0.182212      7.146669
  H      -1.441085      2.627053      8.247564
  H       0.138109      1.804158      8.188659
  C      -4.005034      3.743030      7.285544
  C      -4.809073      5.041439      7.278972
  O      -5.459041      5.224103      5.997592
  C      -4.890601      6.088899      5.142611
  O      -3.894374      6.758348      5.360341
  C      -5.680479      6.187803      3.860264
  N      -6.997451      6.255345      3.986006
  C      -7.708620      6.436436      2.841455
  N      -7.242091      6.513964      1.610292
  C      -5.888522      6.403512      1.465246
  C      -5.332994      6.421249      0.162019
  C      -3.969550      6.319548     -0.005491
  C      -3.111560      6.200675      1.116143
  C      -3.622053      6.165242      2.397882
  C      -5.023243      6.259919      2.598130
  C      -1.151734     -0.369756      4.044343
  C      -2.509997     -0.962591      3.660190
  O      -3.189745     -0.235527      2.609030
  C      -4.023773      0.768948      3.003363
  O      -4.023687      1.105212      4.253237
  C      -4.857483      1.395023      2.030500
  N      -5.609373      2.417553      2.535245
  C      -6.419914      3.059599      1.695768
  N      -6.593864      2.863248      0.388998
  C      -5.846288      1.849993     -0.157192
  C      -5.986841      1.597900     -1.542182
  C      -5.275046      0.583040     -2.157544
  C      -4.398995     -0.212645     -1.399233
  C      -4.237822      0.012934     -0.037842
  C      -4.945350      1.044745      0.621904
  C      -3.676978     -0.332334      6.845671
  C      -4.628682     -0.165006      8.031873
  O      -5.567846      0.913684      7.786839
  C      -6.647378      0.604239      7.039443
  O      -6.913023     -0.512684      6.630677
  C      -7.502000      1.825458      6.794438
  N      -7.569509      2.701070      7.789627
  C      -8.370468      3.781310      7.598029
  N      -9.063258      4.084280      6.518715
  C      -8.978430      3.208905      5.475939
  C      -9.677284      3.501143      4.279639
  C      -9.613386      2.628547      3.215445
  C      -8.850461      1.439397      3.303292
  C      -8.154276      1.127266      4.450864
  C      -8.201922      2.003097      5.565506
  H      -3.716477      3.544334      8.342569
  H      -4.675790      2.925533      6.990501
  H      -4.181615      5.915817      7.495370
  H      -5.622770      4.970414      8.011909
  H      -8.791807      6.520029      2.970155
  H      -6.015759      6.504938     -0.683698
  H      -3.542229      6.330401     -1.009476
  H      -2.031917      6.144181      0.960760
  H      -2.965346      6.058822      3.259382
  H      -0.836444     -0.907563      4.968844
  H      -0.411926     -0.639796      3.265906
  H      -3.171069     -1.022529      4.527482
  H      -2.361820     -1.972759      3.255395
  H      -7.035218      3.843901      2.146745
  H      -6.679904      2.231635     -2.098035
  H      -5.395416      0.398462     -3.226729
  H      -3.839107     -1.016869     -1.879941
  H      -3.555901     -0.615263      0.528427
  H      -4.303915     -0.409820      5.947715
  H      -3.161109     -1.306937      6.977054
  H      -5.186097     -1.096302      8.202943
  H      -4.104360      0.130993      8.949422
  H      -8.433684      4.476671      8.440901
  H     -10.251261      4.427314      4.237337
  H     -10.139259      2.858901      2.287740
  H      -8.793671      0.776035      2.439236
  H      -7.559409      0.218392      4.506676
  N      -2.391644      3.281102      3.698337
  N      -2.150516      3.139094      2.444446
  H      -1.869292      2.208200      2.098520
  H      -2.420633      3.866771      1.779662
99
Coordinates from ORCA-job orca E -6707.147219843600
  N      -2.782757      3.781874      6.466983
  Mo     -2.513542      2.207500      5.257791
  N      -2.696823      0.763644      6.705328
  C      -1.529476      0.603931      7.562418
  C      -0.776726      1.920918      7.696774
  N      -0.547435      2.529562      6.354442
  C      -0.374606      4.004127      6.423824
  C      -1.688733      4.629873      6.893667
  C       0.589771      1.878321      5.644974
  C       0.169370      1.691094      4.188598
  N      -1.145034      1.089227      4.171206
  H      -1.780370      5.653057      6.485899
  H      -1.696591      4.730182      7.998051
  H      -0.129972      4.337369      5.407305
  H       0.464102      4.268521      7.091877
  H       0.910029      1.070554      3.653442
  H       0.137382      2.676348      3.691463
  H       0.766577      0.897899      6.107850
  H       1.503620      2.483747      5.762640
  H      -1.814739      0.273509      8.579533
  H      -0.855285     -0.190087      7.171148
  H      -1.382438      2.621440      8.283079
  H       0.186480      1.780769      8.216868
  C      -3.931278      3.761400      7.345133
  C      -4.730375      5.062526      7.358349
  O      -5.396404      5.257292      6.087223
  C      -4.836098      6.123756      5.229009
  O      -3.836687      6.791239      5.437574
  C      -5.645071      6.234749      3.959534
  N      -6.959138      6.307711      4.108152
  C      -7.689355      6.499918      2.977345
  N      -7.243360      6.584723      1.739260
  C      -5.892968      6.467382      1.570170
  C      -5.360251      6.490658      0.257615
  C      -4.000634      6.380140      0.065524
  C      -3.124228      6.246494      1.171004
  C      -3.612023      6.206156      2.461335
  C      -5.008843      6.310461      2.686700
  C      -1.158279     -0.351308      4.048074
  C      -2.527477     -0.918180      3.663978
  O      -3.208196     -0.164601      2.632267
  C      -4.045731      0.827709      3.050869
  O      -4.015540      1.164318      4.300939
  C      -4.913199      1.444063      2.103146
  N      -5.625641      2.490144      2.616828
  C      -6.462230      3.125680      1.798308
  N      -6.698920      2.900952      0.506125
  C      -5.997501      1.858795     -0.046963
  C      -6.211088      1.570339     -1.415414
  C      -5.550655      0.523417     -2.034771
  C      -4.653612     -0.268053     -1.296969
  C      -4.420165     -0.006080      0.047343
  C      -5.073637      1.058963      0.709941
  C      -3.656715     -0.307836      6.874847
  C      -4.643017     -0.088754      8.023635
  O      -5.575372      0.969983      7.683254
  C      -6.621269      0.620085      6.906547
  O      -6.871043     -0.518806      6.550956
  C      -7.458887      1.828812      6.557823
  N      -7.516360      2.783500      7.478311
  C      -8.304000      3.853877      7.200315
  N      -8.998221      4.075125      6.102777
  C      -8.922288      3.119063      5.133293
  C      -9.620910      3.322783      3.918157
  C      -9.566064      2.369862      2.925199
  C      -8.814331      1.183787      3.105816
  C      -8.119356      0.955953      4.273817
  C      -8.156070      1.916656      5.316854
  H      -3.630232      3.553648      8.397279
  H      -4.610865      2.950215      7.052092
  H      -4.099809      5.934599      7.575609
  H      -5.535834      4.985088      8.100213
  H      -8.769839      6.585919      3.125846
  H      -6.057205      6.584968     -0.575326
  H      -3.590923      6.395173     -0.945670
  H      -2.047870      6.183229      0.995650
  H      -2.940784      6.085925      3.309549
  H      -0.844478     -0.911121      4.960344
  H      -0.428041     -0.618264      3.259721
  H      -3.182385     -0.987495      4.535132
  H      -2.394401     -1.923184      3.240674
  H      -7.043358      3.931377      2.255562
  H      -6.918397      2.202639     -1.954754
  H      -5.727622      0.310759     -3.090782
  H      -4.133388     -1.097021     -1.779998
  H      -3.722058     -0.631199      0.597175
  H      -4.260503     -0.403182      5.963065
  H      -3.155254     -1.283556      7.043246
  H      -5.201929     -1.011858      8.230025
  H      -4.148096      0.262534      8.937957
  H      -8.356625      4.616595      7.983568
  H     -10.189023      4.246651      3.804738
  H     -10.087777      2.533638      1.981375
  H      -8.763285      0.455821      2.294871
  H      -7.531638      0.049900      4.400452
  N      -2.363937      3.307498      3.740660
  N      -2.147782      3.146841      2.485992
  H      -1.844675      2.219431      2.147998
  H      -2.397015      3.877503      1.816724
99
Coordinates from ORCA-job orca E -6707.147172572866
  N      -2.735219      3.786477      6.512622
  Mo     -2.491330      2.212885      5.297657
  N      -2.672303      0.768167      6.738875
  C      -1.504960      0.598436      7.594335
  C      -0.739402      1.908996      7.724027
  N      -0.511347      2.516406      6.381405
  C      -0.324132      3.988715      6.449958
  C      -1.630542      4.627948      6.925686
  C       0.613351      1.856044      5.661706
  C       0.179951      1.682957      4.206790
  N      -1.139669      1.093455      4.196966
  H      -1.719263      5.649124      6.512103
  H      -1.629817      4.735909      8.029198
  H      -0.080757      4.319809      5.432561
  H       0.519822      4.245449      7.114377
  H       0.910641      1.058996      3.662115
  H       0.154326      2.672618      3.717794
  H       0.782102      0.870685      6.117073
  H       1.534545      2.451010      5.776047
  H      -1.794269      0.272820      8.611939
  H      -0.839594     -0.203315      7.204012
  H      -1.336468      2.615839      8.311657
  H       0.224386      1.761169      8.241162
  C      -3.874430      3.770292      7.404281
  C      -4.667382      5.074708      7.431644
  O      -5.344213      5.281560      6.169007
  C      -4.782989      6.138778      5.302160
  O      -3.772246      6.793474      5.496048
  C      -5.617065      6.269377      4.051135
  N      -6.926412      6.345128      4.232287
  C      -7.684698      6.553600      3.123298
  N      -7.268416      6.661050      1.876916
  C      -5.922646      6.542313      1.673198
  C      -5.422818      6.588439      0.348510
  C      -4.069092      6.472304      0.119972
  C      -3.166614      6.310456      1.200186
  C      -3.621703      6.249729      2.501598
  C      -5.011577      6.360168      2.764260
  C      -1.169339     -0.344413      4.055048
  C      -2.546384     -0.895000      3.675313
  O      -3.234427     -0.123074      2.662651
  C      -4.070259      0.861904      3.101813
  O      -4.016597      1.198465      4.351902
  C      -4.960264      1.476042      2.175362
  N      -5.627683      2.549647      2.692635
  C      -6.484235      3.183002      1.893214
  N      -6.779810      2.932121      0.618179
  C      -6.122294      1.863826      0.061510
  C      -6.398557      1.547632     -1.289720
  C      -5.782031      0.475541     -1.911549
  C      -4.866382     -0.313191     -1.193635
  C      -4.571738     -0.024183      0.132871
  C      -5.180810      1.065692      0.797605
  C      -3.644855     -0.291212      6.910326
  C      -4.661247     -0.012256      8.019337
  O      -5.575023      1.028088      7.584550
  C      -6.593169      0.645909      6.786770
  O      -6.832149     -0.508402      6.475383
  C      -7.393677      1.844997      6.331273
  N      -7.433656      2.871997      7.171418
  C      -8.196784      3.932769      6.806664
  N      -8.893656      4.076027      5.698233
  C      -8.832627      3.046385      4.806557
  C      -9.529031      3.166642      3.578388
  C      -9.486638      2.141451      2.659886
  C      -8.752131      0.961743      2.931355
  C      -8.060985      0.813310      4.114240
  C      -8.083757      1.850296      5.082339
  H      -3.559900      3.561380      8.452833
  H      -4.563257      2.964125      7.118302
  H      -4.034716      5.944538      7.651873
  H      -5.468187      4.990738      8.178958
  H      -8.761737      6.629223      3.299963
  H      -6.139855      6.702729     -0.464707
  H      -3.684695      6.504555     -0.900699
  H      -2.095397      6.242514      0.996232
  H      -2.929548      6.106951      3.329147
  H      -0.853748     -0.919324      4.957699
  H      -0.448029     -0.609910      3.258107
  H      -3.194030     -0.977254      4.550581
  H      -2.422980     -1.894449      3.235584
  H      -7.024162      4.016037      2.350661
  H      -7.117238      2.180350     -1.813463
  H      -6.006827      0.242159     -2.954000
  H      -4.378956     -1.160858     -1.678345
  H      -3.859878     -0.647534      0.666977
  H      -4.226816     -0.407354      5.987218
  H      -3.160105     -1.266850      7.118180
  H      -5.229596     -0.919870      8.264828
  H      -4.190722      0.392201      8.924488
  H      -8.233419      4.756510      7.526477
  H     -10.084847      4.086656      3.394240
  H     -10.001666      2.242731      1.703569
  H      -8.711570      0.173705      2.177926
  H      -7.485371     -0.087803      4.311218
  N      -2.350160      3.319027      3.782437
  N      -2.155946      3.143194      2.525943
  H      -1.862173      2.211257      2.191733
  H      -2.386742      3.878202      1.854928
99
Coordinates from ORCA-job orca E -6707.147253818373
  N      -2.776420      3.772413      6.486570
  Mo     -2.519664      2.195600      5.274777
  N      -2.693413      0.755158      6.727455
  C      -1.523513      0.593887      7.580757
  C      -0.764357      1.908297      7.701506
  N      -0.543433      2.509070      6.355124
  C      -0.364939      3.982719      6.414417
  C      -1.671464      4.618837      6.892144
  C       0.584955      1.850820      5.639376
  C       0.156039      1.673088      4.184039
  N      -1.160814      1.075128      4.170209
  H      -1.764369      5.638487      6.475633
  H      -1.668899      4.730198      7.995108
  H      -0.128281      4.310057      5.394389
  H       0.480595      4.247623      7.073456
  H       0.892481      1.054321      3.641236
  H       0.124545      2.662296      3.695563
  H       0.754673      0.867221      6.098261
  H       1.504807      2.447916      5.755491
  H      -1.810472      0.274848      8.600986
  H      -0.857082     -0.208836      7.194397
  H      -1.364997      2.615171      8.285399
  H       0.201941      1.769979      8.216359
  C      -3.916709      3.771971      7.375499
  C      -4.695996      5.084949      7.386674
  O      -5.359373      5.297131      6.119132
  C      -4.774789      6.134207      5.247248
  O      -3.738500      6.751267      5.430858
  C      -5.610908      6.281159      3.999847
  N      -6.917643      6.373594      4.188941
  C      -7.681882      6.591936      3.086595
  N      -7.272095      6.707271      1.838900
  C      -5.928731      6.577940      1.626697
  C      -5.436578      6.634745      0.299592
  C      -4.085612      6.505787      0.061169
  C      -3.178267      6.321614      1.133932
  C      -3.626286      6.252004      2.437505
  C      -5.012807      6.373936      2.710108
  C      -1.175666     -0.366375      4.058909
  C      -2.547252     -0.941450      3.695695
  O      -3.246269     -0.196514      2.671428
  C      -4.069740      0.806150      3.090462
  O      -4.035669      1.150016      4.339363
  C      -4.924756      1.436848      2.141955
  N      -5.580750      2.524917      2.642917
  C      -6.404533      3.175982      1.823028
  N      -6.670579      2.932482      0.540119
  C      -6.009901      1.860792     -0.004803
  C      -6.242886      1.564200     -1.368967
  C      -5.611628      0.497219     -1.983966
  C      -4.723368     -0.305414     -1.246484
  C      -4.472340     -0.036672      0.093159
  C      -5.101510      1.044708      0.753124
  C      -3.657901     -0.311132      6.910204
  C      -4.652986     -0.056754      8.044981
  O      -5.568057      1.005072      7.668511
  C      -6.600946      0.644410      6.878715
  O      -6.813727     -0.496579      6.506345
  C      -7.425881      1.844041      6.473506
  N      -7.502126      2.832538      7.356408
  C      -8.299952      3.881393      7.032466
  N      -9.005772      4.042361      5.931557
  C      -8.905190      3.055357      4.996485
  C      -9.602600      3.202229      3.771893
  C      -9.512957      2.223131      2.807084
  C      -8.728401      1.065417      3.027291
  C      -8.036113      0.892186      4.205712
  C      -8.108717      1.880773      5.221303
  H      -3.610259      3.574955      8.428912
  H      -4.610560      2.968667      7.094166
  H      -4.056700      5.948928      7.609635
  H      -5.505030      5.010915      8.126450
  H      -8.758140      6.663032      3.269518
  H      -6.157282      6.765824     -0.507968
  H      -3.706923      6.545908     -0.961485
  H      -2.109062      6.243559      0.923365
  H      -2.930362      6.095781      3.259789
  H      -0.850614     -0.917710      4.972620
  H      -0.454227     -0.641909      3.265541
  H      -3.191511     -1.015685      4.574205
  H      -2.414739     -1.946572      3.272695
  H      -6.928038      4.028711      2.263599
  H      -6.938572      2.209189     -1.908740
  H      -5.801439      0.280074     -3.036968
  H      -4.222856     -1.148249     -1.726853
  H      -3.782176     -0.670641      0.643021
  H      -4.258939     -0.420405      5.998597
  H      -3.161015     -1.284474      7.097970
  H      -5.225242     -0.967176      8.271268
  H      -4.161835      0.311267      8.954910
  H      -8.368033      4.671921      7.785944
  H     -10.191901      4.107879      3.624436
  H     -10.028902      2.346256      1.852923
  H      -8.654916      0.312350      2.241456
  H      -7.423120      0.007834      4.365569
  N      -2.375218      3.290321      3.759958
  N      -2.174796      3.104680      2.502562
  H      -1.935922      2.155544      2.174353
  H      -2.409949      3.835388      1.828173
99
Coordinates from ORCA-job orca E -6707.147675487348
  N      -2.748421      3.795135      6.504155
  Mo     -2.487885      2.226723      5.284701
  N      -2.676220      0.766875      6.716644
  C      -1.511697      0.596665      7.575850
  C      -0.752586      1.909094      7.720373
  N      -0.520149      2.528268      6.384183
  C      -0.338798      4.000862      6.465587
  C      -1.649166      4.633119      6.937620
  C       0.612473      1.877066      5.667924
  C       0.192121      1.712139      4.208767
  N      -1.125870      1.118142      4.181895
  H      -1.732460      5.658646      6.534455
  H      -1.660061      4.726784      8.042478
  H      -0.091723      4.341319      5.452081
  H       0.500998      4.254400      7.136553
  H       0.930140      1.095918      3.665074
  H       0.164016      2.704596      3.725995
  H       0.780414      0.889323      6.118514
  H       1.531730      2.472793      5.793872
  H      -1.803203      0.263677      8.590420
  H      -0.841011     -0.199407      7.183039
  H      -1.355751      2.607796      8.311599
  H       0.209822      1.760296      8.239513
  C      -3.904377      3.785382      7.371979
  C      -4.690655      5.094646      7.377288
  O      -5.341244      5.299740      6.100519
  C      -4.763787      6.157908      5.245291
  O      -3.745810      6.797960      5.451456
  C      -5.572172      6.280223      3.976229
  N      -6.885529      6.358743      4.126899
  C      -7.619280      6.549744      2.998419
  N      -7.174629      6.645068      1.760393
  C      -5.824565      6.529160      1.589379
  C      -5.293581      6.563608      0.276282
  C      -3.934680      6.448780      0.081056
  C      -3.056951      6.301295      1.183999
  C      -3.543084      6.252487      2.474704
  C      -4.938732      6.359780      2.702933
  C      -1.149677     -0.321218      4.041886
  C      -2.524015     -0.875004      3.656405
  O      -3.206700     -0.103917      2.638730
  C      -4.049043      0.876155      3.076435
  O      -4.002591      1.205320      4.327373
  C      -4.940812      1.488901      2.149209
  N      -5.622687      2.552030      2.671746
  C      -6.487887      3.178307      1.876138
  N      -6.786030      2.923871      0.602195
  C      -6.114895      1.867216      0.040581
  C      -6.392229      1.550813     -1.310346
  C      -5.761571      0.490977     -1.937736
  C      -4.830861     -0.285887     -1.226148
  C      -4.535043      0.003385      0.100156
  C      -5.158546      1.080992      0.771062
  C      -3.639687     -0.304007      6.880553
  C      -4.656240     -0.063619      7.998920
  O      -5.584775      0.983788      7.616901
  C      -6.605562      0.610209      6.816893
  O      -6.835694     -0.540041      6.484902
  C      -7.451735      1.798018      6.424998
  N      -7.495158      2.798985      7.296234
  C      -8.295366      3.849102      6.983425
  N      -9.027151      4.002707      5.898007
  C      -8.961061      3.001663      4.974330
  C      -9.689398      3.140347      3.767569
  C      -9.634339      2.148964      2.812685
  C      -8.853740      0.987240      3.025459
  C      -8.132708      0.821238      4.188011
  C      -8.170235      1.822141      5.193553
  H      -3.616312      3.578150      8.428215
  H      -4.589642      2.981761      7.072945
  H      -4.056258      5.961420      7.604240
  H      -5.506749      5.019987      8.108461
  H      -8.700393      6.624202      3.148908
  H      -5.990994      6.668842     -0.555096
  H      -3.526259      6.471450     -0.930637
  H      -1.981384      6.233562      1.007156
  H      -2.871654      6.125066      3.322146
  H      -0.836294     -0.892232      4.947147
  H      -0.423798     -0.584575      3.248305
  H      -3.175263     -0.954451      4.529682
  H      -2.398527     -1.874627      3.218442
  H      -7.038674      4.002333      2.338168
  H      -7.122752      2.173414     -1.829682
  H      -5.986975      0.257480     -2.980179
  H      -4.333475     -1.125058     -1.716118
  H      -3.811767     -0.610092      0.630114
  H      -4.221646     -0.416927      5.956906
  H      -3.139983     -1.274226      7.077822
  H      -5.218168     -0.982804      8.215623
  H      -4.182246      0.310686      8.915527
  H      -8.325517      4.655518      7.722465
  H     -10.273750      4.050072      3.625026
  H     -10.175556      2.264996      1.872793
  H      -8.804224      0.226449      2.244834
  H      -7.523460     -0.066503      4.341649
  N      -2.341696      3.339044      3.775241
  N      -2.137880      3.167853      2.519115
  H      -1.844008      2.235265      2.187540
  H      -2.371609      3.901819      1.848372
99
Coordinates from ORCA-job orca E -6707.147999437071
  N      -2.722383      3.795487      6.524778
  Mo     -2.478434      2.226148      5.302980
  N      -2.664439      0.770638      6.738474
  C      -1.498166      0.597340      7.595034
  C      -0.729791      1.905630      7.729141
  N      -0.501051      2.518029      6.389177
  C      -0.310775      3.989326      6.464697
  C      -1.614487      4.630129      6.943966
  C       0.622606      1.857953      5.667540
  C       0.192687      1.696762      4.210652
  N      -1.128905      1.110855      4.191630
  H      -1.696540      5.654048      6.536695
  H      -1.615418      4.729604      8.048367
  H      -0.067303      4.325646      5.448958
  H       0.534481      4.239990      7.129971
  H       0.923583      1.076785      3.661665
  H       0.167901      2.689920      3.729160
  H       0.785206      0.868766      6.116980
  H       1.547133      2.446484      5.788669
  H      -1.789636      0.272180      8.612162
  H      -0.834346     -0.205697      7.204758
  H      -1.325536      2.610792      8.320257
  H       0.234399      1.753532      8.244142
  C      -3.867866      3.792557      7.406337
  C      -4.647805      5.105960      7.422576
  O      -5.307277      5.323672      6.153038
  C      -4.731917      6.179993      5.295066
  O      -3.706226      6.810563      5.491588
  C      -5.560476      6.320744      4.041295
  N      -6.869085      6.418568      4.218110
  C      -7.622311      6.628868      3.106271
  N      -7.200384      6.729507      1.860636
  C      -5.855487      6.594996      1.662352
  C      -5.349311      6.637048      0.339700
  C      -3.996488      6.502061      0.116628
  C      -3.100144      6.326402      1.200202
  C      -3.561899      6.271288      2.499540
  C      -4.950719      6.400183      2.756526
  C      -1.161295     -0.327663      4.048109
  C      -2.539818     -0.875314      3.668216
  O      -3.229040     -0.097582      2.660156
  C      -4.065040      0.883632      3.107086
  O      -4.006322      1.214350      4.357823
  C      -4.964661      1.497357      2.188539
  N      -5.624026      2.575447      2.709095
  C      -6.496636      3.200596      1.920901
  N      -6.823821      2.930126      0.657370
  C      -6.176893      1.857246      0.098598
  C      -6.487574      1.521541     -1.240532
  C      -5.882193      0.444497     -1.863682
  C      -4.944232     -0.330634     -1.159619
  C      -4.616509     -0.022903      0.154826
  C      -5.213797      1.072302      0.821118
  C      -3.636322     -0.291148      6.909676
  C      -4.671162     -0.014318      8.002260
  O      -5.588940      1.021868      7.565734
  C      -6.588708      0.629293      6.748127
  O      -6.805764     -0.528648      6.433864
  C      -7.418649      1.808059      6.297890
  N      -7.476628      2.838009      7.134116
  C      -8.271034      3.876964      6.773626
  N      -8.991800      3.989914      5.675764
  C      -8.910782      2.958705      4.787174
  C      -9.626740      3.053284      3.568433
  C      -9.553831      2.032676      2.646311
  C      -8.768689      0.883638      2.905532
  C      -8.060892      0.759535      4.081444
  C      -8.116998      1.791097      5.054598
  H      -3.566932      3.585948      8.459275
  H      -4.562313      2.992882      7.116828
  H      -4.007969      5.968404      7.651100
  H      -5.459648      5.029545      8.157968
  H      -8.699134      6.715846      3.279440
  H      -6.060948      6.764135     -0.476432
  H      -3.607385      6.530463     -0.902489
  H      -2.029509      6.242191      1.001314
  H      -2.876047      6.122893      3.331978
  H      -0.845579     -0.902940      4.949942
  H      -0.441391     -0.592761      3.249627
  H      -3.185226     -0.958691      4.544915
  H      -2.419831     -1.872871      3.223928
  H      -7.026210      4.039816      2.379971
  H      -7.222475      2.143803     -1.754078
  H      -6.132642      0.196551     -2.896968
  H      -4.466609     -1.183156     -1.646001
  H      -3.888161     -0.635400      0.679111
  H      -4.205190     -0.420804      5.980337
  H      -3.146768     -1.259894      7.135461
  H      -5.239139     -0.924707      8.239229
  H      -4.213511      0.390346      8.914151
  H      -8.312306      4.708265      7.484165
  H     -10.213731      3.954720      3.388869
  H     -10.084419      2.115504      1.696935
  H      -8.706616      0.097941      2.151202
  H      -7.448159     -0.118642      4.271135
  N      -2.335233      3.338295      3.794207
  N      -2.140356      3.165374      2.536372
  H      -1.854898      2.231294      2.201832
  H      -2.370973      3.902268      1.867774
99
Coordinates from ORCA-job orca E -6707.148082204186
  N      -2.737536      3.790735      6.534475
  Mo     -2.495104      2.224316      5.306574
  N      -2.665956      0.770542      6.748897
  C      -1.492110      0.602370      7.595974
  C      -0.723915      1.911916      7.717829
  N      -0.510299      2.521674      6.374361
  C      -0.324454      3.993711      6.446003
  C      -1.626791      4.632303      6.934514
  C       0.608447      1.862666      5.644288
  C       0.166937      1.696992      4.191522
  N      -1.153588      1.108231      4.185010
  H      -1.716342      5.652677      6.519765
  H      -1.616312      4.740854      8.037901
  H      -0.089855      4.329297      5.427909
  H       0.525270      4.247833      7.104261
  H       0.894869      1.078036      3.637605
  H       0.135061      2.688937      3.707958
  H       0.776276      0.874561      6.094295
  H       1.533167      2.452711      5.756723
  H      -1.774172      0.282747      8.617537
  H      -0.831412     -0.202533      7.203988
  H      -1.314415      2.617577      8.313530
  H       0.246178      1.762643      8.222486
  C      -3.873538      3.791221      7.427677
  C      -4.649677      5.107039      7.439878
  O      -5.299315      5.324620      6.165576
  C      -4.708033      6.169902      5.307572
  O      -3.684640      6.800740      5.514988
  C      -5.531056      6.320843      4.051416
  N      -6.840157      6.423862      4.222230
  C      -7.586947      6.641085      3.107503
  N      -7.158549      6.744116      1.864223
  C      -5.813259      6.606400      1.672191
  C      -5.299685      6.657621      0.352751
  C      -3.945774      6.523282      0.135874
  C      -3.055632      6.338250      1.222834
  C      -3.524803      6.273520      2.519085
  C      -4.914809      6.403296      2.769884
  C      -1.185173     -0.330386      4.043790
  C      -2.565959     -0.879198      3.671928
  O      -3.262288     -0.099001      2.670545
  C      -4.093730      0.882058      3.125438
  O      -4.029314      1.207325      4.377396
  C      -4.990732      1.509241      2.212554
  N      -5.639801      2.590168      2.741957
  C      -6.506249      3.230634      1.958784
  N      -6.834504      2.974039      0.692514
  C      -6.198773      1.899024      0.125568
  C      -6.514588      1.575618     -1.215571
  C      -5.918576      0.498689     -1.847957
  C      -4.984594     -0.288502     -1.151871
  C      -4.652822      0.006096      0.164291
  C      -5.242633      1.099166      0.841155
  C      -3.636650     -0.288750      6.938253
  C      -4.669154      0.010489      8.026364
  O      -5.582339      1.042224      7.572291
  C      -6.584275      0.635778      6.764535
  O      -6.802607     -0.528413      6.474385
  C      -7.393882      1.807241      6.264763
  N      -7.432884      2.875009      7.053008
  C      -8.211686      3.908863      6.647657
  N      -8.943901      3.977253      5.553035
  C      -8.884494      2.903510      4.713919
  C      -9.614931      2.946292      3.500785
  C      -9.552520      1.888045      2.621487
  C      -8.764851      0.750613      2.920132
  C      -8.049747      0.673064      4.095598
  C      -8.096456      1.743797      5.025995
  H      -3.564806      3.593487      8.480115
  H      -4.572021      2.990741      7.148596
  H      -4.006911      5.966805      7.669930
  H      -5.465859      5.034933      8.171244
  H      -8.664114      6.731306      3.275451
  H      -6.006455      6.793048     -0.466292
  H      -3.550914      6.559846     -0.880798
  H      -1.984007      6.253787      1.029405
  H      -2.843732      6.119822      3.354582
  H      -0.863402     -0.903955      4.944474
  H      -0.469882     -0.595824      3.241183
  H      -3.206032     -0.965720      4.552577
  H      -2.448211     -1.875437      3.224219
  H      -7.022846      4.076522      2.422316
  H      -7.245195      2.207687     -1.723271
  H      -6.172676      0.260650     -2.882553
  H      -4.513542     -1.140128     -1.646184
  H      -3.927710     -0.615192      0.682459
  H      -4.206201     -0.436636      6.011955
  H      -3.147183     -1.252659      7.182886
  H      -5.240570     -0.893147      8.280225
  H      -4.208090      0.429904      8.929828
  H      -8.232181      4.774867      7.315827
  H     -10.198076      3.842650      3.286624
  H     -10.092594      1.932335      1.675069
  H      -8.709604     -0.065715      2.198643
  H      -7.437810     -0.198146      4.317238
  N      -2.368667      3.338359      3.802934
  N      -2.174454      3.187027      2.541115
  H      -1.915553      2.251421      2.189911
  H      -2.413369      3.932080      1.883847
99
Coordinates from ORCA-job orca E -6707.148265371435
  N      -2.744156      3.792489      6.532507
  Mo     -2.504129      2.226787      5.303346
  N      -2.669034      0.767580      6.745290
  C      -1.491291      0.598558      7.586611
  C      -0.724433      1.908196      7.708446
  N      -0.517903      2.520500      6.364994
  C      -0.332633      3.992580      6.439037
  C      -1.630889      4.627604      6.938836
  C       0.599450      1.863155      5.631201
  C       0.156438      1.702279      4.178932
  N      -1.164419      1.112621      4.170276
  H      -1.718747      5.653477      6.537764
  H      -1.616772      4.721862      8.043672
  H      -0.104832      4.331453      5.420529
  H       0.521399      4.245305      7.092241
  H       0.883974      1.086293      3.621146
  H       0.122784      2.695600      3.698575
  H       0.766617      0.873721      6.078522
  H       1.525299      2.451280      5.745198
  H      -1.768651      0.276967      8.608756
  H      -0.831652     -0.205076      7.190273
  H      -1.313186      2.611065      8.309017
  H       0.248564      1.759020      8.207369
  C      -3.882337      3.800315      7.421526
  C      -4.645809      5.124112      7.440452
  O      -5.298465      5.358432      6.170871
  C      -4.706425      6.208922      5.318698
  O      -3.670641      6.820912      5.520879
  C      -5.531389      6.369661      4.064906
  N      -6.837280      6.501692      4.240195
  C      -7.583909      6.725491      3.126607
  N      -7.158916      6.807605      1.880372
  C      -5.817518      6.641791      1.684490
  C      -5.307516      6.671930      0.362828
  C      -3.957168      6.510787      0.143023
  C      -3.066229      6.319481      1.228603
  C      -3.532378      6.274740      2.526799
  C      -4.918966      6.430897      2.780644
  C      -1.191043     -0.327611      4.039513
  C      -2.571272     -0.884242      3.677857
  O      -3.274052     -0.112149      2.674429
  C      -4.101632      0.873082      3.126460
  O      -4.036759      1.200810      4.377885
  C      -4.994178      1.500681      2.209200
  N      -5.640131      2.586492      2.731006
  C      -6.496962      3.230469      1.940397
  N      -6.818533      2.971942      0.672705
  C      -6.187158      1.890682      0.113839
  C      -6.495698      1.565690     -1.228613
  C      -5.902189      0.483267     -1.853436
  C      -4.977477     -0.307457     -1.148830
  C      -4.652229     -0.010463      0.168595
  C      -5.240626      1.087472      0.838337
  C      -3.637091     -0.293641      6.940325
  C      -4.669256     -0.000240      8.030493
  O      -5.584375      1.034350      7.586458
  C      -6.588664      0.627144      6.781565
  O      -6.807183     -0.537944      6.495518
  C      -7.402236      1.794725      6.280365
  N      -7.446766      2.864542      7.066019
  C      -8.221376      3.898179      6.651128
  N      -8.946311      3.962442      5.551113
  C      -8.882273      2.885889      4.716265
  C      -9.601028      2.927198      3.496510
  C      -9.523309      1.871278      2.615583
  C      -8.731884      0.737985      2.919632
  C      -8.030934      0.660528      4.103439
  C      -8.094239      1.728627      5.036179
  H      -3.578507      3.594953      8.473900
  H      -4.588050      3.007974      7.137045
  H      -3.992296      5.975062      7.673115
  H      -5.460221      5.056857      8.173686
  H      -8.658318      6.839722      3.298004
  H      -6.014481      6.814054     -0.454964
  H      -3.565203      6.531760     -0.875246
  H      -1.996920      6.214725      1.032576
  H      -2.851827      6.116944      3.362052
  H      -0.863190     -0.893148      4.942813
  H      -0.478825     -0.595403      3.235011
  H      -3.206371     -0.964759      4.562625
  H      -2.453126     -1.882686      3.235793
  H      -7.010440      4.081401      2.398201
  H      -7.218480      2.200882     -1.743559
  H      -6.150491      0.243717     -2.889242
  H      -4.508501     -1.163514     -1.637775
  H      -3.933543     -0.633643      0.693587
  H      -4.207530     -0.446204      6.015105
  H      -3.143268     -1.254312      7.188277
  H      -5.240395     -0.906281      8.277021
  H      -4.208027      0.412430      8.937097
  H      -8.243499      4.768376      7.313324
  H     -10.181696      3.823376      3.275303
  H     -10.053628      1.914958      1.663362
  H      -8.663834     -0.076554      2.197066
  H      -7.416640     -0.208071      4.329125
  N      -2.376584      3.338296      3.798536
  N      -2.187696      3.173907      2.537382
  H      -1.928983      2.234736      2.195503
  H      -2.434136      3.911935      1.875275
99
Coordinates from ORCA-job orca E -6707.148350994998
  N      -2.726901      3.802602      6.546749
  Mo     -2.496053      2.238471      5.314966
  N      -2.659952      0.772307      6.749870
  C      -1.480328      0.597852      7.587504
  C      -0.710577      1.905464      7.713900
  N      -0.506045      2.523526      6.372719
  C      -0.315932      3.994723      6.452975
  C      -1.610894      4.630625      6.958826
  C       0.607548      1.866145      5.633210
  C       0.160061      1.711772      4.181749
  N      -1.162469      1.126014      4.174936
  H      -1.695005      5.659980      6.565864
  H      -1.595017      4.716433      8.064509
  H      -0.089240      4.337243      5.435431
  H       0.540393      4.241980      7.105296
  H       0.883865      1.095171      3.619789
  H       0.128126      2.706579      3.703970
  H       0.773355      0.874489      6.076102
  H       1.535256      2.451305      5.747107
  H      -1.755930      0.271774      8.608796
  H      -0.822737     -0.204879      7.186018
  H      -1.295934      2.606340      8.320128
  H       0.263438      1.751371      8.209345
  C      -3.867983      3.812937      7.432075
  C      -4.624144      5.141207      7.458015
  O      -5.277030      5.386673      6.190323
  C      -4.687139      6.245822      5.345254
  O      -3.649521      6.854002      5.548979
  C      -5.510213      6.411021      4.090727
  N      -6.815275      6.551655      4.265451
  C      -7.560274      6.772649      3.150010
  N      -7.135078      6.840299      1.902969
  C      -5.794568      6.666336      1.708294
  C      -5.284545      6.679741      0.386297
  C      -3.934917      6.510867      0.168306
  C      -3.044553      6.327138      1.255752
  C      -3.510943      6.296822      2.554245
  C      -4.897069      6.460987      2.806275
  C      -1.194097     -0.313492      4.037035
  C      -2.577456     -0.863157      3.676548
  O      -3.280114     -0.083613      2.678443
  C      -4.109824      0.896965      3.137696
  O      -4.034548      1.224346      4.388635
  C      -5.012887      1.519607      2.227775
  N      -5.645772      2.614357      2.746819
  C      -6.502129      3.260527      1.957752
  N      -6.838705      2.993657      0.695647
  C      -6.229757      1.896335      0.143598
  C      -6.561433      1.556437     -1.189612
  C      -5.994326      0.454894     -1.805615
  C      -5.073550     -0.340588     -1.101247
  C      -4.724851     -0.028344      0.206627
  C      -5.284406      1.090452      0.866551
  C      -3.629968     -0.286893      6.945355
  C      -4.673887      0.017689      8.020931
  O      -5.590162      1.038793      7.549229
  C      -6.575746      0.615133      6.729498
  O      -6.782605     -0.555064      6.454929
  C      -7.391693      1.771634      6.207492
  N      -7.436700      2.854271      6.975090
  C      -8.214586      3.879226      6.546021
  N      -8.946646      3.921997      5.449941
  C      -8.883503      2.831922      4.633147
  C      -9.610011      2.851159      3.417473
  C      -9.528894      1.784551      2.550102
  C      -8.727346      0.661234      2.865179
  C      -8.021893      0.603355      4.047539
  C      -8.087434      1.683507      4.966329
  H      -3.567207      3.598943      8.483728
  H      -4.578428      3.026972      7.141752
  H      -3.965175      5.986889      7.694794
  H      -5.438621      5.075143      8.191348
  H      -8.633578      6.897360      3.320452
  H      -5.990999      6.816295     -0.432865
  H      -3.542947      6.519904     -0.850114
  H      -1.975608      6.216836      1.060595
  H      -2.831510      6.142437      3.390804
  H      -0.865709     -0.884530      4.936641
  H      -0.485171     -0.579157      3.228950
  H      -3.209942     -0.944262      4.562967
  H      -2.464401     -1.860332      3.230120
  H      -7.004929      4.118515      2.413311
  H      -7.281238      2.195216     -1.704274
  H      -6.261056      0.203366     -2.833976
  H      -4.626101     -1.212022     -1.582897
  H      -4.009168     -0.655231      0.731401
  H      -4.190822     -0.450449      6.016067
  H      -3.138839     -1.244630      7.208994
  H      -5.242109     -0.887614      8.276295
  H      -4.223594      0.448491      8.924534
  H      -8.231111      4.763042      7.189991
  H     -10.197953      3.740271      3.187138
  H     -10.063956      1.812235      1.599999
  H      -8.654863     -0.161290      2.151888
  H      -7.401897     -0.258648      4.281919
  N      -2.371714      3.354102      3.810001
  N      -2.191332      3.185292      2.549464
  H      -1.922457      2.247885      2.210159
  H      -2.433126      3.923929      1.886544
99
Coordinates from ORCA-job orca E -6707.148423750789
  N      -2.730521      3.805221      6.546482
  Mo     -2.509261      2.238804      5.313402
  N      -2.665285      0.777054      6.756762
  C      -1.478796      0.604938      7.585129
  C      -0.705209      1.911420      7.699415
  N      -0.511921      2.523404      6.353399
  C      -0.319152      3.994755      6.426672
  C      -1.608403      4.632944      6.943614
  C       0.594967      1.860824      5.607980
  C       0.136072      1.698857      4.161133
  N      -1.187480      1.115186      4.168334
  H      -1.694895      5.661403      6.548911
  H      -1.579746      4.722618      8.048796
  H      -0.101604      4.333099      5.405696
  H       0.543714      4.243179      7.069849
  H       0.854479      1.077539      3.597381
  H       0.101993      2.690436      3.676914
  H       0.762868      0.871187      6.054646
  H       1.524303      2.445130      5.712117
  H      -1.745431      0.283676      8.610361
  H      -0.826056     -0.200718      7.181506
  H      -1.283401      2.615546      8.308817
  H       0.273380      1.757357      8.185630
  C      -3.860287      3.822228      7.445808
  C      -4.605154      5.157003      7.480759
  O      -5.263538      5.410983      6.217443
  C      -4.672320      6.267986      5.370681
  O      -3.631515      6.871834      5.570776
  C      -5.499205      6.439298      4.119845
  N      -6.802562      6.589958      4.299667
  C      -7.550105      6.810218      3.185676
  N      -7.129986      6.864090      1.936240
  C      -5.791184      6.681865      1.736985
  C      -5.286477      6.682388      0.412842
  C      -3.938205      6.508487      0.190784
  C      -3.044045      6.331321      1.276092
  C      -3.505450      6.311088      2.576575
  C      -4.890371      6.480656      2.832892
  C      -1.221145     -0.325260      4.040723
  C      -2.607310     -0.875301      3.691326
  O      -3.313348     -0.100526      2.692184
  C      -4.131367      0.891380      3.148374
  O      -4.053572      1.219777      4.398995
  C      -5.024785      1.521959      2.233682
  N      -5.657979      2.617744      2.750209
  C      -6.492669      3.279383      1.950671
  N      -6.807941      3.026661      0.679957
  C      -6.208616      1.921070      0.134211
  C      -6.528963      1.587364     -1.203341
  C      -5.975521      0.474732     -1.811707
  C      -5.080916     -0.339349     -1.094978
  C      -4.743399     -0.033522      0.217234
  C      -5.287797      1.097662      0.869070
  C      -3.635519     -0.278677      6.966987
  C      -4.677881      0.036140      8.041269
  O      -5.596361      1.050210      7.558933
  C      -6.575030      0.614710      6.736581
  O      -6.783013     -0.559723      6.481192
  C      -7.385308      1.763006      6.189092
  N      -7.428107      2.861552      6.933189
  C      -8.199030      3.881337      6.479326
  N      -8.932717      3.901287      5.383766
  C      -8.874192      2.792946      4.591840
  C      -9.602073      2.787307      3.377001
  C      -9.514704      1.707385      2.527155
  C      -8.706916      0.593970      2.861005
  C      -8.005771      0.557080      4.046983
  C      -8.077014      1.651962      4.947371
  H      -3.548581      3.606800      8.494017
  H      -4.579856      3.041694      7.164070
  H      -3.936047      5.995401      7.714681
  H      -5.414703      5.097905      8.219915
  H      -8.620908      6.949770      3.359796
  H      -5.995819      6.814726     -0.404494
  H      -3.550336      6.508930     -0.829218
  H      -1.976134      6.217540      1.077540
  H      -2.822923      6.161436      3.411343
  H      -0.887738     -0.890824      4.941898
  H      -0.517230     -0.596542      3.230110
  H      -3.235336     -0.950124      4.581293
  H      -2.498344     -1.875136      3.249933
  H      -6.993427      4.140387      2.403356
  H      -7.230423      2.239096     -1.727014
  H      -6.234284      0.227594     -2.843135
  H      -4.645925     -1.220480     -1.570449
  H      -4.048662     -0.675186      0.752037
  H      -4.197582     -0.455360      6.040828
  H      -3.144139     -1.232920      7.243136
  H      -5.243769     -0.867947      8.305928
  H      -4.226354      0.477019      8.939369
  H      -8.207753      4.782031      7.099347
  H     -10.192986      3.670170      3.131058
  H     -10.050696      1.716474      1.577193
  H      -8.627823     -0.239141      2.160886
  H      -7.384959     -0.299954      4.296817
  N      -2.390822      3.350402      3.808497
  N      -2.208248      3.200847      2.545539
  H      -1.956796      2.264050      2.192188
  H      -2.461353      3.945117      1.892595
99
Coordinates from ORCA-job orca E -6707.148476313626
  N      -2.732287      3.808815      6.552865
  Mo     -2.521598      2.240450      5.319935
  N      -2.667279      0.779154      6.766390
  C      -1.474549      0.607390      7.585612
  C      -0.699443      1.913100      7.692624
  N      -0.517175      2.523243      6.344218
  C      -0.322625      3.994762      6.414668
  C      -1.605765      4.632524      6.945726
  C       0.583682      1.858619      5.591346
  C       0.114716      1.697212      4.147707
  N      -1.209652      1.114495      4.162859
  H      -1.693698      5.663675      6.558397
  H      -1.567407      4.715953      8.051236
  H      -0.116142      4.332202      5.391092
  H       0.547241      4.243292      7.048249
  H       0.828742      1.075187      3.579152
  H       0.078780      2.688755      3.663848
  H       0.753044      0.868859      6.037136
  H       1.514532      2.441565      5.689647
  H      -1.733591      0.287143      8.613077
  H      -0.825517     -0.199190      7.177885
  H      -1.272326      2.617920      8.306139
  H       0.283202      1.759273      8.170566
  C      -3.859913      3.832106      7.455005
  C      -4.592128      5.173527      7.496468
  O      -5.251425      5.435602      6.235792
  C      -4.654772      6.287578      5.387860
  O      -3.610556      6.885820      5.586981
  C      -5.485057      6.466849      4.140674
  N      -6.786563      6.627174      4.326004
  C      -7.537136      6.850777      3.214605
  N      -7.122201      6.896062      1.963264
  C      -5.785345      6.705311      1.758685
  C      -5.286652      6.697737      0.432370
  C      -3.940174      6.516563      0.205224
  C      -3.042162      6.339676      1.287427
  C      -3.497953      6.326043      2.589994
  C      -4.880953      6.503126      2.851428
  C      -1.243578     -0.326478      4.039660
  C      -2.631888     -0.878845      3.702100
  O      -3.346447     -0.107945      2.706430
  C      -4.156187      0.889658      3.165324
  O      -4.070988      1.217724      4.415320
  C      -5.045664      1.527904      2.251783
  N      -5.668090      2.629862      2.767934
  C      -6.485436      3.308218      1.964121
  N      -6.789717      3.068614      0.688194
  C      -6.208547      1.952025      0.145285
  C      -6.526500      1.626400     -1.194898
  C      -5.995453      0.500995     -1.799371
  C      -5.126615     -0.334899     -1.075941
  C      -4.790375     -0.036505      0.238316
  C      -5.310936      1.108311      0.885922
  C      -3.635742     -0.275537      6.987453
  C      -4.678804      0.051357      8.058023
  O      -5.595767      1.059636      7.561068
  C      -6.569452      0.611209      6.739623
  O      -6.778149     -0.567490      6.505635
  C      -7.369246      1.750526      6.159071
  N      -7.406132      2.869502      6.871919
  C      -8.163466      3.884034      6.384576
  N      -8.891791      3.879478      5.285158
  C      -8.839644      2.748794      4.524984
  C      -9.560083      2.716281      3.306175
  C      -9.473617      1.614756      2.484488
  C      -8.675495      0.505237      2.852602
  C      -7.984234      0.493560      4.044948
  C      -8.053871      1.611645      4.916068
  H      -3.547504      3.610436      8.501814
  H      -4.587667      3.059413      7.171626
  H      -3.914458      6.005071      7.730287
  H      -5.399445      5.120678      8.238621
  H      -8.606284      6.997968      3.392543
  H      -5.999118      6.829446     -0.382350
  H      -3.556856      6.510813     -0.816492
  H      -1.975647      6.220646      1.084649
  H      -2.812278      6.176050      3.422118
  H      -0.902478     -0.889610      4.939514
  H      -0.545727     -0.599243      3.224326
  H      -3.253403     -0.953061      4.596698
  H      -2.524880     -1.879432      3.262038
  H      -6.975594      4.176294      2.415656
  H      -7.209490      2.293980     -1.723044
  H      -6.252811      0.259932     -2.832623
  H      -4.710862     -1.227184     -1.548041
  H      -4.116351     -0.695425      0.778461
  H      -4.198020     -0.463718      6.063829
  H      -3.143670     -1.226239      7.274118
  H      -5.244812     -0.849740      8.332859
  H      -4.227345      0.502848      8.950802
  H      -8.164170      4.803328      6.976417
  H     -10.142916      3.596583      3.033391
  H     -10.003032      1.603178      1.530752
  H      -8.596513     -0.346086      2.174807
  H      -7.372715     -0.361980      4.321595
  N      -2.410652      3.349204      3.812833
  N      -2.236556      3.196221      2.549021
  H      -1.995958      2.256317      2.196365
  H      -2.497484      3.938237      1.896654
99
Coordinates from ORCA-job orca E -6707.148519541961
  N      -2.738545      3.811976      6.545434
  Mo     -2.541508      2.237867      5.316073
  N      -2.673236      0.785619      6.772864
  C      -1.472279      0.616971      7.580560
  C      -0.695132      1.922280      7.672438
  N      -0.526937      2.524344      6.318589
  C      -0.330986      3.996276      6.378400
  C      -1.607093      4.636240      6.922815
  C       0.566047      1.854504      5.558702
  C       0.082543      1.684117      4.120926
  N      -1.241777      1.101760      4.153035
  H      -1.699803      5.666841      6.535209
  H      -1.554619      4.722437      8.027626
  H      -0.137423      4.327474      5.350229
  H       0.547016      4.248257      6.999277
  H       0.790761      1.057610      3.549971
  H       0.043564      2.672428      3.631069
  H       0.739823      0.867612      6.009037
  H       1.497598      2.438348      5.644232
  H      -1.721377      0.301474      8.611909
  H      -0.828176     -0.192091      7.169913
  H      -1.260817      2.631046      8.287941
  H       0.292483      1.770611      8.140632
  C      -3.854842      3.837791      7.461985
  C      -4.579662      5.182546      7.515267
  O      -5.246510      5.450743      6.260152
  C      -4.652612      6.304520      5.412541
  O      -3.609857      6.905558      5.611871
  C      -5.482884      6.482506      4.165248
  N      -6.784874      6.640424      4.349637
  C      -7.534534      6.865376      3.237651
  N      -7.118334      6.912123      1.987085
  C      -5.780935      6.723393      1.783326
  C      -5.281836      6.716377      0.457339
  C      -3.934990      6.536595      0.231084
  C      -3.037506      6.360575      1.313897
  C      -3.493917      6.346188      2.616297
  C      -4.877177      6.521890      2.876733
  C      -1.275431     -0.339949      4.041801
  C      -2.665779     -0.896712      3.719780
  O      -3.388852     -0.135303      2.724004
  C      -4.185672      0.874374      3.178895
  O      -4.096885      1.206781      4.427487
  C      -5.061554      1.522353      2.259223
  N      -5.674335      2.632006      2.769256
  C      -6.461039      3.331436      1.952738
  N      -6.735870      3.110537      0.666914
  C      -6.172420      1.980821      0.131924
  C      -6.470041      1.668614     -1.216129
  C      -5.963316      0.527144     -1.811140
  C      -5.140545     -0.339120     -1.069720
  C      -4.822330     -0.052859      0.251783
  C      -5.316124      1.109315      0.889092
  C      -3.640079     -0.266599      7.009972
  C      -4.676599      0.073055      8.083867
  O      -5.596912      1.074462      7.578165
  C      -6.570739      0.613292      6.763760
  O      -6.777045     -0.568693      6.545396
  C      -7.366360      1.743654      6.159447
  N      -7.410329      2.873278      6.854381
  C      -8.162197      3.880447      6.343222
  N      -8.876907      3.859800      5.235227
  C      -8.817080      2.717534      4.493071
  C      -9.522289      2.667151      3.266118
  C      -9.429391      1.551783      2.463892
  C      -8.640525      0.445707      2.860681
  C      -7.963860      0.451882      4.061559
  C      -8.039076      1.585042      4.912003
  H      -3.530632      3.611690      8.504332
  H      -4.589875      3.069653      7.184793
  H      -3.896555      6.010364      7.746607
  H      -5.380655      5.131718      8.264547
  H      -8.604049      7.011229      3.414339
  H      -5.994415      6.845622     -0.357640
  H      -3.551230      6.530451     -0.790482
  H      -1.970833      6.242480      1.111559
  H      -2.807879      6.196689      3.448218
  H      -0.925994     -0.896350      4.942758
  H      -0.584290     -0.618570      3.222714
  H      -3.280847     -0.966055      4.619333
  H      -2.560394     -1.900318      3.286268
  H      -6.946963      4.203782      2.400407
  H      -7.120257      2.358326     -1.757060
  H      -6.205310      0.296290     -2.850420
  H      -4.746423     -1.245467     -1.533475
  H      -4.184251     -0.735760      0.805699
  H      -4.209263     -0.463551      6.092465
  H      -3.146673     -1.215096      7.301164
  H      -5.240087     -0.824583      8.374575
  H      -4.219510      0.536690      8.967386
  H      -8.170615      4.808331      6.921045
  H     -10.100113      3.544024      2.972408
  H      -9.946571      1.526344      1.503670
  H      -8.556945     -0.417635      2.198917
  H      -7.359861     -0.401529      4.360291
  N      -2.438900      3.339004      3.804489
  N      -2.270406      3.190133      2.539156
  H      -2.043099      2.249301      2.180518
  H      -2.541896      3.932260      1.891123
99
Coordinates from ORCA-job orca E -6707.148553075974
  N      -2.744323      3.816439      6.538619
  Mo     -2.565035      2.234424      5.313742
  N      -2.679234      0.794036      6.783820
  C      -1.468688      0.629401      7.577907
  C      -0.688170      1.933608      7.649184
  N      -0.537926      2.524399      6.288333
  C      -0.339377      3.996536      6.333774
  C      -1.605890      4.641033      6.894668
  C       0.544008      1.846674      5.519434
  C       0.041919      1.666093      4.089246
  N      -1.282425      1.085154      4.142559
  H      -1.703945      5.670052      6.504599
  H      -1.535665      4.732383      7.998117
  H      -0.163165      4.319226      5.299747
  H       0.549341      4.252425      6.937575
  H       0.742652      1.034160      3.514925
  H      -0.001121      2.650762      3.592764
  H       0.722129      0.863164      5.975372
  H       1.477154      2.430171      5.588397
  H      -1.705759      0.321709      8.614394
  H      -0.831369     -0.183910      7.165086
  H      -1.244005      2.648403      8.266570
  H       0.305657      1.784072      8.104570
  C      -3.845080      3.846067      7.474260
  C      -4.561453      5.194788      7.542202
  O      -5.239363      5.471299      6.294857
  C      -4.649785      6.325780      5.445242
  O      -3.605278      6.925921      5.639502
  C      -5.483903      6.502477      4.200554
  N      -6.785365      6.660240      4.388046
  C      -7.537740      6.885763      3.277926
  N      -7.123881      6.934825      2.026787
  C      -5.787038      6.744879      1.819571
  C      -5.291710      6.737337      0.492300
  C      -3.945924      6.553506      0.262469
  C      -3.046221      6.374258      1.342868
  C      -3.499045      6.361306      2.646616
  C      -4.880979      6.541153      2.910629
  C      -1.316631     -0.357446      4.046455
  C      -2.709637     -0.919191      3.744628
  O      -3.444458     -0.168966      2.750160
  C      -4.223510      0.855858      3.201576
  O      -4.129330      1.192046      4.448534
  C      -5.085021      1.514841      2.276131
  N      -5.692120      2.628971      2.782109
  C      -6.445812      3.350110      1.953195
  N      -6.683751      3.151853      0.656392
  C      -6.135253      2.011770      0.127257
  C      -6.405218      1.716798     -1.230447
  C      -5.920912      0.561727     -1.817791
  C      -5.149864     -0.336173     -1.058498
  C      -4.856507     -0.065685      0.272081
  C      -5.324820      1.111388      0.900722
  C      -3.643099     -0.256786      7.038460
  C      -4.676880      0.098655      8.110513
  O      -5.597820      1.091816      7.589162
  C      -6.570680      0.616870      6.781213
  O      -6.783865     -0.568669      6.591157
  C      -7.355509      1.737524      6.145019
  N      -7.398170      2.883175      6.812733
  C      -8.133018      3.885318      6.267560
  N      -8.828825      3.846596      5.147991
  C      -8.770251      2.686388      4.433841
  C      -9.454077      2.615599      3.195936
  C      -9.363670      1.479225      2.423245
  C      -8.598866      0.372249      2.861505
  C      -7.941951      0.399461      4.073250
  C      -8.013898      1.555052      4.893017
  H      -3.505430      3.615408      8.510804
  H      -4.588777      3.083296      7.206220
  H      -3.872538      6.018572      7.770480
  H      -5.354371      5.145380      8.300279
  H      -8.606819      7.031842      3.457262
  H      -6.006237      6.867753     -0.320734
  H      -3.565001      6.545896     -0.760150
  H      -1.980694      6.251498      1.137734
  H      -2.810542      6.210870      3.476294
  H      -0.956586     -0.905190      4.948659
  H      -0.634111     -0.643957      3.222812
  H      -3.315916     -0.984051      4.650614
  H      -2.606287     -1.926065      3.318168
  H      -6.932423      4.223322      2.398447
  H      -7.019096      2.429317     -1.784107
  H      -6.142033      0.343937     -2.864517
  H      -4.776575     -1.254718     -1.515453
  H      -4.258614     -0.773231      0.839979
  H      -4.216380     -0.466632      6.126348
  H      -3.147502     -1.200939      7.338942
  H      -5.239500     -0.793585      8.418735
  H      -4.217105      0.577715      8.984344
  H      -8.143013      4.825550      6.824743
  H     -10.014401      3.492725      2.870737
  H      -9.864484      1.437219      1.454951
  H      -8.519024     -0.509962      2.224670
  H      -7.357179     -0.455332      4.404364
  N      -2.473444      3.326691      3.797846
  N      -2.310426      3.188210      2.529861
  H      -2.102758      2.247359      2.160331
  H      -2.598023      3.932016      1.890365
99
Coordinates from ORCA-job orca E -6707.148582879337
  N      -2.749814      3.822374      6.531404
  Mo     -2.587728      2.231607      5.312548
  N      -2.683251      0.802365      6.795148
  C      -1.462871      0.640689      7.574684
  C      -0.679285      1.943647      7.626187
  N      -0.548182      2.524804      6.259388
  C      -0.347624      3.996978      6.291859
  C      -1.604643      4.646071      6.868403
  C       0.522476      1.840027      5.480859
  C       0.001802      1.650567      4.058550
  N      -1.322271      1.071216      4.132682
  H      -1.706660      5.673821      6.476242
  H      -1.518329      4.741509      7.970378
  H      -0.188483      4.312091      5.252699
  H       0.551320      4.256144      6.878917
  H       0.694979      1.013973      3.480114
  H      -0.045858      2.632118      3.556480
  H       0.704892      0.859454      5.941384
  H       1.457228      2.422657      5.533471
  H      -1.687590      0.340663      8.616155
  H      -0.832830     -0.176914      7.159287
  H      -1.224714      2.663520      8.246846
  H       0.320973      1.795453      8.067597
  C      -3.837134      3.856174      7.482706
  C      -4.543879      5.209643      7.564581
  O      -5.229512      5.498444      6.324002
  C      -4.641673      6.355969      5.476281
  O      -3.595711      6.954063      5.669950
  C      -5.476559      6.535843      4.232702
  N      -6.777401      6.696891      4.420381
  C      -7.529427      6.924072      3.310264
  N      -7.115013      6.974109      2.059359
  C      -5.778886      6.779355      1.851793
  C      -5.284060      6.769340      0.524391
  C      -3.939572      6.576086      0.294104
  C      -3.040818      6.390378      1.374087
  C      -3.493200      6.381493      2.678110
  C      -4.873727      6.570804      2.942559
  C      -1.357578     -0.372023      4.048862
  C      -2.752968     -0.937458      3.764439
  O      -3.498758     -0.194485      2.773761
  C      -4.262312      0.841766      3.225322
  O      -4.161190      1.178976      4.471216
  C      -5.109992      1.514035      2.296613
  N      -5.704421      2.635853      2.799884
  C      -6.420862      3.382291      1.960375
  N      -6.624264      3.206636      0.654438
  C      -6.100542      2.052613      0.130231
  C      -6.347664      1.774511     -1.235342
  C      -5.896364      0.602627     -1.815866
  C      -5.183369     -0.329735     -1.041395
  C      -4.910046     -0.075011      0.296484
  C      -5.341303      1.120145      0.917282
  C      -3.645786     -0.244631      7.071765
  C      -4.677110      0.131511      8.139231
  O      -5.602340      1.109054      7.596915
  C      -6.572003      0.613154      6.797550
  O      -6.786014     -0.577026      6.639675
  C      -7.348842      1.717576      6.124850
  N      -7.389201      2.882228      6.758438
  C      -8.109035      3.874425      6.176302
  N      -8.790110      3.809548      5.048793
  C      -8.735267      2.627847      4.370443
  C      -9.400226      2.529322      3.124269
  C      -9.308075      1.371724      2.383909
  C      -8.562395      0.269816      2.865130
  C      -7.925020      0.323888      4.086565
  C      -7.995845      1.503398      4.871831
  H      -3.485427      3.619711      8.514036
  H      -4.589701      3.099878      7.221344
  H      -3.848775      6.028154      7.792917
  H      -5.331101      5.161090      8.328711
  H      -8.598387      7.070164      3.489377
  H      -5.997897      6.904040     -0.288480
  H      -3.559058      6.565612     -0.728628
  H      -1.976481      6.258191      1.168815
  H      -2.805092      6.227522      3.507303
  H      -0.988195     -0.912782      4.951591
  H      -0.683046     -0.665060      3.220875
  H      -3.350739     -1.000705      4.676186
  H      -2.651527     -1.946229      3.341797
  H      -6.901614      4.259788      2.403359
  H      -6.920283      2.512369     -1.799914
  H      -6.100289      0.397722     -2.868659
  H      -4.839736     -1.262654     -1.492252
  H      -4.357049     -0.809070      0.876245
  H      -4.222360     -0.471959      6.165841
  H      -3.148555     -1.182595      7.387270
  H      -5.236518     -0.753955      8.471399
  H      -4.215453      0.633586      8.999076
  H      -8.115595      4.830779      6.705127
  H      -9.945587      3.402813      2.765569
  H      -9.793262      1.308315      1.408734
  H      -8.482931     -0.631360      2.255259
  H      -7.356531     -0.527900      4.451904
  N      -2.508532      3.316205      3.792625
  N      -2.351457      3.187963      2.522566
  H      -2.156651      2.248676      2.143233
  H      -2.654949      3.932921      1.891618
99
Coordinates from ORCA-job orca E -6707.148608854090
  N      -2.749398      3.827599      6.524351
  Mo     -2.602266      2.227323      5.313431
  N      -2.685397      0.809007      6.807860
  C      -1.458515      0.648535      7.577477
  C      -0.670447      1.949078      7.611289
  N      -0.553333      2.520053      6.239058
  C      -0.348885      3.991869      6.259241
  C      -1.597434      4.648454      6.845857
  C       0.506980      1.826106      5.454326
  C      -0.027493      1.629777      4.038091
  N      -1.352776      1.055310      4.127603
  H      -1.699511      5.674519      6.449353
  H      -1.499789      4.748834      7.946384
  H      -0.202283      4.299464      5.215969
  H       0.558095      4.252646      6.833083
  H       0.658718      0.987914      3.457141
  H      -0.076664      2.608834      3.531369
  H       0.689382      0.847712      5.919515
  H       1.444787      2.404850      5.493979
  H      -1.674987      0.357819      8.623341
  H      -0.835660     -0.174827      7.162767
  H      -1.206728      2.674811      8.233064
  H       0.334455      1.800911      8.042010
  C      -3.826718      3.867240      7.486380
  C      -4.528604      5.223442      7.574361
  O      -5.220982      5.518795      6.338649
  C      -4.634809      6.376545      5.489741
  O      -3.587309      6.972728      5.680909
  C      -5.472909      6.559603      4.248816
  N      -6.772580      6.726215      4.438642
  C      -7.525384      6.957790      3.329922
  N      -7.111906      7.012457      2.078766
  C      -5.777224      6.810988      1.868835
  C      -5.283849      6.802716      0.540855
  C      -3.941636      6.596555      0.307921
  C      -3.043512      6.396966      1.385733
  C      -3.494220      6.389374      2.690405
  C      -4.872354      6.591608      2.957572
  C      -1.393183     -0.388431      4.054462
  C      -2.791657     -0.953404      3.781922
  O      -3.544094     -0.213104      2.794775
  C      -4.291833      0.833250      3.248778
  O      -4.184975      1.166784      4.494811
  C      -5.126194      1.522479      2.320332
  N      -5.710493      2.647146      2.828696
  C      -6.400931      3.415476      1.987350
  N      -6.582499      3.261095      0.675482
  C      -6.076060      2.101301      0.147070
  C      -6.308279      1.841559     -1.224719
  C      -5.879198      0.662527     -1.808114
  C      -5.205061     -0.295805     -1.030379
  C      -4.945469     -0.059226      0.313335
  C      -5.351609      1.143545      0.936431
  C      -3.648639     -0.233093      7.103552
  C      -4.679759      0.162274      8.163835
  O      -5.606866      1.126449      7.602056
  C      -6.574309      0.612100      6.811453
  O      -6.788779     -0.581832      6.683631
  C      -7.344704      1.699606      6.105675
  N      -7.384013      2.881723      6.706064
  C      -8.091659      3.861968      6.089430
  N      -8.760235      3.769854      4.956079
  C      -8.708419      2.568494      4.313298
  C      -9.357615      2.440958      3.061324
  C      -9.261921      1.264210      2.352280
  C      -8.532215      0.170096      2.873806
  C      -7.911844      0.252012      4.102470
  C      -7.982701      1.453568      4.854016
  H      -3.466712      3.630613      8.514842
  H      -4.585163      3.114163      7.232095
  H      -3.830428      6.039682      7.801350
  H      -5.312030      5.175079      8.342237
  H      -8.593824      7.104468      3.510488
  H      -5.996943      6.947851     -0.270793
  H      -3.562424      6.586276     -0.715273
  H      -1.981125      6.251955      1.178994
  H      -2.806639      6.226419      3.518211
  H      -1.019510     -0.923604      4.958748
  H      -0.724541     -0.689330      3.224464
  H      -3.383359     -1.015367      4.697896
  H      -2.693654     -1.963384      3.361188
  H      -6.879780      4.291558      2.435126
  H      -6.853275      2.598375     -1.791555
  H      -6.071665      0.471917     -2.865696
  H      -4.881551     -1.234797     -1.483239
  H      -4.422256     -0.812881      0.895905
  H      -4.225603     -0.477283      6.202048
  H      -3.150608     -1.164586      7.435511
  H      -5.238236     -0.716075      8.515489
  H      -4.217984      0.683711      9.012096
  H      -8.096189      4.832793      6.591099
  H      -9.890461      3.308687      2.671252
  H      -9.733695      1.178427      1.372041
  H      -8.452208     -0.748275      2.290145
  H      -7.356770     -0.594249      4.500069
  N      -2.529973      3.304540      3.790085
  N      -2.375812      3.184536      2.518618
  H      -2.194047      2.245958      2.132104
  H      -2.689889      3.930926      1.894559
99
Coordinates from ORCA-job orca E -6707.148630587762
  N      -2.742056      3.826655      6.523931
  Mo     -2.587402      2.226120      5.315187
  N      -2.680163      0.805471      6.806608
  C      -1.458786      0.642859      7.584673
  C      -0.670338      1.943219      7.625345
  N      -0.544011      2.516485      6.254995
  C      -0.338963      3.987989      6.279405
  C      -1.592105      4.646264      6.855067
  C       0.520315      1.823025      5.475447
  C      -0.005010      1.629793      4.055347
  N      -1.331731      1.057579      4.135097
  H      -1.688661      5.671700      6.455244
  H      -1.505303      4.747277      7.956303
  H      -0.182960      4.297827      5.238183
  H       0.563084      4.246832      6.861820
  H       0.684054      0.988815      3.476916
  H      -0.050839      2.610156      3.550571
  H       0.698050      0.843377      5.939892
  H       1.459195      2.399564      5.521576
  H      -1.682609      0.352445      8.629101
  H      -0.833858     -0.180919      7.174017
  H      -1.210550      2.668041      8.244875
  H       0.331681      1.793769      8.062468
  C      -3.827592      3.865177      7.475732
  C      -4.539658      5.216993      7.551500
  O      -5.227295      5.504600      6.310829
  C      -4.638841      6.360855      5.461520
  O      -3.591751      6.956681      5.654621
  C      -5.475274      6.545791      4.219504
  N      -6.775073      6.714121      4.406748
  C      -7.524982      6.950729      3.297219
  N      -7.108378      7.013199      2.047213
  C      -5.773895      6.809428      1.839743
  C      -5.276106      6.809567      0.513254
  C      -3.934336      6.598506      0.282485
  C      -3.040254      6.386042      1.361098
  C      -3.494813      6.372563      2.664321
  C      -4.872637      6.579939      2.929375
  C      -1.376455     -0.386070      4.057380
  C      -2.775090     -0.946285      3.773608
  O      -3.520248     -0.198446      2.785555
  C      -4.272531      0.842579      3.243772
  O      -4.168720      1.169578      4.491772
  C      -5.111550      1.534424      2.321426
  N      -5.695185      2.655486      2.839320
  C      -6.407997      3.416447      2.010421
  N      -6.618103      3.255475      0.703699
  C      -6.102722      2.104823      0.164542
  C      -6.353890      1.843520     -1.203606
  C      -5.909164      0.675784     -1.798250
  C      -5.199332     -0.269169     -1.036137
  C      -4.923321     -0.032079      0.304038
  C      -5.347226      1.158593      0.938785
  C      -3.646153     -0.236837      7.096506
  C      -4.680264      0.152582      8.154940
  O      -5.606710      1.119984      7.598440
  C      -6.575885      0.608690      6.808048
  O      -6.785305     -0.585514      6.672295
  C      -7.355653      1.696834      6.114752
  N      -7.400173      2.874377      6.724606
  C      -8.118985      3.853799      6.119538
  N      -8.792807      3.765351      4.988781
  C      -8.735423      2.569497      4.336810
  C      -9.389699      2.447003      3.086608
  C      -9.287579      1.277117      2.367309
  C      -8.547494      0.184159      2.876964
  C      -7.921532      0.260966      4.102889
  C      -7.998682      1.455898      4.865012
  H      -3.475803      3.636298      8.508636
  H      -4.579262      3.105811      7.218959
  H      -3.848110      6.038637      7.779378
  H      -5.328463      5.165341      8.313392
  H      -8.593873      7.096046      3.475810
  H      -5.985510      6.965475     -0.299639
  H      -3.551972      6.594456     -0.739566
  H      -1.978008      6.236274      1.156718
  H      -2.811140      6.200068      3.493504
  H      -1.011474     -0.923777      4.963542
  H      -0.702920     -0.687105      3.231466
  H      -3.371556     -1.010073      4.686448
  H      -2.677667     -1.954709      3.349093
  H      -6.886605      4.287985      2.467182
  H      -6.923647      2.590374     -1.759206
  H      -6.115570      0.484359     -2.853030
  H      -4.861302     -1.198425     -1.498258
  H      -4.371982     -0.774798      0.874665
  H      -4.219017     -0.478573      6.191584
  H      -3.148162     -1.168430      7.428367
  H      -5.240458     -0.727671      8.499039
  H      -4.221312      0.668353      9.008289
  H      -8.127525      4.820588      6.629154
  H      -9.930068      3.314059      2.705522
  H      -9.763307      1.195375      1.388598
  H      -8.462743     -0.728383      2.284773
  H      -7.356960     -0.583375      4.491331
  N      -2.507990      3.306104      3.792941
  N      -2.348815      3.181852      2.522848
  H      -2.159138      2.242933      2.140660
  H      -2.650624      3.929131      1.894110
99
Coordinates from ORCA-job orca E -6707.148659178351
  N      -2.749097      3.827361      6.520927
  Mo     -2.599425      2.225069      5.313783
  N      -2.682580      0.808034      6.810144
  C      -1.457859      0.649581      7.583776
  C      -0.670223      1.950551      7.615610
  N      -0.551642      2.518316      6.242424
  C      -0.347436      3.990049      6.261075
  C      -1.597697      4.648681      6.842737
  C       0.508773      1.822116      5.460059
  C      -0.023390      1.622779      4.043420
  N      -1.349920      1.051159      4.131865
  H      -1.697235      5.673180      6.441345
  H      -1.503948      4.752508      7.943178
  H      -0.196947      4.297138      5.218201
  H       0.557570      4.251159      6.837906
  H       0.662717      0.979200      3.464378
  H      -0.071155      2.600793      3.534379
  H       0.688966      0.844360      5.927503
  H       1.447841      2.398884      5.499412
  H      -1.677079      0.363144      8.630232
  H      -0.833998     -0.175378      7.173779
  H      -1.207641      2.677253      8.235337
  H       0.334279      1.803674      8.047808
  C      -3.828075      3.865750      7.479982
  C      -4.538733      5.217928      7.560408
  O      -5.227822      5.508422      6.321442
  C      -4.638315      6.365199      5.473679
  O      -3.590237      6.959203      5.667229
  C      -5.473457      6.552925      4.231359
  N      -6.773319      6.722761      4.417608
  C      -7.521525      6.962986      3.307556
  N      -7.103661      7.026262      2.058106
  C      -5.769199      6.821223      1.851628
  C      -5.269928      6.823285      0.525737
  C      -3.928147      6.612006      0.296215
  C      -3.035323      6.396403      1.375404
  C      -3.491416      6.380313      2.678009
  C      -4.869281      6.589029      2.941872
  C      -1.394895     -0.392855      4.062513
  C      -2.794975     -0.954376      3.786077
  O      -3.543669     -0.209462      2.798112
  C      -4.289019      0.837318      3.254031
  O      -4.184131      1.164453      4.502327
  C      -5.121359      1.534888      2.329530
  N      -5.696693      2.661394      2.844653
  C      -6.398667      3.429237      2.012586
  N      -6.603898      3.270684      0.704915
  C      -6.098289      2.114591      0.168312
  C      -6.346799      1.855448     -1.200715
  C      -5.911747      0.683181     -1.793215
  C      -5.214145     -0.268502     -1.028262
  C      -4.940491     -0.033650      0.312955
  C      -5.355414      1.161057      0.945938
  C      -3.644504     -0.235649      7.107074
  C      -4.677939      0.159399      8.163949
  O      -5.603665      1.123631      7.600049
  C      -6.572049      0.607803      6.811895
  O      -6.785681     -0.586793      6.686897
  C      -7.344819      1.692088      6.105214
  N      -7.388982      2.874897      6.704670
  C      -8.100739      3.851291      6.086474
  N      -8.768697      3.754791      4.952820
  C      -8.710452      2.553436      4.310960
  C      -9.358693      2.421299      3.058521
  C      -9.256300      1.244450      2.350746
  C      -8.521124      0.154438      2.873822
  C      -7.901591      0.240719      4.102358
  C      -7.980708      1.442239      4.853597
  H      -3.469782      3.637572      8.510873
  H      -4.581805      3.106630      7.228319
  H      -3.845032      6.037874      7.788039
  H      -5.326186      5.165890      8.323905
  H      -8.590277      7.111450      3.485248
  H      -5.978429      6.980800     -0.287684
  H      -3.544684      6.609606     -0.725455
  H      -1.972904      6.247057      1.171842
  H      -2.808738      6.204480      3.507487
  H      -1.027402     -0.925530      4.970559
  H      -0.724330     -0.698557      3.235999
  H      -3.387898     -1.014441      4.701459
  H      -2.699399     -1.964019      3.364442
  H      -6.869755      4.306052      2.467171
  H      -6.906882      2.607691     -1.758842
  H      -6.116259      0.493402     -2.848735
  H      -4.883656     -1.201291     -1.488956
  H      -4.399034     -0.781729      0.885846
  H      -4.217055     -0.485342      6.204257
  H      -3.143599     -1.163650      7.444671
  H      -5.237712     -0.719149      8.513337
  H      -4.219015      0.680419      9.014092
  H      -8.108918      4.822681      6.587123
  H      -9.895261      3.286062      2.667045
  H      -9.727401      1.155020      1.370577
  H      -8.434918     -0.763269      2.289830
  H      -7.341019     -0.601459      4.501057
  N      -2.523493      3.301485      3.789895
  N      -2.365988      3.180169      2.519137
  H      -2.184309      2.240934      2.133447
  H      -2.667878      3.929716      1.893065
99
Coordinates from ORCA-job orca E -6707.148671639189
  N      -2.751473      3.827236      6.515547
  Mo     -2.606337      2.221455      5.312682
  N      -2.685464      0.809428      6.814705
  C      -1.458869      0.653673      7.585855
  C      -0.670410      1.954161      7.610248
  N      -0.555805      2.516223      6.234326
  C      -0.350713      3.988013      6.247507
  C      -1.598605      4.648249      6.832370
  C       0.502033      1.816326      5.451800
  C      -0.034173      1.611816      4.037445
  N      -1.361355      1.042120      4.131311
  H      -1.698568      5.672446      6.430445
  H      -1.500682      4.753646      7.932338
  H      -0.203307      4.291915      5.203249
  H       0.556212      4.250639      6.820719
  H       0.649496      0.965075      3.459041
  H      -0.081745      2.587719      3.524545
  H       0.683148      0.840249      5.922430
  H       1.441488      2.392755      5.486581
  H      -1.675457      0.371589      8.634014
  H      -0.836326     -0.173372      7.177887
  H      -1.205710      2.683411      8.228743
  H       0.335364      1.808888      8.039995
  C      -3.826865      3.867126      7.478503
  C      -4.535315      5.220139      7.561802
  O      -5.226640      5.510653      6.324249
  C      -4.637674      6.365964      5.474738
  O      -3.589622      6.960793      5.666206
  C      -5.474466      6.553976      4.233864
  N      -6.774166      6.724737      4.421921
  C      -7.523020      6.967394      3.312734
  N      -7.106765      7.029363      2.062771
  C      -5.772744      6.822673      1.854472
  C      -5.275232      6.823197      0.527984
  C      -3.933836      6.611525      0.296959
  C      -3.039770      6.395970      1.375234
  C      -3.494209      6.380513      2.678345
  C      -4.871620      6.590449      2.943732
  C      -1.408530     -0.402034      4.066231
  C      -2.809572     -0.962575      3.790633
  O      -3.558845     -0.216834      2.803726
  C      -4.298016      0.834119      3.259852
  O      -4.193156      1.157712      4.509520
  C      -5.123639      1.539265      2.334883
  N      -5.698331      2.664419      2.853001
  C      -6.395255      3.438185      2.021875
  N      -6.595296      3.287205      0.712667
  C      -6.090626      2.132364      0.172476
  C      -6.336162      1.879725     -1.198277
  C      -5.902101      0.709280     -1.794783
  C      -5.208513     -0.247294     -1.032358
  C      -4.938293     -0.019259      0.310802
  C      -5.353011      1.173186      0.948218
  C      -3.647006     -0.232266      7.119216
  C      -4.678017      0.168205      8.176677
  O      -5.604175      1.130416      7.608843
  C      -6.573141      0.610578      6.823877
  O      -6.789163     -0.584317      6.706864
  C      -7.343042      1.690991      6.107708
  N      -7.392141      2.876634      6.701004
  C      -8.100880      3.849212      6.072985
  N      -8.760990      3.746530      4.935407
  C      -8.696925      2.542359      4.299413
  C      -9.336494      2.403055      3.043177
  C      -9.230728      1.221484      2.343821
  C      -8.499641      0.134323      2.878493
  C      -7.887664      0.228144      4.110365
  C      -7.971062      1.434185      4.853365
  H      -3.464945      3.638944      8.508183
  H      -4.582469      3.108879      7.230035
  H      -3.839175      6.038535      7.787399
  H      -5.320439      5.169305      8.327656
  H      -8.591313      7.118757      3.491659
  H      -5.984869      6.979933     -0.284633
  H      -3.551727      6.608232     -0.725236
  H      -1.977669      6.246627      1.170269
  H      -2.810485      6.203933      3.506840
  H      -1.042187     -0.932762      4.975807
  H      -0.738351     -0.710798      3.240576
  H      -3.401659     -1.022381      4.706367
  H      -2.715229     -1.971832      3.368110
  H      -6.864610      4.314595      2.478951
  H      -6.893248      2.635480     -1.754631
  H      -6.104487      0.524540     -2.851594
  H      -4.878595     -1.178630     -1.496552
  H      -4.400867     -0.771464      0.881895
  H      -4.221289     -0.487531      6.219268
  H      -3.145497     -1.158685      7.460655
  H      -5.237132     -0.709139      8.530199
  H      -4.217501      0.692176      9.024037
  H      -8.114928      4.822815      6.569010
  H      -9.870967      3.265377      2.643595
  H      -9.696123      1.125963      1.361642
  H      -8.410283     -0.786859      2.300610
  H      -7.330787     -0.612280      4.517749
  N      -2.530078      3.293611      3.785824
  N      -2.372260      3.173136      2.515037
  H      -2.193419      2.233856      2.128180
  H      -2.672506      3.923840      1.889485
99
Coordinates from ORCA-job orca E -6707.148678985980
  N      -2.753949      3.827770      6.512740
  Mo     -2.610097      2.221408      5.310859
  N      -2.685862      0.809889      6.814000
  C      -1.458126      0.655262      7.583401
  C      -0.670209      1.956014      7.605728
  N      -0.558098      2.517215      6.229391
  C      -0.353499      3.989119      6.241763
  C      -1.600908      4.648991      6.828309
  C       0.498845      1.817103      5.445965
  C      -0.039572      1.610270      4.032840
  N      -1.366709      1.040802      4.129767
  H      -1.701475      5.673353      6.426979
  H      -1.501465      4.754336      7.928160
  H      -0.207165      4.292846      5.197312
  H       0.553873      4.252274      6.814043
  H       0.643056      0.962371      3.454514
  H      -0.087604      2.585225      3.518255
  H       0.681573      0.841733      5.917461
  H       1.437936      2.394282      5.478492
  H      -1.673147      0.373948      8.632101
  H      -0.835699     -0.171933      7.175408
  H      -1.204852      2.685324      8.224666
  H       0.336341      1.811667      8.033975
  C      -3.828746      3.866437      7.476630
  C      -4.537747      5.219262      7.561317
  O      -5.228804      5.510774      6.323892
  C      -4.639511      6.368049      5.476729
  O      -3.592511      6.964027      5.670826
  C      -5.472914      6.556463      4.233776
  N      -6.773196      6.727183      4.418430
  C      -7.518689      6.971461      3.307287
  N      -7.098961      7.033963      2.058591
  C      -5.764516      6.826597      1.853726
  C      -5.263586      6.826771      0.528562
  C      -3.921697      6.614588      0.301099
  C      -3.030526      6.398722      1.381800
  C      -3.488359      6.383442      2.683685
  C      -4.866419      6.593801      2.945349
  C      -1.414400     -0.403461      4.067765
  C      -2.816079     -0.964040      3.793437
  O      -3.565851     -0.218371      2.806763
  C      -4.302217      0.834802      3.262022
  O      -4.198319      1.157262      4.512423
  C      -5.124790      1.542559      2.336485
  N      -5.696967      2.668923      2.854473
  C      -6.392714      3.444033      2.023359
  N      -6.594680      3.292604      0.714639
  C      -6.091297      2.137269      0.174185
  C      -6.337648      1.885032     -1.196502
  C      -5.903175      0.715229     -1.793839
  C      -5.208030     -0.241005     -1.032447
  C      -4.937322     -0.013506      0.310759
  C      -5.353344      1.177869      0.949258
  C      -3.646154     -0.231830      7.122007
  C      -4.676289      0.170851      8.179531
  O      -5.603549      1.131037      7.610062
  C      -6.573873      0.608504      6.828840
  O      -6.791126     -0.586557      6.716753
  C      -7.343717      1.686782      6.109578
  N      -7.392579      2.874019      6.699565
  C      -8.101721      3.844567      6.069097
  N      -8.762384      3.738449      4.932081
  C      -8.697840      2.532589      4.299045
  C      -9.336243      2.389681      3.042549
  C      -9.229113      1.206414      2.346265
  C      -8.497618      0.121101      2.884060
  C      -7.886475      0.218589      4.116116
  C      -7.971261      1.426416      4.855808
  H      -3.466072      3.637819      8.506033
  H      -4.584097      3.107894      7.228385
  H      -3.841466      6.037319      7.787667
  H      -5.322957      5.167523      8.327087
  H      -8.587324      7.123937      3.483268
  H      -5.971167      6.983317     -0.285898
  H      -3.536962      6.611027     -0.720108
  H      -1.967915      6.249375      1.179475
  H      -2.806843      6.206239      3.513864
  H      -1.048611     -0.932159      4.978702
  H      -0.744376     -0.714371      3.242859
  H      -3.407495     -1.023113      4.709683
  H      -2.722442     -1.973290      3.370875
  H      -6.860096      4.321433      2.480561
  H      -6.895266      2.640786     -1.752317
  H      -6.106214      0.530815     -2.850560
  H      -4.877015     -1.171539     -1.497544
  H      -4.398946     -0.765580      0.881121
  H      -4.220791     -0.490689      6.223283
  H      -3.143630     -1.156918      7.465550
  H      -5.234405     -0.706127      8.535556
  H      -4.215214      0.697007      9.025155
  H      -8.115562      4.819636      6.562259
  H      -9.871020      3.250677      2.640523
  H      -9.693823      1.108099      1.364150
  H      -8.407553     -0.801426      2.308425
  H      -7.329399     -0.620588      4.525765
  N      -2.533939      3.293217      3.783304
  N      -2.375911      3.173416      2.512548
  H      -2.197864      2.234440      2.124500
  H      -2.670565      3.926506      1.887228
99
Coordinates from ORCA-job orca E -6707.148682611735
  N      -2.753125      3.827364      6.511698
  Mo     -2.609305      2.220204      5.311171
  N      -2.685508      0.808679      6.814386
  C      -1.457673      0.653841      7.583478
  C      -0.669885      1.954618      7.606436
  N      -0.557433      2.516456      6.230341
  C      -0.352750      3.988392      6.243278
  C      -1.600473      4.648139      6.829197
  C       0.499914      1.816672      5.447111
  C      -0.038376      1.609177      4.034027
  N      -1.365585      1.039903      4.131145
  H      -1.700519      5.672893      6.428644
  H      -1.502012      4.752678      7.929212
  H      -0.206015      4.292333      5.198962
  H       0.554242      4.251462      6.816182
  H       0.644210      0.960766      3.456218
  H      -0.086251      2.583849      3.518936
  H       0.683378      0.841554      5.918853
  H       1.438601      2.394508      5.479392
  H      -1.672476      0.372070      8.632134
  H      -0.835047     -0.173151      7.175278
  H      -1.204853      2.683596      8.225498
  H       0.336554      1.810291      8.034965
  C      -3.829785      3.866223      7.473611
  C      -4.538298      5.219353      7.557387
  O      -5.228783      5.510694      6.319539
  C      -4.639513      6.368197      5.472610
  O      -3.592496      6.964202      5.666820
  C      -5.472985      6.557212      4.229880
  N      -6.773116      6.728537      4.415137
  C      -7.518989      6.972892      3.304308
  N      -7.099855      7.034073      2.055344
  C      -5.765708      6.825443      1.849873
  C      -5.265697      6.823421      0.524356
  C      -3.924013      6.610271      0.296295
  C      -3.032237      6.396028      1.376813
  C      -3.489168      6.382748      2.679043
  C      -4.867076      6.593546      2.941221
  C      -1.413922     -0.404384      4.069521
  C      -2.815699     -0.964366      3.793968
  O      -3.564954     -0.217983      2.807555
  C      -4.301260      0.835099      3.263071
  O      -4.197921      1.156433      4.513954
  C      -5.123509      1.543603      2.338009
  N      -5.696252      2.668903      2.857637
  C      -6.394014      3.443911      2.028088
  N      -6.598934      3.292550      0.719882
  C      -6.093298      2.139085      0.177361
  C      -6.340489      1.888266     -1.193425
  C      -5.902268      0.721211     -1.793459
  C      -5.202392     -0.233601     -1.034618
  C      -4.931374     -0.007660      0.308782
  C      -5.351517      1.180799      0.950079
  C      -3.646057     -0.232718      7.122784
  C      -4.676856      0.169210      8.180073
  O      -5.604117      1.129804      7.611467
  C      -6.574445      0.607554      6.830027
  O      -6.791191     -0.587453      6.716824
  C      -7.345305      1.686131      6.111993
  N      -7.395184      2.872710      6.703228
  C      -8.105723      3.843166      6.074154
  N      -8.765889      3.737880      4.936778
  C      -8.700135      2.532792      4.302347
  C      -9.337787      2.390808      3.045375
  C      -9.229397      1.208423      2.347770
  C      -8.497799      0.122867      2.884856
  C      -7.887035      0.219504      4.117176
  C      -7.972766      1.426581      4.857951
  H      -3.469044      3.636866      8.503519
  H      -4.584857      3.107985      7.223783
  H      -3.841860      6.037224      7.783841
  H      -5.323757      5.168187      8.322822
  H      -8.587274      7.126856      3.480893
  H      -5.973755      6.979065     -0.289848
  H      -3.539974      6.604959     -0.725159
  H      -1.969767      6.246255      1.173913
  H      -2.807093      6.207008      3.509052
  H      -1.049601     -0.932662      4.981250
  H      -0.742936     -0.715979      3.245687
  H      -3.407622     -1.024256      4.709894
  H      -2.722074     -1.973192      3.370328
  H      -6.862088      4.320160      2.486756
  H      -6.901316      2.643073     -1.747313
  H      -6.105916      0.537909     -2.850252
  H      -4.867774     -1.161673     -1.501962
  H      -4.389458     -0.758673      0.877154
  H      -4.220644     -0.492285      6.224089
  H      -3.143556     -1.157690      7.466621
  H      -5.235009     -0.708269      8.534745
  H      -4.216116      0.694331      9.026509
  H      -8.120620      4.817672      6.568537
  H      -9.872638      3.252061      2.643962
  H      -9.693338      1.110902      1.365127
  H      -8.407527     -0.799157      2.308420
  H      -7.329880     -0.620027      4.526032
  N      -2.532571      3.292570      3.783047
  N      -2.373867      3.172569      2.512598
  H      -2.193673      2.234082      2.124508
  H      -2.663514      3.927175      1.886823
99
Coordinates from ORCA-job orca E -6707.148684756313
  N      -2.753026      3.827175      6.510391
  Mo     -2.610181      2.219021      5.311093
  N      -2.685222      0.808270      6.815121
  C      -1.456532      0.653501      7.582799
  C      -0.669070      1.954374      7.605182
  N      -0.557567      2.516142      6.228973
  C      -0.352966      3.988078      6.241516
  C      -1.600377      4.647776      6.828024
  C       0.499466      1.816276      5.445276
  C      -0.039894      1.607935      4.032674
  N      -1.367027      1.038749      4.131130
  H      -1.700738      5.672721      6.427993
  H      -1.501507      4.751965      7.928052
  H      -0.207276      4.291698      5.196965
  H       0.554394      4.251409      6.813679
  H       0.642239      0.959008      3.454900
  H      -0.088047      2.582344      3.517162
  H       0.683795      0.841516      5.917398
  H       1.437848      2.394642      5.476393
  H      -1.670120      0.371531      8.631660
  H      -0.834130     -0.173334      7.173927
  H      -1.203968      2.683291      8.224430
  H       0.337635      1.810407      8.033220
  C      -3.830106      3.865971      7.472017
  C      -4.538173      5.219343      7.556204
  O      -5.228905      5.511321      6.318639
  C      -4.639700      6.368927      5.471765
  O      -3.592214      6.964218      5.665837
  C      -5.472929      6.558022      4.228891
  N      -6.772957      6.730093      4.414006
  C      -7.518606      6.974632      3.303064
  N      -7.099188      7.035489      2.054159
  C      -5.765166      6.825982      1.848887
  C      -5.265042      6.823519      0.523404
  C      -3.923388      6.609534      0.295521
  C      -3.031922      6.395321      1.376246
  C      -3.488964      6.382558      2.678471
  C      -4.866842      6.593809      2.940382
  C      -1.415702     -0.405551      4.070109
  C      -2.817522     -0.965581      3.794726
  O      -3.567436     -0.219189      2.809083
  C      -4.302846      0.834272      3.265060
  O      -4.199575      1.154796      4.516207
  C      -5.124178      1.543936      2.340204
  N      -5.698185      2.668018      2.861147
  C      -6.395527      3.443937      2.032127
  N      -6.599013      3.294542      0.723465
  C      -6.091495      2.142557      0.179434
  C      -6.336494      1.894235     -1.192189
  C      -5.895867      0.728972     -1.794085
  C      -5.195867     -0.226498     -1.036143
  C      -4.927384     -0.003101      0.308146
  C      -5.349947      1.183511      0.951290
  C      -3.645874     -0.232426      7.125441
  C      -4.676913      0.171473      8.181779
  O      -5.603945      1.131049      7.611579
  C      -6.574703      0.607794      6.831333
  O      -6.792071     -0.587314      6.720501
  C      -7.345444      1.685618      6.111909
  N      -7.393531      2.873472      6.700630
  C      -8.103689      3.843404      6.070341
  N      -8.765144      3.736451      4.933865
  C      -8.701500      2.529840      4.302080
  C      -9.340438      2.385943      3.046026
  C      -9.233402      1.202272      2.350377
  C      -8.502424      0.117071      2.888918
  C      -7.890632      0.215449      4.120621
  C      -7.974604      1.424061      4.859115
  H      -3.469809      3.635489      8.501774
  H      -4.585344      3.108220      7.221249
  H      -3.841760      6.037135      7.782972
  H      -5.323420      5.168167      8.321884
  H      -8.586858      7.128737      3.479519
  H      -5.972911      6.979566     -0.290864
  H      -3.539228      6.603809     -0.725872
  H      -1.969494      6.244947      1.173427
  H      -2.806967      6.207339      3.508616
  H      -1.051613     -0.933373      4.982197
  H      -0.744508     -0.717788      3.246702
  H      -3.409254     -1.026714      4.710734
  H      -2.723642     -1.974106      3.370317
  H      -6.864386      4.319351      2.491572
  H      -6.897416      2.649591     -1.745248
  H      -6.097716      0.547620     -2.851553
  H      -4.859171     -1.153049     -1.504946
  H      -4.385375     -0.754629      0.875799
  H      -4.220800     -0.493856      6.227393
  H      -3.143652     -1.156915      7.470857
  H      -5.235233     -0.705229      8.538049
  H      -4.216012      0.698105      9.027228
  H      -8.117022      4.818928      6.562812
  H      -9.874382      3.247103      2.643189
  H      -9.697881      1.103450      1.368038
  H      -8.413752     -0.806226      2.314273
  H      -7.334030     -0.623980      4.530466
  N      -2.533997      3.291490      3.782352
  N      -2.375374      3.171422      2.512025
  H      -2.193321      2.233509      2.123595
  H      -2.662666      3.926940      1.886261
99
Coordinates from ORCA-job orca E -6707.148688651527
  N      -2.753703      3.827040      6.510545
  Mo     -2.611661      2.218599      5.311703
  N      -2.684836      0.807749      6.815686
  C      -1.454967      0.653024      7.581526
  C      -0.668460      1.954412      7.604166
  N      -0.558215      2.516915      6.228124
  C      -0.354184      3.988869      6.241145
  C      -1.601350      4.647594      6.828942
  C       0.498632      1.817805      5.443388
  C      -0.041927      1.609072      4.031267
  N      -1.368707      1.039370      4.130962
  H      -1.702336      5.673012      6.430278
  H      -1.502043      4.750463      7.929095
  H      -0.209812      4.292906      5.196517
  H       0.553610      4.252370      6.812513
  H       0.639911      0.960226      3.453061
  H      -0.090839      2.583436      3.515771
  H       0.684240      0.843269      5.915418
  H       1.436497      2.397042      5.473471
  H      -1.666872      0.369710      8.630364
  H      -0.832459     -0.172856      7.170916
  H      -1.203532      2.682644      8.224108
  H       0.338604      1.810922      8.031530
  C      -3.831704      3.866004      7.471204
  C      -4.539132      5.219589      7.555169
  O      -5.228806      5.511933      6.317113
  C      -4.639133      6.369681      5.470769
  O      -3.591986      6.965259      5.665852
  C      -5.471862      6.558964      4.227563
  N      -6.771816      6.731818      4.412267
  C      -7.517129      6.976028      3.301003
  N      -7.097350      7.035660      2.052149
  C      -5.763362      6.825503      1.847370
  C      -5.262960      6.821971      0.521988
  C      -3.921248      6.607634      0.294616
  C      -3.030091      6.394252      1.375735
  C      -3.487445      6.382387      2.677881
  C      -4.865376      6.593879      2.939258
  C      -1.416912     -0.404969      4.070142
  C      -2.818624     -0.965720      3.795722
  O      -3.569777     -0.219902      2.810775
  C      -4.304979      0.833510      3.267080
  O      -4.201427      1.153791      4.518298
  C      -5.125943      1.543537      2.342205
  N      -5.699895      2.667632      2.863243
  C      -6.395710      3.444515      2.033927
  N      -6.597451      3.296263      0.724850
  C      -6.090086      2.144254      0.180666
  C      -6.333303      1.897340     -1.191530
  C      -5.893336      0.731919     -1.793666
  C      -5.196083     -0.225158     -1.035199
  C      -4.929344     -0.003093      0.309647
  C      -5.350764      1.183851      0.952922
  C      -3.644867     -0.233242      7.126633
  C      -4.676373      0.170394      8.182679
  O      -5.603570      1.129632      7.612410
  C      -6.573827      0.606247      6.831554
  O      -6.790094     -0.588974      6.719750
  C      -7.345171      1.684041      6.112588
  N      -7.393577      2.871725      6.701577
  C      -8.103871      3.841756      6.071487
  N      -8.765245      3.735007      4.934983
  C      -8.701386      2.528550      4.302961
  C      -9.340153      2.385059      3.046848
  C      -9.232868      1.201660      2.350745
  C      -8.501830      0.116363      2.888975
  C      -7.890160      0.214369      4.120798
  C      -7.974394      1.422691      4.859732
  H      -3.472490      3.634366      8.501012
  H      -4.587195      3.108907      7.219091
  H      -3.842789      6.037244      7.782677
  H      -5.324876      5.168718      8.320377
  H      -8.585290      7.130964      3.477190
  H      -5.970627      6.977644     -0.292512
  H      -3.536834      6.601074     -0.726675
  H      -1.967613      6.243763      1.173228
  H      -2.805606      6.207997      3.508327
  H      -1.052100     -0.932427      4.982147
  H      -0.745961     -0.717189      3.246540
  H      -3.409672     -1.027621      4.712154
  H      -2.724339     -1.974168      3.371162
  H      -6.864689      4.319870      2.493327
  H      -6.892440      2.653905     -1.744741
  H      -6.093747      0.551635     -2.851594
  H      -4.860198     -1.151971     -1.504036
  H      -4.389617     -0.755982      0.877666
  H      -4.220038     -0.495459      6.228911
  H      -3.142220     -1.157372      7.472295
  H      -5.234502     -0.706432      8.538959
  H      -4.215727      0.697293      9.028140
  H      -8.117498      4.817112      6.564235
  H      -9.874025      3.246343      2.644173
  H      -9.697198      1.103158      1.368274
  H      -8.413009     -0.806776      2.314098
  H      -7.333320     -0.625131      4.530165
  N      -2.537002      3.291763      3.782663
  N      -2.379195      3.171276      2.512455
  H      -2.196231      2.233699      2.123623
  H      -2.663837      3.927898      1.886807
99
Coordinates from ORCA-job orca E -6707.148690697736
  N      -2.753938      3.826344      6.510925
  Mo     -2.611876      2.218020      5.312161
  N      -2.684066      0.807028      6.816019
  C      -1.453538      0.652336      7.580884
  C      -0.668045      1.954290      7.604216
  N      -0.558108      2.517425      6.228378
  C      -0.354723      3.989409      6.241956
  C      -1.602084      4.647156      6.830213
  C       0.498952      1.819049      5.443241
  C      -0.041876      1.610291      4.031204
  N      -1.368354      1.040022      4.131097
  H      -1.703649      5.672851      6.432412
  H      -1.502925      4.749083      7.930493
  H      -0.210849      4.293956      5.197396
  H       0.553110      4.253083      6.813173
  H       0.640058      0.961812      3.452715
  H      -0.091352      2.584773      3.515975
  H       0.685239      0.844596      5.915136
  H       1.436432      2.398904      5.473048
  H      -1.664391      0.367664      8.629544
  H      -0.830712     -0.172531      7.168789
  H      -1.203791      2.681838      8.224375
  H       0.339071      1.811354      8.031658
  C      -3.832722      3.865091      7.470714
  C      -4.540601      5.218327      7.554269
  O      -5.229502      5.510454      6.315791
  C      -4.639693      6.368402      5.469756
  O      -3.592707      6.964048      5.665301
  C      -5.472187      6.557431      4.226308
  N      -6.772202      6.729976      4.410665
  C      -7.517400      6.973491      3.299153
  N      -7.097375      7.032842      2.050354
  C      -5.763212      6.823440      1.845995
  C      -5.262379      6.820282      0.520759
  C      -3.920411      6.607090      0.293847
  C      -3.029433      6.394344      1.375227
  C      -3.487214      6.382000      2.677226
  C      -4.865390      6.592443      2.938161
  C      -1.415985     -0.404341      4.069906
  C      -2.817399     -0.965794      3.795731
  O      -3.569274     -0.220321      2.811148
  C      -4.305017      0.832562      3.267726
  O      -4.201554      1.152679      4.519027
  C      -5.126493      1.542146      2.342911
  N      -5.701566      2.665642      2.864094
  C      -6.397240      3.442423      2.034663
  N      -6.597605      3.294850      0.725245
  C      -6.089208      2.143416      0.180900
  C      -6.330895      1.897342     -1.191723
  C      -5.890198      0.732311     -1.794082
  C      -5.193786     -0.225170     -1.035347
  C      -4.928368     -0.003826      0.309877
  C      -5.350360      1.182801      0.953390
  C      -3.643851     -0.234119      7.126813
  C      -4.675879      0.169796      8.182241
  O      -5.602395      1.129348      7.611491
  C      -6.572528      0.606760      6.829938
  O      -6.788810     -0.588382      6.717033
  C      -7.344012      1.685331      6.112322
  N      -7.391353      2.872678      6.702054
  C      -8.102075      3.843349      6.073387
  N      -8.765429      3.737342      4.938005
  C      -8.702779      2.531228      4.305212
  C      -9.343950      2.388592      3.050262
  C      -9.237978      1.205646      2.353167
  C      -8.505658      0.120108      2.889204
  C      -7.891809      0.217239      4.120013
  C      -7.974920      1.424956      4.860085
  H      -3.474199      3.633142      8.500651
  H      -4.587965      3.107937      7.217825
  H      -3.844885      6.036381      7.782335
  H      -5.326848      5.167186      8.319001
  H      -8.585663      7.128035      3.475116
  H      -5.969913      6.975591     -0.293926
  H      -3.535637      6.600926     -0.727315
  H      -1.966749      6.244881      1.173044
  H      -2.805533      6.208127      3.507916
  H      -1.050629     -0.931869      4.981650
  H      -0.745074     -0.716111      3.246099
  H      -3.408143     -1.028392      4.712317
  H      -2.722530     -1.974171      3.371112
  H      -6.867131      4.317302      2.494070
  H      -6.889618      2.654204     -1.744940
  H      -6.089385      0.552644     -2.852355
  H      -4.857575     -1.151841     -1.504244
  H      -4.389340     -0.757089      0.878029
  H      -4.218800     -0.496651      6.229060
  H      -3.141252     -1.158094      7.472959
  H      -5.234460     -0.706839      8.538326
  H      -4.215534      0.696632      9.027933
  H      -8.114476      4.818511      6.566550
  H      -9.878671      3.250065      2.649139
  H      -9.704304      1.107742      1.371581
  H      -8.417453     -0.802556      2.313486
  H      -7.333867     -0.622390      4.527595
  N      -2.537882      3.291794      3.782990
  N      -2.380341      3.170418      2.512938
  H      -2.195988      2.233062      2.124159
  H      -2.662648      3.927722      1.887041
99
Coordinates from ORCA-job orca E -6707.148694031437
  N      -2.754854      3.826124      6.511401
  Mo     -2.613322      2.217662      5.312948
  N      -2.683310      0.806646      6.817017
  C      -1.451684      0.652154      7.580214
  C      -0.667326      1.954760      7.603549
  N      -0.558677      2.518273      6.227761
  C      -0.356029      3.990322      6.241596
  C      -1.603274      4.647171      6.830939
  C       0.498067      1.820531      5.441685
  C      -0.043782      1.611716      4.030068
  N      -1.369906      1.040812      4.130827
  H      -1.705435      5.673068      6.433834
  H      -1.503833      4.748246      7.931282
  H      -0.213191      4.295346      5.197022
  H       0.552182      4.254263      6.812097
  H       0.637995      0.963770      3.450820
  H      -0.094240      2.586325      3.515154
  H       0.685105      0.846129      5.913377
  H       1.435312      2.400799      5.470673
  H      -1.660824      0.366219      8.628845
  H      -0.828772     -0.171663      7.166231
  H      -1.203464      2.681594      8.224171
  H       0.340150      1.812573      8.030410
  C      -3.834196      3.865178      7.470415
  C      -4.542550      5.218142      7.553136
  O      -5.230265      5.510005      6.313966
  C      -4.639729      6.367922      5.468352
  O      -3.592963      6.963579      5.664739
  C      -5.471366      6.556651      4.224238
  N      -6.771551      6.729125      4.407384
  C      -7.515799      6.972097      3.295097
  N      -7.094711      7.031217      2.046637
  C      -5.760294      6.822277      1.843565
  C      -5.258049      6.819507      0.518847
  C      -3.915778      6.607010      0.293295
  C      -3.025783      6.394263      1.375496
  C      -3.484938      6.381523      2.677000
  C      -4.863445      6.591534      2.936587
  C      -1.416883     -0.403605      4.069340
  C      -2.818087     -0.965932      3.796019
  O      -3.571046     -0.220680      2.812101
  C      -4.306854      0.831803      3.269485
  O      -4.203167      1.151173      4.520984
  C      -5.128366      1.541946      2.345069
  N      -5.703977      2.664890      2.866879
  C      -6.398518      3.442674      2.037507
  N      -6.596561      3.297054      0.727457
  C      -6.088226      2.145926      0.182569
  C      -6.328142      1.901477     -1.190673
  C      -5.888068      0.736438     -1.793429
  C      -5.194029     -0.222653     -1.034556
  C      -4.930019     -0.002812      0.311188
  C      -5.351257      1.183853      0.955147
  C      -3.642377     -0.235026      7.128371
  C      -4.675076      0.169093      8.183015
  O      -5.601499      1.128256      7.611468
  C      -6.571018      0.605562      6.829245
  O      -6.786565     -0.589698      6.715716
  C      -7.342792      1.684044      6.112028
  N      -7.389046      2.871634      6.701361
  C      -8.099803      3.842454      6.072970
  N      -8.764873      3.736144      4.938642
  C      -8.703416      2.529766      4.306230
  C      -9.346503      2.386959      3.052272
  C      -9.241514      1.203917      2.355185
  C      -8.508161      0.118582      2.890279
  C      -7.892734      0.215819      4.120279
  C      -7.974971      1.423542      4.860464
  H      -3.476232      3.633622      8.500643
  H      -4.589317      3.107880      7.217391
  H      -3.847403      6.036528      7.781829
  H      -5.329608      5.166779      8.317039
  H      -8.584301      7.126223      3.470035
  H      -5.964798      6.974754     -0.296539
  H      -3.529919      6.601276     -0.727467
  H      -1.962831      6.245292      1.174431
  H      -2.804168      6.207506      3.508414
  H      -1.050396     -0.931198      4.980580
  H      -0.746480     -0.714752      3.244871
  H      -3.408116     -1.029166      4.713013
  H      -2.722767     -1.974223      3.371320
  H      -6.869096      4.316969      2.497382
  H      -6.885320      2.659486     -1.743867
  H      -6.085887      0.558004     -2.852168
  H      -4.858641     -1.149510     -1.503702
  H      -4.392766     -0.757295      0.879405
  H      -4.216686     -0.498963      6.230665
  H      -3.139132     -1.158138      7.475843
  H      -5.233669     -0.707501      8.539238
  H      -4.215324      0.696424      9.028725
  H      -8.110703      4.817965      6.565448
  H      -9.882050      3.248230      2.651839
  H      -9.709598      1.105746      1.374492
  H      -8.420230     -0.804085      2.314532
  H      -7.334041     -0.623601      4.527242
  N      -2.540803      3.291749      3.783551
  N      -2.383729      3.169681      2.513576
  H      -2.198489      2.232503      2.124723
  H      -2.664132      3.927646      1.887597
99
Coordinates from ORCA-job orca E -6707.148697706567
  N      -2.755256      3.825748      6.512007
  Mo     -2.613945      2.217430      5.313614
  N      -2.682371      0.806154      6.817662
  C      -1.450051      0.651662      7.579740
  C      -0.666597      1.954807      7.603383
  N      -0.558739      2.518823      6.227739
  C      -0.356700      3.990951      6.242064
  C      -1.604002      4.646997      6.832067
  C       0.497870      1.821774      5.441001
  C      -0.044504      1.613255      4.029605
  N      -1.370332      1.041679      4.130689
  H      -1.706475      5.673098      6.435577
  H      -1.504637      4.747252      7.932492
  H      -0.214245      4.296585      5.197614
  H       0.551617      4.255022      6.812351
  H       0.637312      0.965997      3.449643
  H      -0.095790      2.588053      3.515117
  H       0.685371      0.847257      5.912275
  H       1.434987      2.402269      5.469708
  H      -1.658024      0.364566      8.628259
  H      -0.827007     -0.171243      7.164174
  H      -1.203260      2.680933      8.224359
  H       0.341089      1.813243      8.029967
  C      -3.835213      3.864933      7.470153
  C      -4.544424      5.217513      7.552027
  O      -5.231217      5.508950      6.312228
  C      -4.640344      6.367183      5.467098
  O      -3.594062      6.963338      5.664306
  C      -5.471166      6.555419      4.222338
  N      -6.771614      6.727256      4.404355
  C      -7.515002      6.969681      3.291374
  N      -7.092942      7.028900      2.043243
  C      -5.758236      6.820722      1.841339
  C      -5.254705      6.818264      0.517095
  C      -3.912114      6.606781      0.292773
  C      -3.022905      6.394506      1.375754
  C      -3.483302      6.381415      2.676798
  C      -4.862193      6.590559      2.935148
  C      -1.416500     -0.402784      4.068721
  C      -2.817464     -0.965899      3.795951
  O      -3.571077     -0.220774      2.812392
  C      -4.307329      0.831187      3.270373
  O      -4.203680      1.149908      4.522069
  C      -5.129144      1.541473      2.346353
  N      -5.705267      2.663858      2.868709
  C      -6.399503      3.442135      2.039586
  N      -6.596389      3.297744      0.729187
  C      -6.087993      2.146937      0.183801
  C      -6.327232      1.903325     -1.189723
  C      -5.887448      0.738380     -1.792789
  C      -5.194282     -0.221466     -1.034097
  C      -4.930720     -0.002423      0.311874
  C      -5.351652      1.184156      0.956209
  C      -3.641184     -0.235815      7.129125
  C      -4.674564      0.168507      8.182966
  O      -5.600731      1.127719      7.610901
  C      -6.569831      0.605230      6.828076
  O      -6.784978     -0.590056      6.713769
  C      -7.341985      1.683901      6.111621
  N      -7.387465      2.871448      6.701176
  C      -8.098834      3.842423      6.073767
  N      -8.765744      3.736186      4.940538
  C      -8.705030      2.529961      4.307776
  C      -9.349928      2.387472      3.054690
  C      -9.245565      1.204733      2.356986
  C      -8.510983      0.119480      2.890611
  C      -7.893987      0.216373      4.119836
  C      -7.975560      1.423733      4.860701
  H      -3.477724      3.634248      8.500789
  H      -4.589919      3.107114      7.217333
  H      -3.849852      6.036268      7.781175
  H      -5.332173      5.165678      8.315159
  H      -8.583754      7.123277      3.465338
  H      -5.960807      6.972981     -0.298962
  H      -3.525291      6.601415     -0.727630
  H      -1.959655      6.246325      1.175740
  H      -2.803324      6.207556      3.508893
  H      -1.048985     -0.930568      4.979421
  H      -0.746508     -0.713034      3.243566
  H      -3.407046     -1.029431      4.713205
  H      -2.721767     -1.974102      3.371173
  H      -6.870727      4.315800      2.499993
  H      -6.883867      2.661830     -1.742783
  H      -6.084792      0.560575     -2.851724
  H      -4.859284     -1.148341     -1.503507
  H      -4.394084     -0.757442      0.879944
  H      -4.214535     -0.500888      6.231185
  H      -3.137601     -1.158218      7.477971
  H      -5.233352     -0.708133      8.538820
  H      -4.215428      0.695822      9.029003
  H      -8.108942      4.817916      6.566291
  H      -9.886568      3.248614      2.655453
  H      -9.715273      1.106708      1.377083
  H      -8.423167     -0.802884      2.314359
  H      -7.334437     -0.622924      4.525860
  N      -2.542468      3.291829      3.784089
  N      -2.385391      3.169068      2.514242
  H      -2.198873      2.232020      2.125658
  H      -2.663945      3.927439      1.887943
99
Coordinates from ORCA-job orca E -6707.148703870773
  N      -2.756101      3.825565      6.512770
  Mo     -2.615411      2.217290      5.314604
  N      -2.681223      0.805669      6.818722
  C      -1.447915      0.651246      7.579121
  C      -0.665631      1.955080      7.602828
  N      -0.559254      2.519614      6.227312
  C      -0.357931      3.991852      6.242057
  C      -1.605150      4.647078      6.833032
  C       0.496945      1.823401      5.439506
  C      -0.046421      1.615428      4.028510
  N      -1.371836      1.042860      4.130293
  H      -1.708013      5.673371      6.437123
  H      -1.505629      4.746585      7.933505
  H      -0.216016      4.298100      5.197716
  H       0.550592      4.256143      6.811943
  H       0.635349      0.969156      3.447394
  H      -0.098924      2.590488      3.514644
  H       0.685048      0.848638      5.910046
  H       1.433992      2.404043      5.467787
  H      -1.654256      0.362867      8.627581
  H      -0.824781     -0.170596      7.161599
  H      -1.202880      2.680302      8.224347
  H       0.342465      1.814474      8.028764
  C      -3.836679      3.865122      7.469951
  C      -4.546828      5.217405      7.550705
  O      -5.232453      5.508404      6.310105
  C      -4.640768      6.366632      5.465431
  O      -3.594870      6.963082      5.663634
  C      -5.470208      6.554357      4.219668
  N      -6.771018      6.725591      4.399979
  C      -7.512966      6.967670      3.285972
  N      -7.089352      7.027042      2.038374
  C      -5.754327      6.819314      1.838215
  C      -5.248934      6.816929      0.514672
  C      -3.905966      6.606200      0.292150
  C      -3.018035      6.394461      1.376339
  C      -3.480248      6.381228      2.676717
  C      -4.859619      6.589684      2.933210
  C      -1.416723     -0.401663      4.067595
  C      -2.817390     -0.965932      3.795863
  O      -3.572094     -0.220950      2.813000
  C      -4.308686      0.830439      3.271984
  O      -4.205029      1.148035      4.523995
  C      -5.130655      1.541331      2.348642
  N      -5.707182      2.662985      2.871970
  C      -6.400818      3.442331      2.043335
  N      -6.596474      3.299744      0.732533
  C      -6.088256      2.149336      0.186229
  C      -6.326790      1.907024     -1.187660
  C      -5.887286      0.742376     -1.791434
  C      -5.194941     -0.218507     -1.033327
  C      -4.931903     -0.000750      0.312963
  C      -5.352634      1.185482      0.958065
  C      -3.639600     -0.236757      7.130761
  C      -4.673929      0.167830      8.183435
  O      -5.600064      1.126727      7.610591
  C      -6.568370      0.603968      6.827059
  O      -6.782647     -0.591418      6.711985
  C      -7.341179      1.682505      6.111116
  N      -7.385704      2.870243      6.700438
  C      -8.097863      3.841136      6.073930
  N      -8.766579      3.734708      4.941796
  C      -8.706709      2.528429      4.309071
  C      -9.353241      2.385954      3.056792
  C      -9.249488      1.203335      2.358786
  C      -8.514058      0.118166      2.891439
  C      -7.895668      0.214999      4.119943
  C      -7.976385      1.422279      4.861057
  H      -3.479634      3.635911      8.501154
  H      -4.590879      3.106568      7.217798
  H      -3.852763      6.036423      7.780414
  H      -5.335434      5.164979      8.312863
  H      -8.582044      7.120771      3.458397
  H      -5.954001      6.971067     -0.302398
  H      -3.517744      6.601037     -0.727726
  H      -1.954424      6.246830      1.177888
  H      -2.801464      6.207613      3.509823
  H      -1.047517     -0.929739      4.977421
  H      -0.747472     -0.710501      3.241293
  H      -3.406244     -1.029981      4.713533
  H      -2.721234     -1.973926      3.370728
  H      -6.872593      4.315214      2.504650
  H      -6.882845      2.666200     -1.740391
  H      -6.084222      0.565545     -2.850606
  H      -4.860196     -1.145138     -1.503395
  H      -4.395781     -0.756448      0.880628
  H      -4.211515     -0.504005      6.232587
  H      -3.135339     -1.157924      7.481839
  H      -5.232728     -0.708966      8.538915
  H      -4.215658      0.695367      9.029769
  H      -8.106852      4.816860      6.566015
  H      -9.890754      3.246961      2.658443
  H      -9.720521      1.105296      1.379530
  H      -8.426527     -0.804121      2.315019
  H      -7.335590     -0.624157      4.525531
  N      -2.545763      3.291826      3.784800
  N      -2.388428      3.168294      2.515133
  H      -2.200064      2.231345      2.127183
  H      -2.664886      3.926941      1.888248
99
Coordinates from ORCA-job orca E -6707.148712574613
  N      -2.756542      3.825479      6.513645
  Mo     -2.616889      2.217273      5.315634
  N      -2.679977      0.805211      6.819746
  C      -1.445795      0.650682      7.578538
  C      -0.664491      1.955091      7.602199
  N      -0.559717      2.520076      6.226789
  C      -0.358783      3.992377      6.241861
  C      -1.605734      4.647093      6.833831
  C       0.495903      1.824555      5.437843
  C      -0.048495      1.617482      4.027231
  N      -1.373537      1.043924      4.129705
  H      -1.708850      5.673573      6.438451
  H      -1.505853      4.746008      7.934324
  H      -0.217274      4.299081      5.197604
  H       0.549970      4.256742      6.811372
  H       0.633164      0.972212      3.444860
  H      -0.102105      2.592855      3.514092
  H       0.684391      0.849396      5.907418
  H       1.433041      2.405081      5.465912
  H      -1.650700      0.361259      8.626973
  H      -0.822650     -0.170312      7.159354
  H      -1.202225      2.679497      8.224269
  H       0.344059      1.815431      8.027363
  C      -3.837575      3.865489      7.470054
  C      -4.548582      5.217584      7.549843
  O      -5.233456      5.508264      6.308681
  C      -4.641285      6.366577      5.464377
  O      -3.595845      6.963562      5.663459
  C      -5.469445      6.553818      4.217708
  N      -6.770603      6.724339      4.396579
  C      -7.511330      6.966292      3.281750
  N      -7.086379      7.025929      2.034613
  C      -5.751114      6.818453      1.835901
  C      -5.244273      6.815788      0.512913
  C      -3.901019      6.605482      0.291826
  C      -3.014106      6.394536      1.377051
  C      -3.477726      6.381560      2.676920
  C      -4.857491      6.589428      2.931891
  C      -1.416887     -0.400668      4.066342
  C      -2.817283     -0.966229      3.796181
  O      -3.573307     -0.221692      2.813983
  C      -4.309938      0.829440      3.273742
  O      -4.206332      1.145990      4.526022
  C      -5.131771      1.541027      2.350921
  N      -5.708335      2.662149      2.875133
  C      -6.401263      3.442668      2.046969
  N      -6.596094      3.301658      0.735898
  C      -6.088341      2.151462      0.188719
  C      -6.326558      1.910280     -1.185422
  C      -5.887541      0.745831     -1.789891
  C      -5.195941     -0.216082     -1.032420
  C      -4.933210      0.000520      0.314132
  C      -5.353481      1.186522      0.959922
  C      -3.638228     -0.237388      7.132475
  C      -4.673628      0.167876      8.183658
  O      -5.599583      1.126443      7.609785
  C      -6.567212      0.603189      6.825843
  O      -6.780775     -0.592292      6.710514
  C      -7.340754      1.681407      6.110029
  N      -7.384569      2.869456      6.698863
  C      -8.097546      3.840049      6.072972
  N      -8.767705      3.733210      4.941721
  C      -8.708347      2.526790      4.309265
  C      -9.355733      2.384130      3.057430
  C      -9.252220      1.201516      2.359371
  C      -8.516520      0.116389      2.891728
  C      -7.897389      0.213366      4.119832
  C      -7.977420      1.420800      4.860806
  H      -3.480784      3.637927      8.501801
  H      -4.591231      3.106106      7.218817
  H      -3.854845      6.036734      7.779965
  H      -5.337794      5.164491      8.311268
  H      -8.580666      7.119069      3.452853
  H      -5.948515      6.969223     -0.305004
  H      -3.511721      6.600138     -0.727637
  H      -1.950215      6.247229      1.179881
  H      -2.799836      6.208563      3.510859
  H      -1.045610     -0.928927      4.975201
  H      -0.748620     -0.708002      3.238678
  H      -3.405237     -1.030570      4.714404
  H      -2.720763     -1.974068      3.370780
  H      -6.873107      4.315031      2.509141
  H      -6.882035      2.670095     -1.737870
  H      -6.084374      0.569857     -2.849228
  H      -4.861528     -1.142474     -1.503174
  H      -4.397628     -0.755855      0.881405
  H      -4.208545     -0.507120      6.234038
  H      -3.133524     -1.157300      7.486143
  H      -5.232593     -0.708959      8.538810
  H      -4.216220      0.695726      9.030238
  H      -8.106360      4.815892      6.564840
  H      -9.893650      3.245072      2.659480
  H      -9.723740      1.103418      1.380343
  H      -8.429340     -0.806008      2.315414
  H      -7.337157     -0.625653      4.525499
  N      -2.549198      3.291799      3.785552
  N      -2.390844      3.167716      2.516153
  H      -2.200487      2.230762      2.129140
  H      -2.665320      3.926405      1.888481
99
Coordinates from ORCA-job orca E -6707.148728161220
  N      -2.757270      3.825582      6.514980
  Mo     -2.619263      2.217499      5.317064
  N      -2.678556      0.804647      6.820936
  C      -1.443427      0.650072      7.577898
  C      -0.663359      1.955183      7.601398
  N      -0.560786      2.520664      6.226095
  C      -0.360079      3.992998      6.241442
  C      -1.606565      4.647310      6.834646
  C       0.494058      1.825946      5.435670
  C      -0.051605      1.620519      4.025455
  N      -1.376180      1.045614      4.128603
  H      -1.710087      5.673979      6.439800
  H      -1.505919      4.745836      7.935118
  H      -0.219025      4.300035      5.197225
  H       0.548971      4.257375      6.810500
  H       0.629906      0.976593      3.441400
  H      -0.106468      2.596417      3.513494
  H       0.682822      0.850116      5.903737
  H       1.431408      2.406152      5.463852
  H      -1.646791      0.359657      8.626349
  H      -0.820168     -0.170055      7.157171
  H      -1.201649      2.678616      8.224164
  H       0.345824      1.816828      8.025466
  C      -3.838743      3.866218      7.470639
  C      -4.550351      5.218332      7.549345
  O      -5.234391      5.508782      6.307623
  C      -4.641292      6.366572      5.463440
  O      -3.595955      6.963592      5.663306
  C      -5.467854      6.553624      4.215739
  N      -6.769332      6.723799      4.393080
  C      -7.508670      6.966055      3.277418
  N      -7.082225      7.025789      2.030781
  C      -5.746805      6.817970      1.833603
  C      -5.238554      6.814624      0.511166
  C      -3.895053      6.604213      0.291542
  C      -3.009290      6.394164      1.377904
  C      -3.474297      6.381804      2.677284
  C      -4.854409      6.589410      2.930665
  C      -1.417228     -0.399058      4.064069
  C      -2.817211     -0.966532      3.796387
  O      -3.575376     -0.222833      2.815247
  C      -4.311807      0.828112      3.275996
  O      -4.208207      1.143376      4.528564
  C      -5.133279      1.540704      2.353736
  N      -5.709573      2.661416      2.878905
  C      -6.401675      3.443338      2.051265
  N      -6.596242      3.303729      0.740072
  C      -6.089104      2.153676      0.191912
  C      -6.327317      1.913630     -1.182407
  C      -5.888588      0.749525     -1.787786
  C      -5.197277     -0.213288     -1.031182
  C      -4.934727      0.002137      0.315606
  C      -5.354780      1.187722      0.962229
  C      -3.636594     -0.238135      7.134702
  C      -4.673341      0.168099      8.183930
  O      -5.599050      1.126056      7.608606
  C      -6.565839      0.601947      6.824296
  O      -6.778416     -0.593668      6.708827
  C      -7.340382      1.679639      6.108473
  N      -7.383560      2.868064      6.696629
  C      -8.097600      3.838171      6.071398
  N      -8.768728      3.730939      4.940717
  C      -8.709772      2.524291      4.308711
  C      -9.357535      2.381286      3.057102
  C      -9.254291      1.198510      2.359285
  C      -8.518974      0.113269      2.891906
  C      -7.899427      0.210554      4.119768
  C      -7.978611      1.418411      4.860189
  H      -3.482209      3.640472      8.502960
  H      -4.591839      3.105974      7.220416
  H      -3.856696      6.037378      7.779917
  H      -5.340148      5.164673      8.310078
  H      -8.578201      7.118969      3.447086
  H      -5.941902      6.967503     -0.307623
  H      -3.504694      6.598322     -0.727503
  H      -1.945156      6.246832      1.182031
  H      -2.797255      6.209716      3.512060
  H      -1.042892     -0.927617      4.971487
  H      -0.750414     -0.704229      3.234435
  H      -3.403758     -1.031398      4.715456
  H      -2.720167     -1.974152      3.370582
  H      -6.873189      4.315361      2.514364
  H      -6.882465      2.673957     -1.734494
  H      -6.085575      0.574423     -2.847241
  H      -4.862907     -1.139215     -1.502834
  H      -4.399395     -0.754810      0.882374
  H      -4.205102     -0.511200      6.236108
  H      -3.131385     -1.156520      7.491526
  H      -5.232490     -0.708705      8.538874
  H      -4.216883      0.696554      9.030631
  H      -8.106135      4.814275      6.562775
  H      -9.895314      3.242325      2.659156
  H      -9.725675      1.100347      1.380158
  H      -8.432526     -0.809436      2.315968
  H      -7.339397     -0.628384      4.525889
  N      -2.554509      3.291916      3.786653
  N      -2.393773      3.167124      2.517745
  H      -2.200306      2.229992      2.132575
  H      -2.666415      3.925238      1.888608
99
Coordinates from ORCA-job orca E -6707.148748642066
  N      -2.757448      3.825900      6.516666
  Mo     -2.622207      2.217855      5.318811
  N      -2.677171      0.804022      6.822271
  C      -1.441283      0.649332      7.577647
  C      -0.662190      1.954967      7.600565
  N      -0.562194      2.520659      6.225230
  C      -0.360970      3.992906      6.240537
  C      -1.606518      4.647405      6.835236
  C       0.491522      1.826302      5.433181
  C      -0.055486      1.623320      4.023308
  N      -1.379750      1.047315      4.126891
  H      -1.710353      5.674251      6.440868
  H      -1.504546      4.745784      7.935630
  H      -0.220567      4.299915      5.196224
  H       0.548635      4.256938      6.808882
  H       0.625675      0.980669      3.437412
  H      -0.111193      2.599942      3.512886
  H       0.679980      0.849564      5.899445
  H       1.429397      2.405669      5.461838
  H      -1.643449      0.358554      8.626239
  H      -0.817987     -0.170397      7.156186
  H      -1.200656      2.677707      8.224038
  H       0.347773      1.817876      8.023159
  C      -3.839197      3.867489      7.471849
  C      -4.550892      5.219859      7.549482
  O      -5.234589      5.510148      6.307530
  C      -4.640960      6.367290      5.463184
  O      -3.595564      6.964293      5.663421
  C      -5.466383      6.554458      4.214822
  N      -6.768004      6.724740      4.391365
  C      -7.506562      6.967701      3.275364
  N      -7.079279      7.027324      2.028983
  C      -5.743908      6.818602      1.832566
  C      -5.235208      6.814129      0.510318
  C      -3.891699      6.602762      0.291295
  C      -3.006531      6.393418      1.378254
  C      -3.471968      6.382245      2.677509
  C      -4.852147      6.590236      2.930189
  C      -1.418251     -0.397461      4.061335
  C      -2.817843     -0.967213      3.797416
  O      -3.578953     -0.225069      2.817451
  C      -4.314205      0.826414      3.278891
  O      -4.210481      1.140459      4.531651
  C      -5.134544      1.540584      2.356872
  N      -5.709740      2.661371      2.882862
  C      -6.400657      3.444952      2.055681
  N      -6.595403      3.306522      0.744506
  C      -6.089375      2.156319      0.195421
  C      -6.327767      1.917576     -1.179050
  C      -5.889765      0.753670     -1.785437
  C      -5.199195     -0.210353     -1.029663
  C      -4.936795      0.003742      0.317381
  C      -5.356058      1.189088      0.964863
  C      -3.635148     -0.238645      7.137384
  C      -4.673393      0.169350      8.184203
  O      -5.598422      1.126517      7.606638
  C      -6.564730      0.601166      6.822615
  O      -6.776741     -0.594608      6.708240
  C      -7.340046      1.677924      6.105874
  N      -7.382828      2.867071      6.692601
  C      -8.097378      3.836406      6.066919
  N      -8.768709      3.728175      4.936374
  C      -8.709948      2.520860      4.305689
  C      -9.357010      2.376798      3.053845
  C      -9.253875      1.193299      2.357260
  C      -8.519890      0.108012      2.891580
  C      -7.900776      0.206344      4.119588
  C      -7.979257      1.415276      4.858384
  H      -3.482899      3.643202      8.504613
  H      -4.591941      3.106638      7.222429
  H      -3.857013      6.038635      7.780174
  H      -5.340930      5.166077      8.309936
  H      -8.576089      7.121309      3.444285
  H      -5.938128      6.966794     -0.308867
  H      -3.501011      6.595786     -0.727608
  H      -1.942380      6.245417      1.182917
  H      -2.795143      6.211138      3.512622
  H      -1.040103     -0.926031      4.967168
  H      -0.753412     -0.700572      3.229377
  H      -3.402329     -1.032301      4.717778
  H      -2.720403     -1.974818      3.371638
  H      -6.870967      4.317162      2.519569
  H      -6.882228      2.678645     -1.730811
  H      -6.086953      0.579603     -2.845034
  H      -4.865227     -1.135915     -1.502267
  H      -4.402203     -0.754081      0.883679
  H      -4.202063     -0.515409      6.238851
  H      -3.129721     -1.155553      7.497573
  H      -5.233065     -0.706993      8.539465
  H      -4.217779      0.698886      9.030703
  H      -8.106638      4.812833      6.557682
  H      -9.893788      3.237949      2.654762
  H      -9.724165      1.094534      1.377609
  H      -8.434416     -0.815498      2.316768
  H      -7.341508     -0.632435      4.527095
  N      -2.560886      3.292121      3.788141
  N      -2.395326      3.166470      2.520061
  H      -2.198482      2.228768      2.137701
  H      -2.666461      3.923248      1.888704
99
Coordinates from ORCA-job orca E -6707.148782156983
  N      -2.757507      3.826454      6.519355
  Mo     -2.625847      2.218714      5.321345
  N      -2.675770      0.802992      6.823487
  C      -1.439557      0.648429      7.578031
  C      -0.661590      1.954614      7.600567
  N      -0.564299      2.520734      6.225267
  C      -0.362016      3.992805      6.240855
  C      -1.606446      4.647510      6.837252
  C       0.488402      1.826813      5.431556
  C      -0.059444      1.627935      4.021646
  N      -1.383551      1.050874      4.124334
  H      -1.710667      5.674716      6.443838
  H      -1.503009      4.745392      7.937616
  H      -0.222400      4.299882      5.196446
  H       0.548244      4.256025      6.808514
  H       0.621450      0.986950      3.433588
  H      -0.115488      2.605842      3.513805
  H       0.675885      0.848728      5.895315
  H       1.426985      2.404984      5.461766
  H      -1.641209      0.357676      8.626761
  H      -0.815859     -0.171139      7.156864
  H      -1.200115      2.676623      8.224887
  H       0.349219      1.818820      8.021535
  C      -3.840263      3.869031      7.473403
  C      -4.551199      5.221943      7.549578
  O      -5.234045      5.511983      6.307211
  C      -4.639339      6.367782      5.462480
  O      -3.593217      6.963735      5.662819
  C      -5.463743      6.555887      4.213665
  N      -6.765219      6.727815      4.389868
  C      -7.503211      6.972010      3.273774
  N      -7.075471      7.030516      2.027466
  C      -5.740419      6.819586      1.831384
  C      -5.231868      6.813282      0.509102
  C      -3.888587      6.599707      0.290243
  C      -3.003859      6.390528      1.377507
  C      -3.469157      6.381177      2.676854
  C      -4.849098      6.590830      2.929312
  C      -1.419041     -0.394015      4.056855
  C      -2.818000     -0.966675      3.797495
  O      -3.583010     -0.226548      2.819161
  C      -4.316855      0.825380      3.281615
  O      -4.212619      1.138063      4.534514
  C      -5.136111      1.541406      2.359962
  N      -5.709596      2.662611      2.886807
  C      -6.400054      3.447496      2.060337
  N      -6.596640      3.309398      0.749538
  C      -6.091696      2.159053      0.199452
  C      -6.331390      1.921313     -1.174902
  C      -5.893886      0.757802     -1.782586
  C      -5.202803     -0.206830     -1.028008
  C      -4.939613      0.006237      0.319045
  C      -5.358344      1.191106      0.967663
  C      -3.633434     -0.239660      7.139845
  C      -4.673198      0.170361      8.184214
  O      -5.597199      1.126540      7.603868
  C      -6.563325      0.599798      6.820519
  O      -6.774898     -0.596164      6.707751
  C      -7.339293      1.675488      6.102649
  N      -7.381932      2.865358      6.687848
  C      -8.096901      3.833816      6.061390
  N      -8.767717      3.724545      4.930544
  C      -8.709091      2.516405      4.301466
  C      -9.355326      2.370925      3.049374
  C      -9.252654      1.186338      2.354626
  C      -8.520257      0.101050      2.891116
  C      -7.901500      0.200831      4.119207
  C      -7.979221      1.411136      4.855864
  H      -3.485167      3.644935      8.506572
  H      -4.592888      3.108205      7.223316
  H      -3.856774      6.040206      7.780345
  H      -5.341582      5.169036      8.309771
  H      -8.572463      7.127670      3.442413
  H      -5.934549      6.966450     -0.310173
  H      -3.497997      6.591050     -0.728676
  H      -1.939900      6.240967      1.182202
  H      -2.792243      6.210657      3.511975
  H      -1.036324     -0.922814      4.960648
  H      -0.756498     -0.694515      3.222130
  H      -3.399737     -1.032286      4.719541
  H      -2.719914     -1.974295      3.371857
  H      -6.868546      4.320255      2.524984
  H      -6.886045      2.682743     -1.725969
  H      -6.091987      0.584575     -2.842157
  H      -4.869033     -1.131880     -1.501715
  H      -4.404919     -0.752120      0.884539
  H      -4.199396     -0.519940      6.241699
  H      -3.127929     -1.155385      7.502800
  H      -5.233561     -0.705199      8.540295
  H      -4.218224      0.701357      9.030200
  H      -8.106495      4.810784      6.551106
  H      -9.890698      3.232221      2.648694
  H      -9.721796      1.086606      1.374457
  H      -8.436116     -0.823443      2.317688
  H      -7.342997     -0.637764      4.528132
  N      -2.569007      3.293514      3.790559
  N      -2.395139      3.164850      2.524034
  H      -2.192669      2.225817      2.147302
  H      -2.665231      3.918296      1.888274
99
Coordinates from ORCA-job orca E -6707.148818356442
  N      -2.756128      3.827080      6.522986
  Mo     -2.628323      2.220028      5.324675
  N      -2.674416      0.801415      6.824270
  C      -1.438728      0.646847      7.579528
  C      -0.661428      1.953270      7.602583
  N      -0.565760      2.520453      6.227594
  C      -0.361739      3.992250      6.244457
  C      -1.605141      4.647040      6.842353
  C       0.486384      1.826960      5.432660
  C      -0.061065      1.633711      4.022054
  N      -1.385515      1.056503      4.121668
  H      -1.709241      5.675010      6.450853
  H      -1.501154      4.743113      7.942901
  H      -0.222876      4.300029      5.200133
  H       0.549179      4.253839      6.811764
  H       0.619700      0.994422      3.431996
  H      -0.116320      2.613454      3.517727
  H       0.671970      0.847233      5.893613
  H       1.425812      2.403630      5.465557
  H      -1.641192      0.356365      8.628221
  H      -0.814405     -0.172927      7.159734
  H      -1.199652      2.674665      8.227878
  H       0.349942      1.817863      8.022335
  C      -3.841647      3.870475      7.474121
  C      -4.551265      5.223921      7.548103
  O      -5.232547      5.513243      6.304876
  C      -4.636949      6.368119      5.460056
  O      -3.590074      6.962849      5.660515
  C      -5.461085      6.557681      4.211313
  N      -6.762051      6.732722      4.388038
  C      -7.500094      6.978343      3.272275
  N      -7.072751      7.034753      2.025710
  C      -5.738295      6.820637      1.829132
  C      -5.230737      6.812047      0.506480
  C      -3.888018      6.595083      0.287051
  C      -3.003236      6.385058      1.373998
  C      -3.467556      6.378029      2.673728
  C      -4.846858      6.590804      2.926809
  C      -1.418920     -0.388508      4.051826
  C      -2.817254     -0.963630      3.796452
  O      -3.585911     -0.225311      2.819695
  C      -4.318671      0.826654      3.283368
  O      -4.213201      1.138232      4.536266
  C      -5.137667      1.544173      2.362409
  N      -5.709112      2.666001      2.890148
  C      -6.400438      3.451308      2.064752
  N      -6.600273      3.312734      0.754589
  C      -6.096271      2.162358      0.203504
  C      -6.338311      1.925253     -1.170496
  C      -5.901340      0.762187     -1.779568
  C      -5.208770     -0.202489     -1.026374
  C      -4.943627      0.009971      0.320378
  C      -5.361710      1.194352      0.970305
  C      -3.631741     -0.241379      7.140676
  C      -4.672618      0.170140      8.183462
  O      -5.595285      1.125703      7.600635
  C      -6.561940      0.598065      6.818399
  O      -6.773816     -0.598035      6.707792
  C      -7.337891      1.672874      6.099280
  N      -7.380182      2.863541      6.682820
  C      -8.094771      3.831355      6.054869
  N      -8.765376      3.720742      4.923967
  C      -8.707343      2.511559      4.296842
  C      -9.353405      2.364396      3.044868
  C      -9.251686      1.178461      2.352338
  C      -8.520271      0.093463      2.890812
  C      -7.901228      0.195002      4.118643
  C      -7.978194      1.406734      4.853036
  H      -3.489804      3.644494      8.507829
  H      -4.594313      3.110571      7.220720
  H      -3.856456      6.041888      7.778867
  H      -5.342361      5.173071      8.307775
  H      -8.568793      7.137058      3.441528
  H      -5.933589      6.966455     -0.312398
  H      -3.498166      6.584377     -0.732134
  H      -1.939759      6.232971      1.177955
  H      -2.790237      6.206957      3.508383
  H      -1.032428     -0.917695      4.953790
  H      -0.758290     -0.686792      3.214795
  H      -3.396245     -1.029773      4.720182
  H      -2.718561     -1.971377      3.371235
  H      -6.866776      4.324876      2.530018
  H      -6.893941      2.686778     -1.720423
  H      -6.100971      0.589530     -2.838948
  H      -4.875374     -1.127165     -1.501093
  H      -4.408073     -0.748612      0.884737
  H      -4.197907     -0.523001      6.242949
  H      -3.126522     -1.156955      7.504276
  H      -5.233842     -0.704469      8.540519
  H      -4.217922      0.702329      9.028932
  H      -8.104701      4.808815      6.543642
  H      -9.887602      3.225641      2.642511
  H      -9.720591      1.077269      1.372184
  H      -8.437447     -0.832043      2.318815
  H      -7.343071     -0.643334      4.528547
  N      -2.575736      3.296925      3.793999
  N      -2.391719      3.161325      2.529717
  H      -2.182329      2.219903      2.161853
  H      -2.660708      3.909365      1.887169
99
Coordinates from ORCA-job orca E -6707.148851301730
  N      -2.753804      3.827417      6.527532
  Mo     -2.628613      2.221865      5.328881
  N      -2.672783      0.799086      6.824322
  C      -1.438387      0.644433      7.581785
  C      -0.661749      1.951074      7.607403
  N      -0.565952      2.520936      6.233443
  C      -0.360599      3.992527      6.253718
  C      -1.603965      4.646091      6.852423
  C       0.486787      1.828899      5.437816
  C      -0.058610      1.642483      4.025721
  N      -1.383715      1.065680      4.119737
  H      -1.707557      5.675420      6.464338
  H      -1.501649      4.738141      7.953538
  H      -0.221980      4.302595      5.210016
  H       0.550458      4.251955      6.821715
  H       0.622517      1.005328      3.433805
  H      -0.112472      2.624589      3.525848
  H       0.670325      0.847347      5.895598
  H       1.426715      2.404518      5.474501
  H      -1.642811      0.353423      8.629988
  H      -0.812941     -0.175184      7.163427
  H      -1.199881      2.671318      8.234064
  H       0.349651      1.815046      8.026941
  C      -3.845225      3.870629      7.472271
  C      -4.553790      5.224153      7.543005
  O      -5.231063      5.512209      6.297464
  C      -4.633589      6.366945      5.453871
  O      -3.586036      6.959888      5.655701
  C      -5.457061      6.558788      4.204990
  N      -6.757331      6.738534      4.381726
  C      -7.494673      6.985824      3.265803
  N      -7.067223      7.039337      2.019150
  C      -5.733426      6.821088      1.822725
  C      -5.225882      6.810332      0.500061
  C      -3.883733      6.589393      0.281026
  C      -2.999690      6.377230      1.368090
  C      -3.464021      6.372235      2.667809
  C      -4.842660      6.589270      2.920580
  C      -1.416337     -0.379437      4.046196
  C      -2.813984     -0.956023      3.792084
  O      -3.584948     -0.217998      2.816954
  C      -4.318963      0.831927      3.282991
  O      -4.211216      1.142473      4.535873
  C      -5.140352      1.549537      2.363981
  N      -5.710389      2.671536      2.893067
  C      -6.404922      3.455906      2.069500
  N      -6.609758      3.316040      0.760233
  C      -6.106081      2.166135      0.207907
  C      -6.352326      1.928760     -1.165289
  C      -5.915600      0.766358     -1.775850
  C      -5.219198     -0.197107     -1.024639
  C      -4.950016      0.015649      0.321224
  C      -5.367827      1.199321      0.972732
  C      -3.629540     -0.244429      7.138987
  C      -4.670710      0.166851      8.181988
  O      -5.592599      1.122230      7.598185
  C      -6.559978      0.594485      6.816712
  O      -6.772137     -0.601720      6.707271
  C      -7.335635      1.668939      6.097227
  N      -7.377077      2.860170      6.679644
  C      -8.091603      3.827666      6.050916
  N      -8.763356      3.715882      4.920849
  C      -8.706580      2.505866      4.295153
  C      -9.354819      2.357274      3.044466
  C      -9.254696      1.170316      2.353489
  C      -8.522072      0.086075      2.891949
  C      -7.900715      0.189114      4.118508
  C      -7.976892      1.401587      4.851707
  H      -3.499934      3.640493      8.507023
  H      -4.597487      3.112305      7.211917
  H      -3.859436      6.042316      7.774744
  H      -5.347017      5.175894      8.300719
  H      -8.562734      7.148644      3.435316
  H      -5.928280      6.966770     -0.318818
  H      -3.493848      6.577001     -0.738145
  H      -1.936672      6.222100      1.171947
  H      -2.787284      6.198895      3.502472
  H      -1.027997     -0.909886      4.946578
  H      -0.756408     -0.675381      3.207761
  H      -3.391164     -1.023552      4.716838
  H      -2.714419     -1.963558      3.366585
  H      -6.869886      4.329807      2.535581
  H      -6.910750      2.689645     -1.713237
  H      -6.118102      0.593547     -2.834654
  H      -4.886052     -1.121437     -1.500277
  H      -4.411652     -0.742268      0.883786
  H      -4.197060     -0.524304      6.241469
  H      -3.124646     -1.161048      7.500324
  H      -5.232270     -0.707272      8.539708
  H      -4.215915      0.699482      9.027192
  H      -8.099896      4.805810      6.538369
  H      -9.889394      3.218086      2.641721
  H      -9.725718      1.067593      1.374544
  H      -8.440114     -0.839910      2.320615
  H      -7.341404     -0.648792      4.527676
  N      -2.580016      3.303285      3.798240
  N      -2.388025      3.155485      2.536559
  H      -2.168927      2.211073      2.180932
  H      -2.655469      3.896256      1.885033
99
Coordinates from ORCA-job orca E -6707.148872193038
  N      -2.751413      3.826840      6.529986
  Mo     -2.627405      2.222340      5.331746
  N      -2.671805      0.797411      6.824829
  C      -1.438233      0.642543      7.583902
  C      -0.661347      1.949037      7.611240
  N      -0.564773      2.520963      6.238088
  C      -0.358928      3.992481      6.261244
  C      -1.602835      4.644894      6.859936
  C       0.488392      1.829945      5.442064
  C      -0.055646      1.647202      4.029066
  N      -1.381397      1.071546      4.119609
  H      -1.705864      5.675013      6.473850
  H      -1.502911      4.733910      7.961512
  H      -0.220369      4.304745      5.218180
  H       0.552076      4.250453      6.829932
  H       0.625500      1.011051      3.436136
  H      -0.108629      2.630626      3.531606
  H       0.670919      0.847530      5.898365
  H       1.428483      2.405184      5.480322
  H      -1.643936      0.351213      8.631767
  H      -0.812497     -0.177102      7.166068
  H      -1.198900      2.668728      8.238966
  H       0.349866      1.811606      8.030834
  C      -3.848034      3.869599      7.468829
  C      -4.557112      5.222462      7.536380
  O      -5.230294      5.508917      6.288210
  C      -4.631650      6.365043      5.446659
  O      -3.584391      6.957487      5.650452
  C      -5.454709      6.558628      4.197674
  N      -6.754515      6.741593      4.374185
  C      -7.490975      6.990561      3.257979
  N      -7.063193      7.042982      2.011431
  C      -5.729789      6.822043      1.815347
  C      -5.221473      6.811080      0.492956
  C      -3.879695      6.587631      0.274662
  C      -2.996547      6.372491      1.361908
  C      -3.461627      6.367733      2.661310
  C      -4.839890      6.587845      2.913405
  C      -1.415493     -0.373684      4.044369
  C      -2.813211     -0.949622      3.789123
  O      -3.584151     -0.210357      2.814832
  C      -4.319666      0.837628      3.282918
  O      -4.209679      1.147348      4.535901
  C      -5.143587      1.555070      2.366012
  N      -5.713298      2.676552      2.896678
  C      -6.409768      3.460724      2.074661
  N      -6.616450      3.321443      0.765525
  C      -6.113016      2.172230      0.211838
  C      -6.361039      1.935686     -1.161235
  C      -5.924851      0.773824     -1.773072
  C      -5.227092     -0.189752     -1.023302
  C      -4.955812      0.022225      0.322227
  C      -5.373028      1.205369      0.975218
  C      -3.628413     -0.246581      7.137778
  C      -4.668822      0.163543      8.182423
  O      -5.591055      1.119018      7.599242
  C      -6.558964      0.591367      6.818227
  O      -6.771759     -0.604911      6.709973
  C      -7.333674      1.665383      6.097624
  N      -7.374051      2.857574      6.678213
  C      -8.088121      3.824570      6.047929
  N      -8.761784      3.710731      4.919317
  C      -8.706113      2.499672      4.295459
  C      -9.356559      2.349223      3.046104
  C      -9.257012      1.161364      2.356538
  C      -8.522252      0.078535      2.894969
  C      -7.898978      0.183441      4.120420
  C      -7.975304      1.396467      4.852623
  H      -3.508342      3.636783      8.504700
  H      -4.599431      3.111950      7.203188
  H      -3.864214      6.041586      7.769377
  H      -5.352859      5.175520      8.291548
  H      -8.558706      7.155779      3.427510
  H      -5.923147      6.969577     -0.326165
  H      -3.489210      6.575259     -0.744298
  H      -1.933806      6.215171      1.166141
  H      -2.786064      6.191181      3.496268
  H      -1.027964     -0.904900      4.944547
  H      -0.755205     -0.669288      3.206073
  H      -3.390136     -1.018146      4.713989
  H      -2.713511     -1.956847      3.362988
  H      -6.874937      4.333996      2.541791
  H      -6.920570      2.696932     -1.707537
  H      -6.128556      0.601632     -2.831737
  H      -4.894555     -1.113945     -1.499718
  H      -4.416267     -0.735874      0.883396
  H      -4.197379     -0.523293      6.240187
  H      -3.123690     -1.164461      7.496129
  H      -5.230010     -0.710642      8.540595
  H      -4.213650      0.696062      9.027488
  H      -8.094628      4.803639      6.533572
  H      -9.892490      3.208982      2.642967
  H      -9.730485      1.056768      1.379053
  H      -8.439714     -0.847894      2.324444
  H      -7.338150     -0.653612      4.529233
  N      -2.580986      3.308209      3.800893
  N      -2.385381      3.151004      2.540838
  H      -2.161749      2.204370      2.193243
  H      -2.650376      3.887479      1.883501
99
Coordinates from ORCA-job orca E -6707.148885440352
  N      -2.750030      3.825545      6.531685
  Mo     -2.625680      2.222456      5.333967
  N      -2.670773      0.796024      6.825366
  C      -1.437629      0.640933      7.585344
  C      -0.660839      1.947517      7.614692
  N      -0.563174      2.521673      6.242512
  C      -0.358017      3.993238      6.268780
  C      -1.603249      4.643829      6.866737
  C       0.490620      1.832269      5.446127
  C      -0.052331      1.652013      4.032445
  N      -1.378431      1.076950      4.120503
  H      -1.706036      5.674477      6.482067
  H      -1.506466      4.730289      7.968750
  H      -0.218682      4.308048      5.226589
  H       0.552339      4.250447      6.838839
  H       0.628969      1.017027      3.438483
  H      -0.105285      2.636359      3.536752
  H       0.673036      0.849234      5.901155
  H       1.430565      2.407679      5.485270
  H      -1.643923      0.348499      8.632759
  H      -0.811634     -0.178088      7.166694
  H      -1.198461      2.666308      8.243361
  H       0.350014      1.808947      8.034828
  C      -3.851851      3.867609      7.464231
  C      -4.562764      5.219392      7.528239
  O      -5.230943      5.504143      6.276816
  C      -4.630427      6.361837      5.437867
  O      -3.583678      6.953825      5.644428
  C      -5.451908      6.556940      4.187960
  N      -6.751547      6.742593      4.362969
  C      -7.485923      6.993158      3.245669
  N      -7.056535      7.045168      1.999717
  C      -5.723304      6.821754      1.805278
  C      -5.212651      6.810938      0.483768
  C      -3.870948      6.585608      0.267618
  C      -2.989749      6.367638      1.356004
  C      -3.457159      6.362591      2.654509
  C      -4.835423      6.585242      2.904411
  C      -1.414218     -0.368350      4.043228
  C      -2.812061     -0.942943      3.784854
  O      -3.581732     -0.201048      2.811494
  C      -4.320048      0.844022      3.282159
  O      -4.208304      1.152481      4.535536
  C      -5.147420      1.560604      2.367909
  N      -5.718754      2.680227      2.900797
  C      -6.417390      3.464269      2.080548
  N      -6.624241      3.326868      0.771124
  C      -6.119907      2.179162      0.215503
  C      -6.368933      1.943797     -1.157668
  C      -5.932441      0.782952     -1.770999
  C      -5.233081     -0.180772     -1.022961
  C      -4.960428      0.030032      0.322457
  C      -5.377981      1.212172      0.977139
  C      -3.627329     -0.248640      7.136345
  C      -4.666318      0.158864      8.183675
  O      -5.590149      1.114720      7.603071
  C      -6.558083      0.587381      6.821859
  O      -6.770768     -0.608936      6.713121
  C      -7.332602      1.661264      6.101191
  N      -7.372184      2.853947      6.680899
  C      -8.087053      3.820447      6.050576
  N      -8.763389      3.705148      4.923861
  C      -8.708175      2.493753      4.300524
  C      -9.361347      2.342232      3.052714
  C      -9.261535      1.154372      2.363068
  C      -8.523555      0.072986      2.899944
  C      -7.898148      0.178900      4.124239
  C      -7.975137      1.391608      4.856819
  H      -3.517390      3.634017      8.501611
  H      -4.601638      3.109507      7.194779
  H      -3.871966      6.039730      7.763348
  H      -5.361768      5.172306      8.279919
  H      -8.553563      7.160509      3.413952
  H      -5.912713      6.971191     -0.336419
  H      -3.478653      6.573767     -0.750672
  H      -1.926988      6.208574      1.161910
  H      -2.783833      6.182894      3.490599
  H      -1.028516     -0.900859      4.943272
  H      -0.752948     -0.663244      3.205434
  H      -3.389901     -1.013287      4.709026
  H      -2.712086     -1.949272      3.356737
  H      -6.884320      4.335800      2.549278
  H      -6.929852      2.705294     -1.702197
  H      -6.136989      0.611577     -2.829626
  H      -4.900411     -1.104391     -1.500430
  H      -4.419454     -0.728144      0.882141
  H      -4.197278     -0.521562      6.238290
  H      -3.122393     -1.167743      7.491347
  H      -5.226266     -0.716302      8.541393
  H      -4.210665      0.690412      9.029019
  H      -8.091594      4.800212      6.534823
  H      -9.899707      3.200849      2.650436
  H      -9.737690      1.048790      1.387057
  H      -8.439646     -0.853278      2.329371
  H      -7.335179     -0.657244      4.531950
  N      -2.580900      3.312869      3.802657
  N      -2.384329      3.147238      2.543753
  H      -2.156922      2.198938      2.202686
  H      -2.646537      3.880525      1.881711
99
Coordinates from ORCA-job orca E -6707.148889033038
  N      -2.750177      3.824727      6.532746
  Mo     -2.625645      2.222429      5.335497
  N      -2.670599      0.795692      6.826548
  C      -1.436987      0.640308      7.585773
  C      -0.660241      1.946977      7.615714
  N      -0.562682      2.522241      6.243995
  C      -0.358342      3.993844      6.271564
  C      -1.604194      4.643496      6.869316
  C       0.490853      1.833788      5.446755
  C      -0.052725      1.654143      4.033199
  N      -1.378832      1.079132      4.121626
  H      -1.707117      5.674203      6.484866
  H      -1.508649      4.729295      7.971452
  H      -0.218584      4.309848      5.229806
  H       0.551653      4.251122      6.842198
  H       0.628230      1.019684      3.438290
  H      -0.106331      2.638695      3.537986
  H       0.673862      0.850512      5.901066
  H       1.430730      2.409350      5.485408
  H      -1.642561      0.346933      8.633049
  H      -0.811222     -0.178126      7.165614
  H      -1.197885      2.665197      8.245034
  H       0.350594      1.808007      8.035788
  C      -3.854168      3.867137      7.462364
  C      -4.566068      5.218651      7.524187
  O      -5.231807      5.502842      6.271149
  C      -4.629860      6.360869      5.433366
  O      -3.583015      6.952051      5.641288
  C      -5.450179      6.557211      4.182824
  N      -6.749526      6.745880      4.357113
  C      -7.482493      6.998225      3.239259
  N      -7.052289      7.049319      1.993594
  C      -5.719536      6.822456      1.799904
  C      -5.207890      6.810260      0.478802
  C      -3.866620      6.581667      0.263590
  C      -2.986592      6.361570      1.352573
  C      -3.455022      6.357840      2.650693
  C      -4.832943      6.583905      2.899572
  C      -1.415495     -0.366185      4.043582
  C      -2.813666     -0.939763      3.783840
  O      -3.582797     -0.196103      2.811436
  C      -4.322777      0.847203      3.283858
  O      -4.209716      1.155072      4.537444
  C      -5.153164      1.562408      2.371601
  N      -5.727031      2.679878      2.906238
  C      -6.427326      3.463703      2.087162
  N      -6.633397      3.328085      0.777403
  C      -6.127538      2.181851      0.220285
  C      -6.376441      1.947459     -1.153128
  C      -5.938858      0.787641     -1.767543
  C      -5.238335     -0.176137     -1.020658
  C      -4.965552      0.033769      0.324871
  C      -5.384074      1.214974      0.980589
  C      -3.626981     -0.249674      7.136263
  C      -4.665062      0.154957      8.185568
  O      -5.590549      1.111229      7.607747
  C      -6.557104      0.584211      6.824689
  O      -6.768422     -0.612129      6.713527
  C      -7.331322      1.658246      6.103822
  N      -7.373809      2.850098      6.685014
  C      -8.088785      3.816408      6.054483
  N      -8.763018      3.701516      4.926535
  C      -8.704208      2.491260      4.301268
  C      -9.353882      2.340810      3.051530
  C      -9.249188      1.154760      2.359417
  C      -8.509957      0.074088      2.895855
  C      -7.888372      0.178792      4.122215
  C      -7.970161      1.389664      4.857285
  H      -3.521774      3.634770      8.500753
  H      -4.603054      3.108244      7.192617
  H      -3.876050      6.039288      7.760455
  H      -5.366772      5.171053      8.273961
  H      -8.549858      7.168069      3.406771
  H      -5.906965      6.971959     -0.341953
  H      -3.473560      6.568918     -0.754391
  H      -1.924106      6.199689      1.159326
  H      -2.783001      6.176165      3.487352
  H      -1.030561     -0.899305      4.943486
  H      -0.754065     -0.660772      3.205808
  H      -3.391999     -1.011366      4.707653
  H      -2.713810     -1.945358      3.353963
  H      -6.896691      4.333174      2.557319
  H      -6.938446      2.708890     -1.696654
  H      -6.143516      0.616913     -2.826242
  H      -4.904802     -1.098977     -1.498985
  H      -4.423525     -0.724292      0.883725
  H      -4.196985     -0.520217      6.237563
  H      -3.121538     -1.169402      7.489039
  H      -5.223773     -0.721521      8.541955
  H      -4.209300      0.685213      9.031586
  H      -8.095782      4.795513      6.540028
  H      -9.893269      3.198921      2.649563
  H      -9.722573      1.050322      1.381932
  H      -8.421892     -0.850844      2.323768
  H      -7.324765     -0.656907      4.529948
  N      -2.582461      3.315182      3.803763
  N      -2.386580      3.145658      2.545263
  H      -2.162768      2.195521      2.206874
  H      -2.648626      3.877331      1.881354
99
Coordinates from ORCA-job orca E -6707.148684657566
  N      -2.746299      3.818778      6.529739
  Mo     -2.614023      2.222565      5.334867
  N      -2.667677      0.794182      6.823860
  C      -1.433800      0.634559      7.582171
  C      -0.656455      1.941195      7.621023
  N      -0.552556      2.524748      6.253439
  C      -0.353826      3.996573      6.291087
  C      -1.606708      4.640431      6.881124
  C       0.502853      1.842654      5.455457
  C      -0.038663      1.665790      4.040474
  N      -1.365187      1.091346      4.126728
  H      -1.708252      5.671496      6.497445
  H      -1.524560      4.722115      7.984397
  H      -0.205390      4.320733      5.253152
  H       0.550680      4.254180      6.870463
  H       0.642529      1.034164      3.442891
  H      -0.094366      2.651153      3.547147
  H       0.688066      0.857978      5.906152
  H       1.442082      2.419292      5.494686
  H      -1.638691      0.333597      8.627301
  H      -0.808781     -0.179769      7.152870
  H      -1.197051      2.655348      8.252585
  H       0.352066      1.798585      8.045549
  C      -3.866789      3.862071      7.436849
  C      -4.587865      5.210671      7.483221
  O      -5.235092      5.491310      6.218415
  C      -4.624868      6.355602      5.391787
  O      -3.581655      6.947082      5.613787
  C      -5.433823      6.558198      4.134444
  N      -6.733382      6.755964      4.299323
  C      -7.454282      7.018319      3.175763
  N      -7.013951      7.071494      1.934017
  C      -5.681953      6.832658      1.749889
  C      -5.158231      6.819835      0.433631
  C      -3.817317      6.580628      0.229227
  C      -2.947888      6.349557      1.324975
  C      -3.428383      6.346446      2.618544
  C      -4.806686      6.583501      2.855804
  C      -1.407994     -0.354059      4.044873
  C      -2.807395     -0.919350      3.767727
  O      -3.565140     -0.163239      2.796364
  C      -4.316865      0.870606      3.274183
  O      -4.204851      1.174583      4.530127
  C      -5.154375      1.581039      2.367141
  N      -5.741630      2.688881      2.906839
  C      -6.436782      3.477496      2.087727
  N      -6.623662      3.355990      0.773572
  C      -6.111819      2.214952      0.212285
  C      -6.346367      1.989155     -1.165456
  C      -5.904913      0.832226     -1.782012
  C      -5.213647     -0.138181     -1.035020
  C      -4.953363      0.063468      0.314226
  C      -5.375306      1.242204      0.971922
  C      -3.626150     -0.253638      7.123261
  C      -4.654122      0.130308      8.189902
  O      -5.597190      1.086768      7.637304
  C      -6.566346      0.557605      6.859458
  O      -6.773263     -0.639233      6.745424
  C      -7.359353      1.628971      6.154265
  N      -7.405054      2.817941      6.740947
  C      -8.141500      3.778728      6.126720
  N      -8.836847      3.659844      5.012538
  C      -8.772334      2.454169      4.378742
  C      -9.438354      2.303324      3.137895
  C      -9.322017      1.126075      2.432206
  C      -8.556741      0.053996      2.947839
  C      -7.921743      0.157848      4.167494
  C      -8.012563      1.360355      4.914986
  H      -3.550314      3.639266      8.482849
  H      -4.607651      3.096525      7.164058
  H      -3.905237      6.034239      7.729837
  H      -5.401460      5.156493      8.218049
  H      -8.521881      7.195111      3.334186
  H      -5.848532      6.988500     -0.393195
  H      -3.414917      6.568418     -0.785074
  H      -1.885281      6.177843      1.141217
  H      -2.767132      6.154408      3.461096
  H      -1.034194     -0.890785      4.946613
  H      -0.740776     -0.647906      3.211469
  H      -3.395341     -0.997936      4.685193
  H      -2.706925     -1.920222      3.327015
  H      -6.920392      4.336889      2.562153
  H      -6.902615      2.755080     -1.708775
  H      -6.099919      0.667528     -2.843413
  H      -4.877092     -1.058722     -1.515293
  H      -4.417386     -0.698552      0.873751
  H      -4.198024     -0.504969      6.220497
  H      -3.118756     -1.179164      7.458520
  H      -5.200558     -0.756138      8.540258
  H      -4.194146      0.652627      9.038015
  H      -8.151673      4.755678      6.616490
  H      -9.998188      3.155120      2.750830
  H      -9.807741      1.023697      1.460526
  H      -8.458729     -0.865056      2.368078
  H      -7.340836     -0.672139      4.562349
  N      -2.570495      3.330925      3.801454
  N      -2.377701      3.142280      2.545056
  H      -2.177904      2.182315      2.219641
  H      -2.639061      3.866085      1.872154
99
Coordinates from ORCA-job orca E -6707.148888842456
  N      -2.751404      3.820024      6.535277
  Mo     -2.623259      2.221252      5.337517
  N      -2.668199      0.791715      6.825792
  C      -1.434884      0.635280      7.585197
  C      -0.659766      1.942814      7.619793
  N      -0.561162      2.522848      6.250241
  C      -0.359887      3.994637      6.283352
  C      -1.608804      4.640197      6.879117
  C       0.493975      1.838921      5.451826
  C      -0.047975      1.663518      4.037082
  N      -1.373649      1.086722      4.122290
  H      -1.712256      5.671706      6.496984
  H      -1.518226      4.722707      7.981895
  H      -0.217294      4.314800      5.243270
  H       0.547832      4.251990      6.857622
  H       0.634062      1.032284      3.440007
  H      -0.103024      2.649582      3.545121
  H       0.678048      0.854196      5.902606
  H       1.433234      2.415340      5.492971
  H      -1.640664      0.338496      8.631459
  H      -0.808133     -0.180972      7.162253
  H      -1.199409      2.658171      8.250743
  H       0.350572      1.803740      8.041057
  C      -3.863182      3.861144      7.455031
  C      -4.579357      5.210971      7.510595
  O      -5.237755      5.493367      6.252949
  C      -4.632075      6.352628      5.418843
  O      -3.585416      6.942284      5.631467
  C      -5.448478      6.553345      4.166323
  N      -6.747026      6.750205      4.338306
  C      -7.475745      7.009087      3.219101
  N      -7.042759      7.058786      1.974408
  C      -5.711343      6.822422      1.783064
  C      -5.196831      6.807786      0.463130
  C      -3.856622      6.570689      0.250609
  C      -2.980193      6.344448      1.341335
  C      -3.451533      6.343010      2.638385
  C      -4.828610      6.577440      2.884325
  C      -1.409741     -0.358535      4.038630
  C      -2.807184     -0.931463      3.772464
  O      -3.574744     -0.182895      2.802699
  C      -4.320303      0.854572      3.280106
  O      -4.207158      1.158220      4.534991
  C      -5.154351      1.569758      2.371861
  N      -5.732458      2.682595      2.911470
  C      -6.432731      3.469393      2.095135
  N      -6.634568      3.341026      0.784002
  C      -6.126329      2.198245      0.222095
  C      -6.372254      1.969935     -1.152955
  C      -5.932997      0.813092     -1.771684
  C      -5.233601     -0.154032     -1.028026
  C      -4.963386      0.050036      0.318922
  C      -5.383312      1.228330      0.978837
  C      -3.626416     -0.252578      7.134180
  C      -4.659873      0.150360      8.188493
  O      -5.587254      1.108822      7.616386
  C      -6.558608      0.582630      6.838864
  O      -6.775460     -0.613201      6.733182
  C      -7.330633      1.656344      6.114883
  N      -7.363128      2.852628      6.687475
  C      -8.077034      3.818036      6.054281
  N      -8.759343      3.698412      4.931774
  C      -8.710143      2.483542      4.314577
  C      -9.367651      2.327556      3.069696
  C      -9.271138      1.136862      2.384265
  C      -8.533467      0.056675      2.923491
  C      -7.905249      0.166579      4.146045
  C      -7.977761      1.382479      4.873726
  H      -3.538248      3.631217      8.496414
  H      -4.607938      3.099357      7.181703
  H      -3.892693      6.033108      7.751137
  H      -5.385143      5.160799      8.254640
  H      -8.542111      7.187086      3.384466
  H      -5.892978      6.974430     -0.359136
  H      -3.461323      6.556228     -0.766474
  H      -1.918370      6.175632      1.150388
  H      -2.782842      6.156011      3.476449
  H      -1.026858     -0.894655      4.937407
  H      -0.746280     -0.649204      3.201125
  H      -3.387883     -1.008947      4.694354
  H      -2.705364     -1.934259      3.336494
  H      -6.905803      4.334729      2.569295
  H      -6.933790      2.733590     -1.693883
  H      -6.135700      0.646899     -2.831474
  H      -4.898786     -1.074541     -1.509838
  H      -4.422046     -0.710262      0.875443
  H      -4.198568     -0.517411      6.235209
  H      -3.122112     -1.174765      7.482361
  H      -5.217660     -0.726617      8.544988
  H      -4.200625      0.678525      9.033828
  H      -8.076031      4.800750      6.532651
  H      -9.905712      3.185227      2.665028
  H      -9.750070      1.028606      1.409861
  H      -8.452003     -0.872540      2.357411
  H      -7.343645     -0.669000      4.556798
  N      -2.582119      3.321577      3.806268
  N      -2.383037      3.141656      2.549624
  H      -2.147011      2.190797      2.221160
  H      -2.646496      3.866274      1.878461
99
Coordinates from ORCA-job orca E -6707.148763072495
  N      -2.741904      3.834299      6.533958
  Mo     -2.630577      2.226355      5.341866
  N      -2.671404      0.801204      6.834765
  C      -1.437005      0.646340      7.592544
  C      -0.658028      1.951436      7.616103
  N      -0.563440      2.520115      6.241470
  C      -0.351076      3.990660      6.261756
  C      -1.590779      4.648514      6.862473
  C       0.484455      1.823412      5.443436
  C      -0.063647      1.643598      4.031700
  N      -1.392103      1.074017      4.124245
  H      -1.690875      5.678621      6.475596
  H      -1.489079      4.737840      7.963922
  H      -0.214374      4.300864      5.217809
  H       0.562499      4.245600      6.827659
  H       0.613056      1.004439      3.436972
  H      -0.113355      2.627354      3.534591
  H       0.662975      0.840268      5.899681
  H       1.427504      2.393929      5.479427
  H      -1.641349      0.356777      8.641182
  H      -0.812781     -0.174714      7.175326
  H      -1.192681      2.673498      8.243625
  H       0.353897      1.812763      8.033598
  C      -3.843600      3.887497      7.466214
  C      -4.546740      5.243491      7.522614
  O      -5.211812      5.526666      6.269445
  C      -4.609656      6.382883      5.430491
  O      -3.564676      6.977368      5.639730
  C      -5.429653      6.579543      4.179985
  N      -6.730563      6.756956      4.353968
  C      -7.465098      7.007886      3.236878
  N      -7.034303      7.066843      1.991653
  C      -5.699424      6.852752      1.798242
  C      -5.187237      6.851210      0.477282
  C      -3.843570      6.636503      0.261989
  C      -2.962492      6.420729      1.350747
  C      -3.431321      6.406338      2.648729
  C      -4.811452      6.617656      2.897704
  C      -1.432299     -0.371429      4.049694
  C      -2.833227     -0.942960      3.802731
  O      -3.606783     -0.203170      2.830804
  C      -4.338422      0.846316      3.301606
  O      -4.219621      1.157663      4.553278
  C      -5.165850      1.564866      2.388604
  N      -5.725512      2.691303      2.919746
  C      -6.423420      3.476792      2.100158
  N      -6.640093      3.334490      0.792959
  C      -6.146500      2.180984      0.239256
  C      -6.405267      1.941931     -1.131380
  C      -5.979606      0.775984     -1.742838
  C      -5.282064     -0.189202     -0.994939
  C      -5.000279      0.025168      0.348060
  C      -5.406539      1.212407      1.000486
  C      -3.622540     -0.249107      7.142780
  C      -4.669695      0.151608      8.184456
  O      -5.599778      1.096525      7.596832
  C      -6.554154      0.558264      6.806257
  O      -6.746689     -0.640635      6.689117
  C      -7.341637      1.624129      6.087808
  N      -7.411173      2.809363      6.679673
  C      -8.139091      3.768072      6.052559
  N      -8.800008      3.652077      4.916671
  C      -8.713718      2.448898      4.281087
  C      -9.349795      2.298072      3.024381
  C      -9.219716      1.119672      2.323789
  C      -8.467301      0.046752      2.857769
  C      -7.857288      0.151708      4.089893
  C      -7.965884      1.354997      4.834000
  H      -3.511103      3.656695      8.504708
  H      -4.597197      3.132294      7.199419
  H      -3.851734      6.060972      7.755230
  H      -5.346940      5.204174      8.273594
  H      -8.533746      7.169415      3.404530
  H      -5.887276      7.010639     -0.343062
  H      -3.449977      6.631607     -0.755859
  H      -1.898266      6.270888      1.157214
  H      -2.757309      6.228124      3.484653
  H      -1.042049     -0.902798      4.948480
  H      -0.777300     -0.670192      3.208404
  H      -3.405294     -1.007622      4.731006
  H      -2.738964     -1.951516      3.378538
  H      -6.879438      4.354851      2.567613
  H      -6.964412      2.704656     -1.675977
  H      -6.191356      0.601954     -2.799646
  H      -4.958115     -1.116748     -1.470853
  H      -4.461254     -0.734342      0.907793
  H      -4.187112     -0.527481      6.242767
  H      -3.113202     -1.164771      7.500243
  H      -5.223339     -0.727658      8.541895
  H      -4.222345      0.689581      9.030329
  H      -8.168300      4.742235      6.547197
  H      -9.899682      3.150773      2.625063
  H      -9.682366      1.015401      1.341136
  H      -8.360024     -0.871528      2.278227
  H      -7.282199     -0.677609      4.494596
  N      -2.590844      3.311024      3.806016
  N      -2.396046      3.132977      2.548566
  H      -2.167069      2.181160      2.217399
  H      -2.654833      3.861097      1.879479
99
Coordinates from ORCA-job orca E -6707.148862526871
  N      -2.747864      3.830089      6.537056
  Mo     -2.626078      2.229092      5.338425
  N      -2.668987      0.800113      6.827485
  C      -1.434719      0.643447      7.585158
  C      -0.658086      1.950127      7.615915
  N      -0.561868      2.526478      6.244600
  C      -0.356393      3.997854      6.272934
  C      -1.601047      4.647894      6.872526
  C       0.490045      1.837937      5.445377
  C      -0.055147      1.661170      4.032097
  N      -1.381689      1.086728      4.121116
  H      -1.703942      5.679087      6.489287
  H      -1.503831      4.732923      7.974642
  H      -0.217016      4.314265      5.231239
  H       0.554080      4.254270      6.843229
  H       0.624655      1.027037      3.435533
  H      -0.108294      2.646513      3.538496
  H       0.672273      0.853603      5.897679
  H       1.430766      2.412091      5.484525
  H      -1.639196      0.348598      8.632255
  H      -0.809214     -0.174398      7.163489
  H      -1.195777      2.667687      8.246018
  H       0.353132      1.811415      8.035128
  C      -3.851901      3.874245      7.466472
  C      -4.563164      5.226292      7.525721
  O      -5.228686      5.508704      6.272350
  C      -4.624532      6.362015      5.431632
  O      -3.574236      6.948508      5.636237
  C      -5.441064      6.553579      4.178000
  N      -6.739834      6.749928      4.348362
  C      -7.469365      6.998082      3.227330
  N      -7.036611      7.036734      1.982035
  C      -5.704801      6.800976      1.792655
  C      -5.191164      6.774680      0.472548
  C      -3.850646      6.537310      0.261572
  C      -2.973680      6.322795      1.354051
  C      -3.444078      6.333019      2.651447
  C      -4.821331      6.567503      2.895941
  C      -1.418985     -0.358360      4.038338
  C      -2.817857     -0.930533      3.779390
  O      -3.588437     -0.183681      2.810568
  C      -4.327162      0.858428      3.287532
  O      -4.212174      1.162146      4.541791
  C      -5.157344      1.578093      2.378590
  N      -5.727356      2.695536      2.917381
  C      -6.426458      3.484004      2.101645
  N      -6.634890      3.352885      0.791901
  C      -6.132890      2.206834      0.230575
  C      -6.384470      1.977303     -1.143118
  C      -5.951028      0.818061     -1.761689
  C      -5.252387     -0.150116     -1.018667
  C      -4.977185      0.055074      0.327121
  C      -5.391249      1.235574      0.986727
  C      -3.625092     -0.245578      7.136722
  C      -4.664587      0.158655      8.184542
  O      -5.592945      1.110522      7.604119
  C      -6.556490      0.577551      6.821326
  O      -6.761689     -0.619968      6.711790
  C      -7.338354      1.646523      6.100936
  N      -7.390850      2.837247      6.683528
  C      -8.113878      3.798267      6.054207
  N      -8.785702      3.679731      4.925089
  C      -8.716444      2.470826      4.298358
  C      -9.363209      2.316723      3.047565
  C      -9.249197      1.132064      2.354624
  C      -8.503502      0.055953      2.891281
  C      -7.883972      0.164167      4.118392
  C      -7.974986      1.374057      4.854058
  H      -3.519702      3.644240      8.505435
  H      -4.600562      3.114600      7.198071
  H      -3.872313      6.046531      7.760744
  H      -5.363840      5.179898      8.275620
  H      -8.536003      7.175704      3.391401
  H      -5.887936      6.933094     -0.350794
  H      -3.456055      6.513366     -0.755607
  H      -1.911683      6.154051      1.164004
  H      -2.773918      6.156436      3.490751
  H      -1.032609     -0.894383      4.935887
  H      -0.759215     -0.650569      3.198485
  H      -3.394724     -1.004867      4.703895
  H      -2.719225     -1.934793      3.346068
  H      -6.892438      4.353333      2.575486
  H      -6.945016      2.741745     -1.683907
  H      -6.157698      0.651170     -2.820625
  H      -4.922292     -1.072426     -1.500388
  H      -4.436926     -0.706282      0.883230
  H      -4.193872     -0.517437      6.237612
  H      -3.119420     -1.164817      7.490443
  H      -5.220971     -0.718601      8.542607
  H      -4.210320      0.692197      9.029357
  H      -8.130456      4.776412      6.541531
  H      -9.907973      3.171526      2.645762
  H      -9.719966      1.025328      1.376094
  H      -8.408895     -0.867953      2.318559
  H      -7.314944     -0.667805      4.526196
  N      -2.586124      3.323019      3.807151
  N      -2.390077      3.150988      2.548997
  H      -2.171555      2.198668      2.212752
  H      -2.647923      3.882549      1.883367
99
Coordinates from ORCA-job orca E -6707.148370341049
  N      -2.738375      3.798267      6.521712
  Mo     -2.604735      2.198174      5.328964
  N      -2.671676      0.780585      6.827798
  C      -1.441238      0.617267      7.590548
  C      -0.656375      1.919730      7.623021
  N      -0.546549      2.495488      6.252609
  C      -0.343448      3.967054      6.282075
  C      -1.595131      4.617662      6.867803
  C       0.509653      1.805711      5.461966
  C      -0.027489      1.622602      4.046271
  N      -1.355407      1.051624      4.132219
  H      -1.693560      5.647702      6.480526
  H      -1.511432      4.704107      7.970665
  H      -0.192198      4.284450      5.242441
  H       0.560713      4.225245      6.861736
  H       0.654285      0.985640      3.455030
  H      -0.078417      2.605391      3.547315
  H       0.690224      0.822848      5.918433
  H       1.450434      2.379735      5.502273
  H      -1.651622      0.325931      8.637325
  H      -0.820399     -0.204882      7.170102
  H      -1.195191      2.640395      8.248635
  H       0.350429      1.775278      8.050898
  C      -3.847324      3.836488      7.443816
  C      -4.569149      5.184288      7.506221
  O      -5.239436      5.469219      6.254720
  C      -4.647111      6.341091      5.423425
  O      -3.607923      6.943258      5.636738
  C      -5.482182      6.557395      4.185699
  N      -6.781171      6.732322      4.378873
  C      -7.527238      7.008104      3.275268
  N      -7.111320      7.094187      2.026915
  C      -5.779585      6.880523      1.812900
  C      -5.281530      6.905334      0.486897
  C      -3.941125      6.692879      0.251648
  C      -3.047411      6.452140      1.325411
  C      -3.502519      6.411887      2.627603
  C      -4.879607      6.620808      2.896507
  C      -1.401192     -0.393440      4.052233
  C      -2.800482     -0.955547      3.769077
  O      -3.552302     -0.198228      2.793844
  C      -4.299840      0.840812      3.266529
  O      -4.194261      1.145405      4.522580
  C      -5.128890      1.554272      2.353539
  N      -5.715656      2.664230      2.889208
  C      -6.408707      3.451441      2.066873
  N      -6.594384      3.326216      0.753017
  C      -6.081609      2.183680      0.195377
  C      -6.314722      1.954430     -1.181918
  C      -5.872076      0.796126     -1.795214
  C      -5.181444     -0.172229     -1.044933
  C      -4.923187      0.032737      0.304219
  C      -5.346424      1.212870      0.958474
  C      -3.650414     -0.240664      7.150269
  C      -4.671274      0.197422      8.202420
  O      -5.584636      1.164643      7.619845
  C      -6.575118      0.640118      6.866291
  O      -6.826725     -0.551900      6.803015
  C      -7.320079      1.707661      6.105134
  N      -7.310710      2.927403      6.626906
  C      -8.000668      3.886702      5.958856
  N      -8.696995      3.741167      4.848115
  C      -8.689619      2.500794      4.281707
  C      -9.360432      2.313366      3.048350
  C      -9.304100      1.093110      2.411883
  C      -8.596409      0.014151      2.991567
  C      -7.957077      0.155551      4.205118
  C      -7.986092      1.402460      4.881431
  H      -3.516559      3.611352      8.484859
  H      -4.590142      3.070048      7.177722
  H      -3.883175      6.007503      7.744508
  H      -5.369169      5.126448      8.255552
  H      -8.593925      7.166563      3.457464
  H      -5.990285      7.081350     -0.322563
  H      -3.558431      6.709661     -0.770179
  H      -1.985841      6.302644      1.117687
  H      -2.821433      6.212902      3.452497
  H      -1.032629     -0.930717      4.956057
  H      -0.730948     -0.689980      3.222246
  H      -3.392706     -1.032190      4.683547
  H      -2.700808     -1.957050      3.329610
  H      -6.891128      4.313251      2.538208
  H      -6.870392      2.718500     -1.728399
  H      -6.065748      0.628951     -2.856484
  H      -4.844039     -1.093715     -1.522820
  H      -4.388125     -0.727876      0.866535
  H      -4.226967     -0.503572      6.254104
  H      -3.163866     -1.167800      7.510822
  H      -5.242907     -0.664081      8.574287
  H      -4.199200      0.729965      9.037497
  H      -7.969052      4.887640      6.396825
  H      -9.875794      3.169193      2.611577
  H      -9.792919      0.959992      1.445486
  H      -8.546724     -0.940510      2.465667
  H      -7.420223     -0.679174      4.649363
  N      -2.546732      3.296070      3.794079
  N      -2.347567      3.116606      2.537422
  H      -2.126513      2.163671      2.206290
  H      -2.603104      3.844972      1.867082
99
Coordinates from ORCA-job orca E -6707.148861215404
  N      -2.763135      3.820743      6.530187
  Mo     -2.629192      2.222193      5.331932
  N      -2.667543      0.792363      6.820298
  C      -1.432174      0.639433      7.577014
  C      -0.662243      1.949993      7.611954
  N      -0.567616      2.531138      6.242631
  C      -0.371914      4.003612      6.275871
  C      -1.622685      4.644594      6.872676
  C       0.489401      1.851560      5.442849
  C      -0.053798      1.672523      4.028995
  N      -1.376738      1.090003      4.117332
  H      -1.729987      5.675770      6.490635
  H      -1.531170      4.727790      7.975351
  H      -0.231106      4.324233      5.235682
  H       0.535129      4.264405      6.849682
  H       0.630115      1.043396      3.431861
  H      -0.113614      2.657828      3.536034
  H       0.678512      0.867883      5.893836
  H       1.426170      2.432119      5.482603
  H      -1.634774      0.340336      8.623236
  H      -0.802958     -0.173776      7.151869
  H      -1.204204      2.662711      8.243867
  H       0.349167      1.814907      8.031924
  C      -3.875154      3.860752      7.449723
  C      -4.590106      5.211163      7.506100
  O      -5.240929      5.498445      6.245907
  C      -4.628992      6.359912      5.418895
  O      -3.583351      6.948115      5.640950
  C      -5.433122      6.561653      4.158739
  N      -6.734256      6.752435      4.317599
  C      -7.452506      7.010670      3.191538
  N      -7.006831      7.064678      1.951467
  C      -5.672374      6.835161      1.773541
  C      -5.144313      6.825524      0.458940
  C      -3.800898      6.594808      0.259743
  C      -2.934864      6.370228      1.359020
  C      -3.419399      6.364267      2.651186
  C      -4.800017      6.591723      2.883417
  C      -1.406973     -0.355280      4.034211
  C      -2.802496     -0.933682      3.769702
  O      -3.573719     -0.188485      2.800146
  C      -4.322201      0.846904      3.277263
  O      -4.210270      1.151292      4.531960
  C      -5.159595      1.558105      2.368724
  N      -5.743044      2.668285      2.907995
  C      -6.449003      3.450259      2.091856
  N      -6.652173      3.319340      0.781243
  C      -6.138081      2.178946      0.219742
  C      -6.384940      1.947801     -1.154627
  C      -5.940275      0.792682     -1.772781
  C      -5.234536     -0.169817     -1.029081
  C      -4.963348      0.037285      0.317213
  C      -5.388555      1.214080      0.976355
  C      -3.621285     -0.255666      7.129866
  C      -4.653737      0.141056      8.187586
  O      -5.587576      1.096522      7.621017
  C      -6.557713      0.568375      6.843191
  O      -6.765635     -0.628313      6.729387
  C      -7.343554      1.641588      6.133673
  N      -7.388388      2.830203      6.721123
  C      -8.114790      3.795080      6.101601
  N      -8.796736      3.682085      4.978078
  C      -8.734819      2.475677      4.345709
  C      -9.391098      2.328400      3.099100
  C      -9.283736      1.146871      2.399616
  C      -8.535806      0.067237      2.925758
  C      -7.907159      0.168879      4.148845
  C      -7.990661      1.375445      4.890769
  H      -3.551238      3.630037      8.491249
  H      -4.619802      3.099550      7.174424
  H      -3.903442      6.031515      7.752646
  H      -5.399524      5.159645      8.246114
  H      -8.521495      7.182627      3.346020
  H      -5.832674      6.990812     -0.370112
  H      -3.395156      6.584019     -0.753262
  H      -1.870353      6.206771      1.178697
  H      -2.758162      6.179977      3.495791
  H      -1.021283     -0.889470      4.933000
  H      -0.743094     -0.643915      3.196373
  H      -3.382134     -1.012989      4.692147
  H      -2.697374     -1.936335      3.334187
  H      -6.926569      4.313068      2.566066
  H      -6.951577      2.707527     -1.695751
  H      -6.143687      0.624272     -2.832089
  H      -4.895640     -1.089072     -1.510465
  H      -4.417240     -0.719458      0.873914
  H      -4.194517     -0.522103      6.232067
  H      -3.112500     -1.176289      7.475503
  H      -5.206486     -0.739070      8.544151
  H      -4.194070      0.669530      9.032520
  H      -8.125223      4.771386      6.592783
  H      -9.937591      3.185713      2.705120
  H      -9.762205      1.045572      1.424252
  H      -8.446428     -0.854412      2.348598
  H      -7.337047     -0.665972      4.549177
  N      -2.591981      3.320759      3.800605
  N      -2.393239      3.144775      2.543316
  H      -2.146845      2.197410      2.212582
  H      -2.660767      3.868979      1.873423
99
Coordinates from ORCA-job orca E -6707.148711261566
  N      -2.731180      3.827561      6.541214
  Mo     -2.616232      2.221902      5.349462
  N      -2.668551      0.794808      6.839810
  C      -1.436903      0.634759      7.601035
  C      -0.655518      1.938625      7.632051
  N      -0.552196      2.510845      6.259507
  C      -0.338518      3.981136      6.284130
  C      -1.581126      4.640062      6.877942
  C       0.497405      1.813735      5.464789
  C      -0.045559      1.635919      4.050734
  N      -1.376201      1.070427      4.138144
  H      -1.677117      5.670640      6.491552
  H      -1.486887      4.727470      7.980154
  H      -0.194077      4.293759      5.241977
  H       0.571623      4.234170      6.856476
  H       0.631480      0.995541      3.457738
  H      -0.091176      2.619968      3.553885
  H       0.672618      0.829669      5.920420
  H       1.441505      2.382281      5.504339
  H      -1.644792      0.341117      8.647791
  H      -0.812985     -0.185179      7.181189
  H      -1.192659      2.659778      8.258626
  H       0.353680      1.796750      8.055071
  C      -3.838149      3.880194      7.466625
  C      -4.552427      5.231494      7.514066
  O      -5.227130      5.499534      6.262089
  C      -4.636288      6.350888      5.409928
  O      -3.592167      6.951834      5.603953
  C      -5.474714      6.541480      4.170549
  N      -6.770745      6.735133      4.363714
  C      -7.519930      6.985087      3.256070
  N      -7.108999      7.026974      2.003494
  C      -5.780612      6.792213      1.790546
  C      -5.289790      6.769550      0.461680
  C      -3.952301      6.537106      0.227216
  C      -3.055684      6.324750      1.304109
  C      -3.503663      6.331159      2.609463
  C      -4.877401      6.559628      2.877985
  C      -1.423672     -0.374644      4.058327
  C      -2.826371     -0.937251      3.798410
  O      -3.589519     -0.187399      2.825976
  C      -4.324129      0.858993      3.300006
  O      -4.208561      1.164338      4.553711
  C      -5.145841      1.585287      2.388878
  N      -5.701367      2.711460      2.924750
  C      -6.385914      3.509523      2.106088
  N      -6.591507      3.380452      0.795638
  C      -6.104804      2.226416      0.237021
  C      -6.354509      1.999731     -1.137493
  C      -5.935738      0.833917     -1.753780
  C      -5.253803     -0.143799     -1.007753
  C      -4.980423      0.058280      0.338908
  C      -5.380038      1.244920      0.996414
  C      -3.625892     -0.252154      7.141027
  C      -4.670439      0.146791      8.185663
  O      -5.594405      1.103121      7.605750
  C      -6.553809      0.577910      6.812808
  O      -6.761336     -0.618145      6.692417
  C      -7.323054      1.654740      6.090733
  N      -7.372398      2.842945      6.678691
  C      -8.082670      3.812217      6.047673
  N      -8.743860      3.704481      4.911271
  C      -8.676958      2.498307      4.278907
  C      -9.313043      2.355053      3.021404
  C      -9.200686      1.173198      2.323432
  C      -8.467366      0.089239      2.861389
  C      -7.859116      0.186670      4.094985
  C      -7.948982      1.393274      4.836159
  H      -3.508097      3.658689      8.508096
  H      -4.585344      3.117665      7.203390
  H      -3.862970      6.056024      7.737791
  H      -5.349596      5.189971      8.268025
  H      -8.583381      7.163343      3.439231
  H      -6.001046      6.927879     -0.349244
  H      -3.575162      6.516566     -0.796651
  H      -1.996479      6.160614      1.095527
  H      -2.818443      6.156691      3.436897
  H      -1.042958     -0.911031      4.957986
  H      -0.764423     -0.673583      3.220469
  H      -3.405531     -1.004689      4.722284
  H      -2.734243     -1.943371      3.367965
  H      -6.839447      4.386687      2.577738
  H      -6.901711      2.771989     -1.680834
  H      -6.140900      0.669398     -2.813401
  H      -4.935279     -1.071029     -1.487813
  H      -4.453005     -0.710306      0.897332
  H      -4.189815     -0.520400      6.237564
  H      -3.121727     -1.172777      7.493413
  H      -5.229503     -0.731947      8.535793
  H      -4.220201      0.675299      9.035804
  H      -8.095403      4.788393      6.539262
  H      -9.848197      3.215620      2.618974
  H      -9.662740      1.074908      1.339855
  H      -8.373566     -0.832338      2.284790
  H      -7.299841     -0.651362      4.503917
  N      -2.569051      3.310882      3.812969
  N      -2.373870      3.126964      2.556505
  H      -2.169948      2.168547      2.227896
  H      -2.619262      3.857368      1.884905
99
Coordinates from ORCA-job orca E -6707.148886566155
  N      -2.751953      3.825231      6.536744
  Mo     -2.624786      2.226061      5.337875
  N      -2.665923      0.794841      6.824688
  C      -1.431864      0.639400      7.582894
  C      -0.658909      1.948150      7.617572
  N      -0.562236      2.527734      6.247675
  C      -0.360672      3.999499      6.279694
  C      -1.608359      4.645113      6.877644
  C       0.492375      1.843502      5.448419
  C      -0.050810      1.667549      4.034231
  N      -1.376156      1.089908      4.120991
  H      -1.712701      5.676841      6.496286
  H      -1.514677      4.727838      7.980256
  H      -0.219644      4.318665      5.239066
  H       0.547776      4.257107      6.852687
  H       0.631047      1.035925      3.437380
  H      -0.105933      2.653451      3.541981
  H       0.676756      0.858879      5.899208
  H       1.431559      2.420037      5.489443
  H      -1.636246      0.341304      8.629081
  H      -0.803854     -0.175560      7.159389
  H      -1.199648      2.662835      8.248396
  H       0.352029      1.811320      8.038102
  C      -3.862128      3.867769      7.458618
  C      -4.578522      5.217393      7.511135
  O      -5.234778      5.496930      6.252141
  C      -4.629810      6.357042      5.418884
  O      -3.587509      6.953325      5.635611
  C      -5.437749      6.547656      4.159528
  N      -6.740021      6.728376      4.320254
  C      -7.462690      6.976720      3.194832
  N      -7.019754      7.030108      1.953668
  C      -5.683752      6.811338      1.773984
  C      -5.158328      6.802353      0.458293
  C      -3.813329      6.582512      0.257145
  C      -2.943487      6.368606      1.355441
  C      -3.425319      6.361975      2.648658
  C      -4.807284      6.578548      2.882980
  C      -1.410807     -0.355095      4.034789
  C      -2.808292     -0.929280      3.772425
  O      -3.579507     -0.181388      2.804846
  C      -4.323536      0.855847      3.284517
  O      -4.208819      1.157715      4.539304
  C      -5.160529      1.571131      2.378572
  N      -5.739108      2.682486      2.920872
  C      -6.446889      3.466363      2.108174
  N      -6.656752      3.336082      0.798568
  C      -6.146379      2.195363      0.234008
  C      -6.399069      1.966052     -1.139537
  C      -5.957759      0.811279     -1.760900
  C      -5.249846     -0.152574     -1.021014
  C      -4.973250      0.052721      0.324473
  C      -5.395022      1.228975      0.986728
  C      -3.621166     -0.252166      7.132088
  C      -4.658778      0.148688      8.183018
  O      -5.588028      1.102979      7.607805
  C      -6.556333      0.573048      6.828918
  O      -6.766594     -0.623722      6.720848
  C      -7.337814      1.644664      6.111977
  N      -7.380429      2.836661      6.692838
  C      -8.102740      3.800228      6.066592
  N      -8.782383      3.683320      4.942049
  C      -8.723397      2.472996      4.316987
  C      -9.379396      2.319959      3.070914
  C      -9.276640      1.133252      2.379694
  C      -8.533496      0.054051      2.913628
  C      -7.905177      0.161298      4.136333
  C      -7.984192      1.373289      4.869904
  H      -3.536253      3.640038      8.500063
  H      -4.606476      3.105244      7.186440
  H      -3.892481      6.040151      7.751334
  H      -5.385110      5.168200      8.254485
  H      -8.532631      7.141109      3.350983
  H      -5.849645      6.959911     -0.369794
  H      -3.409588      6.572017     -0.756665
  H      -1.877987      6.213700      1.173346
  H      -2.760670      6.185362      3.492252
  H      -1.024841     -0.892223      4.931788
  H      -0.749249     -0.644159      3.195286
  H      -3.386141     -1.007603      4.696030
  H      -2.706900     -1.932052      3.336277
  H      -6.919000      4.330980      2.584710
  H      -6.967005      2.726805     -1.677820
  H      -6.165450      0.644405     -2.819639
  H      -4.913577     -1.071484     -1.504933
  H      -4.425634     -0.705114      0.878235
  H      -4.190950     -0.521010      6.232701
  H      -3.114772     -1.172421      7.482259
  H      -5.214629     -0.729544      8.539514
  H      -4.202710      0.679559      9.028533
  H      -8.111877      4.779061      6.552827
  H      -9.922254      3.176881      2.671051
  H      -9.754543      1.027236      1.404541
  H      -8.448052     -0.871684      2.342430
  H      -7.338461     -0.673160      4.542314
  N      -2.587070      3.323155      3.806774
  N      -2.389527      3.146811      2.549573
  H      -2.167105      2.193951      2.217157
  H      -2.644710      3.876677      1.881022
99
Coordinates from ORCA-job orca E -6707.148833016595
  N      -2.747982      3.818486      6.533400
  Mo     -2.620140      2.219670      5.336651
  N      -2.669564      0.791361      6.825797
  C      -1.436272      0.632897      7.584969
  C      -0.659686      1.939726      7.620706
  N      -0.558515      2.519596      6.251224
  C      -0.356075      3.991171      6.283968
  C      -1.605062      4.637785      6.878261
  C       0.496383      1.834355      5.453798
  C      -0.045656      1.655899      4.039406
  N      -1.371624      1.080666      4.127257
  H      -1.707215      5.669423      6.495990
  H      -1.515650      4.720097      7.981147
  H      -0.211883      4.311048      5.244032
  H       0.551073      4.248192      6.859328
  H       0.635666      1.022248      3.444137
  H      -0.100143      2.640559      3.544467
  H       0.680254      0.850389      5.906340
  H       1.435836      2.410544      5.493683
  H      -1.642029      0.334995      8.630887
  H      -0.810355     -0.183290      7.160608
  H      -1.199744      2.655543      8.250773
  H       0.349862      1.799637      8.043557
  C      -3.859580      3.860318      7.453009
  C      -4.573947      5.211047      7.510666
  O      -5.234854      5.496095      6.254991
  C      -4.626260      6.350732      5.418221
  O      -3.572953      6.930443      5.625365
  C      -5.451547      6.566085      4.174003
  N      -6.745916      6.778406      4.358983
  C      -7.481745      7.051138      3.247762
  N      -7.059973      7.100190      1.999198
  C      -5.733513      6.848106      1.794382
  C      -5.231578      6.832559      0.469616
  C      -3.896402      6.580238      0.243468
  C      -3.012556      6.338690      1.324963
  C      -3.471714      6.337748      2.626369
  C      -4.843509      6.587839      2.886263
  C      -1.409908     -0.364711      4.048054
  C      -2.808302     -0.935580      3.781933
  O      -3.572412     -0.188261      2.808449
  C      -4.318278      0.851568      3.280732
  O      -4.207458      1.160161      4.534821
  C      -5.148980      1.563997      2.367502
  N      -5.723277      2.682633      2.899008
  C      -6.417565      3.467835      2.076018
  N      -6.616412      3.332728      0.765100
  C      -6.112434      2.184168      0.211461
  C      -6.355564      1.948665     -1.162888
  C      -5.920119      0.785986     -1.773263
  C      -5.227172     -0.179873     -1.021950
  C      -4.959485      0.031251      0.324415
  C      -5.375853      1.215454      0.975913
  C      -3.629204     -0.252076      7.132425
  C      -4.662363      0.149597      8.187590
  O      -5.591012      1.108534      7.617695
  C      -6.559787      0.582913      6.836651
  O      -6.769171     -0.613357      6.721040
  C      -7.336250      1.657201      6.118132
  N      -7.382376      2.847710      6.701839
  C      -8.102372      3.812370      6.074418
  N      -8.778061      3.697332      4.947513
  C      -8.714317      2.489147      4.318802
  C      -9.363155      2.339732      3.068576
  C      -9.252118      1.156746      2.372088
  C      -8.507825      0.077935      2.904965
  C      -7.887396      0.181449      4.132059
  C      -7.974769      1.389449      4.871167
  H      -3.534050      3.630227      8.494174
  H      -4.605050      3.098888      7.180302
  H      -3.885176      6.031668      7.750267
  H      -5.377946      5.161205      8.256586
  H      -8.544529      7.240234      3.423637
  H      -5.933298      7.011146     -0.345387
  H      -3.510833      6.565363     -0.777341
  H      -1.954759      6.157496      1.123421
  H      -2.797642      6.139054      3.457331
  H      -1.029291     -0.898486      4.949165
  H      -0.745938     -0.659259      3.212352
  H      -3.390698     -1.008826      4.703155
  H      -2.707986     -1.939947      3.349240
  H      -6.888300      4.337749      2.544001
  H      -6.912029      2.711567     -1.710086
  H      -6.120669      0.614298     -2.832577
  H      -4.895504     -1.104882     -1.497275
  H      -4.423054     -0.727988      0.887126
  H      -4.200787     -0.514524      6.232450
  H      -3.125901     -1.175311      7.479352
  H      -5.219562     -0.728124      8.543151
  H      -4.203003      0.676779      9.033428
  H      -8.114204      4.790087      6.562729
  H      -9.906807      3.196426      2.669379
  H      -9.724774      1.053832      1.394077
  H      -8.414720     -0.844957      2.330415
  H      -7.320407     -0.652890      4.537888
  N      -2.574691      3.319025      3.803592
  N      -2.378407      3.137141      2.546794
  H      -2.115321      2.192813      2.220432
  H      -2.641413      3.860164      1.873679
99
Coordinates from ORCA-job orca E -6707.148900359242
  N      -2.750923      3.822279      6.536171
  Mo     -2.623953      2.222586      5.338960
  N      -2.666940      0.792396      6.826654
  C      -1.433054      0.636217      7.585030
  C      -0.659278      1.944520      7.619874
  N      -0.561503      2.524050      6.250022
  C      -0.359540      3.995753      6.281976
  C      -1.607623      4.641883      6.878498
  C       0.493225      1.839453      5.451416
  C      -0.049589      1.662886      4.037185
  N      -1.375139      1.085855      4.124154
  H      -1.711203      5.673565      6.496793
  H      -1.515434      4.724585      7.981214
  H      -0.217445      4.314831      5.241478
  H       0.548468      4.253250      6.855732
  H       0.632134      1.030692      3.440791
  H      -0.104491      2.648462      3.544212
  H       0.677381      0.854992      5.902675
  H       1.432506      2.415846      5.492257
  H      -1.637750      0.338252      8.631179
  H      -0.805540     -0.179076      7.161408
  H      -1.199954      2.659482      8.250405
  H       0.351319      1.807039      8.041025
  C      -3.862203      3.865354      7.456594
  C      -4.577277      5.215715      7.510387
  O      -5.235466      5.497542      6.252825
  C      -4.628856      6.354849      5.417751
  O      -3.580974      6.942960      5.629605
  C      -5.444657      6.556761      4.165182
  N      -6.743292      6.753064      4.337041
  C      -7.472055      7.012886      3.218139
  N      -7.038860      7.063287      1.973454
  C      -5.707311      6.827818      1.782225
  C      -5.192897      6.814726      0.462214
  C      -3.852377      6.579108      0.249534
  C      -2.975982      6.353068      1.340221
  C      -3.447170      6.350044      2.637357
  C      -4.824490      6.582616      2.883472
  C      -1.410610     -0.359284      4.039719
  C      -2.808284     -0.932689      3.776697
  O      -3.577528     -0.185178      2.807363
  C      -4.322314      0.852687      3.284799
  O      -4.208846      1.156599      4.539368
  C      -5.155798      1.568448      2.376180
  N      -5.730188      2.683780      2.914675
  C      -6.430993      3.470092      2.098298
  N      -6.637266      3.338734      0.788232
  C      -6.131631      2.194155      0.227372
  C      -6.381208      1.963723     -1.146579
  C      -5.944193      0.805502     -1.764475
  C      -5.243666     -0.160781     -1.020763
  C      -4.970116      0.045439      0.325204
  C      -5.387812      1.225042      0.984138
  C      -3.623614     -0.253250      7.134516
  C      -4.660001      0.148862      8.186218
  O      -5.588201      1.104590      7.611409
  C      -6.556361      0.576125      6.831405
  O      -6.767557     -0.620378      6.722089
  C      -7.334282      1.648747      6.112137
  N      -7.376174      2.841135      6.692234
  C      -8.094973      3.805707      6.063481
  N      -8.772076      3.689351      4.937387
  C      -8.713339      2.478722      4.312853
  C      -9.365560      2.326585      3.064685
  C      -9.261307      1.140116      2.373244
  C      -8.520406      0.060330      2.909039
  C      -7.896151      0.166623      4.133922
  C      -7.976914      1.378247      4.867908
  H      -3.537069      3.636701      8.498102
  H      -4.607064      3.103471      7.183892
  H      -3.889862      6.037437      7.750196
  H      -5.382883      5.166895      8.254782
  H      -8.538481      7.190578      3.383530
  H      -5.889100      6.982005     -0.359867
  H      -3.457146      6.565708     -0.767590
  H      -1.913934      6.185829      1.149079
  H      -2.777865      6.163744      3.475140
  H      -1.025786     -0.895466      4.937721
  H      -0.748564     -0.649700      3.201066
  H      -3.387269     -1.009353      4.699742
  H      -2.707212     -1.936023      3.341759
  H      -6.900440      4.337706      2.571897
  H      -6.943324      2.726634     -1.687921
  H      -6.149464      0.637826     -2.823555
  H      -4.910750     -1.082307     -1.502001
  H      -4.428171     -0.714262      0.881925
  H      -4.194029     -0.520796      6.235168
  H      -3.118374     -1.174259      7.484345
  H      -5.216856     -0.728672      8.542809
  H      -4.202925      0.679030      9.031583
  H      -8.102821      4.785078      6.548651
  H      -9.906387      3.184054      2.663267
  H      -9.736217      1.034863      1.396545
  H      -8.433407     -0.865240      2.337811
  H      -7.331227     -0.668295      4.541423
  N      -2.584919      3.319640      3.806409
  N      -2.387778      3.138765      2.549810
  H      -2.155696      2.186809      2.221467
  H      -2.644132      3.865530      1.878322
99
Coordinates from ORCA-job orca E -6707.148893626196
  N      -2.749736      3.822907      6.538179
  Mo     -2.623441      2.224596      5.340132
  N      -2.665972      0.792812      6.826346
  C      -1.431596      0.635595      7.583716
  C      -0.657802      1.943853      7.619974
  N      -0.560415      2.525185      6.250894
  C      -0.358558      3.996851      6.284835
  C      -1.606745      4.642270      6.881989
  C       0.493751      1.841573      5.450831
  C      -0.049900      1.666776      4.036655
  N      -1.375528      1.089919      4.123724
  H      -1.710266      5.674313      6.501333
  H      -1.515087      4.723608      7.984846
  H      -0.216302      4.317441      5.244828
  H       0.549385      4.253684      6.859006
  H       0.631308      1.035303      3.438920
  H      -0.105167      2.652928      3.544877
  H       0.678125      0.856501      5.900690
  H       1.433160      2.417759      5.491696
  H      -1.635566      0.336036      8.629542
  H      -0.804349     -0.178953      7.158249
  H      -1.198375      2.657937      8.251615
  H       0.352889      1.805792      8.040722
  C      -3.862937      3.866140      7.456083
  C      -4.580993      5.215128      7.505786
  O      -5.236796      5.492851      6.245974
  C      -4.632729      6.353409      5.412353
  O      -3.590417      6.949888      5.627990
  C      -5.443474      6.545674      4.155006
  N      -6.744952      6.729431      4.319347
  C      -7.470035      6.979044      3.195729
  N      -7.030599      7.030400      1.953285
  C      -5.695760      6.807597      1.769916
  C      -5.173948      6.795631      0.452811
  C      -3.830094      6.572319      0.248152
  C      -2.957543      6.357769      1.344255
  C      -3.435854      6.353947      2.638760
  C      -4.816661      6.574102      2.876615
  C      -1.412022     -0.355106      4.036890
  C      -2.810227     -0.927056      3.772900
  O      -3.579208     -0.177078      2.805217
  C      -4.324499      0.859329      3.285293
  O      -4.209746      1.161058      4.540323
  C      -5.160237      1.575503      2.379198
  N      -5.737038      2.688058      2.920860
  C      -6.439986      3.474924      2.106803
  N      -6.646296      3.346569      0.796440
  C      -6.139001      2.204183      0.232625
  C      -6.389235      1.976120     -1.141624
  C      -5.951020      0.819757     -1.762133
  C      -5.248590     -0.147101     -1.020950
  C      -4.974316      0.056836      0.325209
  C      -5.393059      1.234610      0.986686
  C      -3.622410     -0.253564      7.132848
  C      -4.658113      0.145988      8.186221
  O      -5.587884      1.102003      7.614140
  C      -6.556382      0.573788      6.834425
  O      -6.766871     -0.622726      6.723856
  C      -7.335816      1.646588      6.116992
  N      -7.378154      2.838388      6.698252
  C      -8.098755      3.802830      6.071363
  N      -8.777777      3.686661      4.946419
  C      -8.718510      2.476727      4.320548
  C      -9.372138      2.325143      3.073057
  C      -9.266904      1.139725      2.379922
  C      -8.523856      0.060351      2.913490
  C      -7.898400      0.166009      4.137826
  C      -7.979828      1.376646      4.873351
  H      -3.539606      3.640025      8.498749
  H      -4.605963      3.102396      7.183563
  H      -3.896025      6.038827      7.745792
  H      -5.388435      5.165405      8.248099
  H      -8.539109      7.146354      3.354711
  H      -5.867183      6.953635     -0.373602
  H      -3.429141      6.559773     -0.766737
  H      -1.892894      6.200166      1.159454
  H      -2.769580      6.176092      3.480769
  H      -1.027406     -0.893008      4.933901
  H      -0.750362     -0.644426      3.197560
  H      -3.389216     -1.005256      4.695863
  H      -2.709791     -1.929516      3.335794
  H      -6.911603      4.339994      2.582972
  H      -6.952987      2.739268     -1.680940
  H      -6.156920      0.653847     -2.821361
  H      -4.914741     -1.067185     -1.504268
  H      -4.430824     -0.703189      0.880045
  H      -4.192967     -0.519363      6.233071
  H      -3.116660     -1.175067      7.480682
  H      -5.213862     -0.732652      8.541796
  H      -4.200715      0.675024      9.032075
  H      -8.107123      4.781689      6.557563
  H      -9.914676      3.182310      2.673313
  H      -9.742897      1.035077      1.403683
  H      -8.436132     -0.864472      2.341176
  H      -7.332018     -0.668648      4.543845
  N      -2.585325      3.324089      3.808021
  N      -2.388978      3.141093      2.551588
  H      -2.147754      2.190589      2.225556
  H      -2.648567      3.865260      1.878525
99
Coordinates from ORCA-job orca E -6707.148902026082
  N      -2.749842      3.822710      6.536909
  Mo     -2.623257      2.223616      5.339030
  N      -2.666652      0.792715      6.826042
  C      -1.432584      0.635681      7.583950
  C      -0.658583      1.943870      7.619623
  N      -0.560683      2.524177      6.250112
  C      -0.358440      3.995831      6.282815
  C      -1.606390      4.641909      6.879668
  C       0.493795      1.839797      5.450996
  C      -0.049349      1.663689      4.036813
  N      -1.374917      1.086800      4.124122
  H      -1.709777      5.673829      6.498564
  H      -1.514179      4.723941      7.982441
  H      -0.216199      4.315418      5.242491
  H       0.549577      4.252889      6.856757
  H       0.632137      1.031524      3.440122
  H      -0.104277      2.649370      3.544043
  H       0.677947      0.855136      5.901823
  H       1.433160      2.416049      5.491863
  H      -1.637019      0.336861      8.629903
  H      -0.805292     -0.179321      7.159433
  H      -1.199283      2.658513      8.250517
  H       0.351978      1.806064      8.040754
  C      -3.861172      3.865639      7.457237
  C      -4.577035      5.215593      7.510567
  O      -5.235147      5.496538      6.252793
  C      -4.629608      6.354706      5.417872
  O      -3.583486      6.945646      5.630551
  C      -5.444648      6.553963      4.164427
  N      -6.744144      6.745910      4.334844
  C      -7.472708      7.001967      3.214957
  N      -7.038521      7.052258      1.970606
  C      -5.705966      6.821228      1.780925
  C      -5.190344      6.807790      0.461394
  C      -3.848902      6.576105      0.250234
  C      -2.972771      6.354428      1.342028
  C      -3.445089      6.351855      2.638747
  C      -4.823350      6.580463      2.883300
  C      -1.410743     -0.358291      4.039181
  C      -2.808709     -0.931123      3.776355
  O      -3.577684     -0.183218      2.807080
  C      -4.322227      0.854814      3.284593
  O      -4.208907      1.158424      4.539245
  C      -5.155957      1.570333      2.376003
  N      -5.731665      2.684901      2.914651
  C      -6.433098      3.470684      2.098271
  N      -6.638866      3.339456      0.788118
  C      -6.132231      2.195330      0.227214
  C      -6.381600      1.964642     -1.146728
  C      -5.943746      0.806681     -1.764535
  C      -5.242589     -0.159106     -1.020758
  C      -4.969246      0.047394      0.325204
  C      -5.387747      1.226771      0.983990
  C      -3.623629     -0.252848      7.133319
  C      -4.660138      0.148992      8.185021
  O      -5.588312      1.105059      7.610658
  C      -6.556827      0.576947      6.830861
  O      -6.767958     -0.619517      6.720979
  C      -7.335000      1.649851      6.112242
  N      -7.376712      2.842052      6.692742
  C      -8.096093      3.806708      6.064804
  N      -8.774241      3.690507      4.939311
  C      -8.715803      2.480061      4.314405
  C      -9.369046      2.328129      3.066741
  C      -9.265169      1.141859      2.374902
  C      -8.523770      0.062000      2.909868
  C      -7.898544      0.168072      4.134276
  C      -7.978727      1.379562      4.868544
  H      -3.535965      3.637603      8.498869
  H      -4.605626      3.103239      7.184845
  H      -3.890176      6.037789      7.750337
  H      -5.382824      5.166254      8.254730
  H      -8.539964      7.175831      3.379052
  H      -5.886361      6.971472     -0.361562
  H      -3.452753      6.562357     -0.766527
  H      -1.910034      6.190236      1.152076
  H      -2.775959      6.168783      3.477379
  H      -1.025815     -0.894890      4.936890
  H      -0.749032     -0.648594      3.200231
  H      -3.387657     -1.007530      4.699471
  H      -2.708129     -1.934489      3.341374
  H      -6.903530      4.337704      2.571986
  H      -6.944287      2.727067     -1.688163
  H      -6.148899      0.638790     -2.823601
  H      -4.909031     -1.080422     -1.501950
  H      -4.426795     -0.711891      0.882044
  H      -4.193794     -0.520064      6.233702
  H      -3.118588     -1.174028      7.482982
  H      -5.217098     -0.728642      8.541208
  H      -4.203052      0.678752      9.030626
  H      -8.103857      4.785908      6.550310
  H      -9.910327      3.185635      2.666011
  H      -9.740870      1.036785      1.398573
  H      -8.437185     -0.863442      2.338374
  H      -7.333275     -0.666895      4.541214
  N      -2.583996      3.321166      3.806726
  N      -2.387247      3.140418      2.550073
  H      -2.152976      2.188986      2.221738
  H      -2.643611      3.867133      1.878524
99
Coordinates from ORCA-job orca E -6707.148901524307
  N      -2.750766      3.822089      6.536661
  Mo     -2.623704      2.222996      5.338965
  N      -2.666513      0.792105      6.826014
  C      -1.432234      0.635356      7.583628
  C      -0.658776      1.943864      7.619439
  N      -0.561159      2.524371      6.249996
  C      -0.359459      3.996097      6.282799
  C      -1.607669      4.641673      6.879623
  C       0.493569      1.840484      5.450799
  C      -0.049606      1.664193      4.036659
  N      -1.374926      1.086734      4.124095
  H      -1.711418      5.673602      6.498629
  H      -1.515582      4.723607      7.982414
  H      -0.217296      4.315785      5.242496
  H       0.548435      4.253471      6.856793
  H       0.632093      1.032317      3.439905
  H      -0.104996      2.649851      3.543906
  H       0.678178      0.855880      5.901563
  H       1.432685      2.417142      5.491640
  H      -1.636340      0.336235      8.629556
  H      -0.804698     -0.179294      7.158805
  H      -1.199800      2.658189      8.250417
  H       0.351853      1.806458      8.040536
  C      -3.862323      3.864708      7.456732
  C      -4.578493      5.214489      7.510083
  O      -5.236445      5.495511      6.252262
  C      -4.630887      6.353829      5.417524
  O      -3.584354      6.944126      5.629998
  C      -5.445773      6.553060      4.163970
  N      -6.745246      6.745290      4.334276
  C      -7.473649      7.001535      3.214331
  N      -7.039331      7.051781      1.970022
  C      -5.706787      6.820593      1.780472
  C      -5.191006      6.807234      0.461004
  C      -3.849513      6.575681      0.250005
  C      -2.973475      6.354170      1.341911
  C      -3.445964      6.351443      2.638571
  C      -4.824307      6.579757      2.882938
  C      -1.410151     -0.358362      4.038910
  C      -2.807885     -0.931714      3.776177
  O      -3.577137     -0.184059      2.806956
  C      -4.322263      0.853573      3.284481
  O      -4.209126      1.157288      4.539130
  C      -5.155896      1.568984      2.375707
  N      -5.731158      2.683933      2.914049
  C      -6.431856      3.470052      2.097355
  N      -6.637244      3.338838      0.787149
  C      -6.131069      2.194382      0.226503
  C      -6.380008      1.963829     -1.147538
  C      -5.942524      0.805639     -1.765173
  C      -5.242155     -0.160500     -1.021123
  C      -4.969200      0.045875      0.324939
  C      -5.387356      1.225466      0.983591
  C      -3.623402     -0.253416      7.133747
  C      -4.659610      0.148530      8.185695
  O      -5.587649      1.104882      7.611613
  C      -6.555924      0.577254      6.831198
  O      -6.767045     -0.619139      6.720533
  C      -7.334429      1.650700      6.113745
  N      -7.376441      2.842242      6.695570
  C      -8.095974      3.807455      6.068675
  N      -8.774029      3.692369      4.943013
  C      -8.715187      2.482675      4.316690
  C      -9.368199      2.332071      3.068743
  C      -9.263730      1.146740      2.375393
  C      -8.521911      0.066523      2.909055
  C      -7.896946      0.171260      4.133709
  C      -7.977819      1.381737      4.869577
  H      -3.537234      3.636672      8.498399
  H      -4.606530      3.102133      7.184168
  H      -3.891845      6.036790      7.750101
  H      -5.384410      5.164850      8.254087
  H      -8.540873      7.175678      3.378336
  H      -5.886932      6.970910     -0.362031
  H      -3.453233      6.562034     -0.766706
  H      -1.910672      6.190234      1.152092
  H      -2.776899      6.168523      3.477286
  H      -1.024849     -0.894950      4.936463
  H      -0.748445     -0.648231      3.199809
  H      -3.386738     -1.008317      4.699307
  H      -2.706964     -1.935048      3.341193
  H      -6.901977      4.337371      2.570829
  H      -6.942069      2.726543     -1.689213
  H      -6.147357      0.637855     -2.824319
  H      -4.908895     -1.081990     -1.502189
  H      -4.427366     -0.713686      0.881971
  H      -4.193859     -0.520764      6.234358
  H      -3.118276     -1.174555      7.483382
  H      -5.216703     -0.729024      8.541867
  H      -4.202243      0.678092      9.031275
  H      -8.103905      4.786130      6.555230
  H      -9.909731      3.189891      2.669024
  H      -9.739217      1.042732      1.398843
  H      -8.434817     -0.858123      2.336350
  H      -7.331339     -0.663968      4.539625
  N      -2.585105      3.320458      3.806414
  N      -2.388556      3.138925      2.549868
  H      -2.153840      2.187372      2.222172
  H      -2.644833      3.865249      1.877863
99
Coordinates from ORCA-job orca E -6707.148902441095
  N      -2.749781      3.822624      6.537454
  Mo     -2.623466      2.223629      5.339710
  N      -2.666445      0.792424      6.826464
  C      -1.432039      0.635227      7.583785
  C      -0.658358      1.943591      7.619882
  N      -0.560674      2.524358      6.250558
  C      -0.358512      3.996009      6.283641
  C      -1.606484      4.641798      6.880677
  C       0.493774      1.840343      5.451102
  C      -0.049654      1.664503      4.037003
  N      -1.375124      1.087388      4.124524
  H      -1.709967      5.673864      6.499991
  H      -1.514365      4.723359      7.983496
  H      -0.216344      4.315856      5.243387
  H       0.549497      4.253004      6.857619
  H       0.631776      1.032555      3.440019
  H      -0.104854      2.650273      3.544460
  H       0.678174      0.855595      5.901634
  H       1.433041      2.416748      5.491943
  H      -1.635956      0.335746      8.629644
  H      -0.804698     -0.179334      7.158520
  H      -1.199284      2.657861      8.251011
  H       0.352255      1.805935      8.040934
  C      -3.861561      3.865647      7.457246
  C      -4.577310      5.215639      7.510408
  O      -5.235079      5.496707      6.252516
  C      -4.629156      6.354548      5.417568
  O      -3.582356      6.944432      5.629872
  C      -5.444278      6.554076      4.164214
  N      -6.743573      6.747209      4.334897
  C      -7.472166      7.003637      3.215127
  N      -7.038220      7.053231      1.970659
  C      -5.705876      6.821195      1.780744
  C      -5.190529      6.807151      0.461114
  C      -3.849221      6.574851      0.249761
  C      -2.972932      6.353297      1.341460
  C      -3.445012      6.351171      2.638271
  C      -4.823177      6.580195      2.882997
  C      -1.410797     -0.357664      4.038670
  C      -2.808754     -0.930476      3.776133
  O      -3.577948     -0.182334      2.807256
  C      -4.323033      0.855144      3.285239
  O      -4.209541      1.158608      4.539910
  C      -5.157019      1.570627      2.376832
  N      -5.732270      2.685397      2.915569
  C      -6.433233      3.471640      2.099212
  N      -6.638874      3.340727      0.789016
  C      -6.132789      2.196410      0.228000
  C      -6.382054      1.966167     -1.146033
  C      -5.944734      0.808108     -1.764029
  C      -5.244211     -0.158202     -1.020353
  C      -4.970907      0.047887      0.325683
  C      -5.388859      1.227354      0.984704
  C      -3.623517     -0.252958      7.134171
  C      -4.660143      0.149393      8.185556
  O      -5.588174      1.105178      7.610544
  C      -6.556469      0.576774      6.830679
  O      -6.767783     -0.619717      6.721465
  C      -7.334337      1.649439      6.111390
  N      -7.375531      2.842054      6.691072
  C      -8.094336      3.806653      6.062408
  N      -8.772470      3.690016      4.936951
  C      -8.714477      2.479146      4.312817
  C      -9.367722      2.326688      3.065213
  C      -9.264116      1.140019      2.374028
  C      -8.522944      0.060296      2.909590
  C      -7.897830      0.166843      4.134005
  C      -7.977853      1.378706      4.867681
  H      -3.536739      3.637505      8.498968
  H      -4.605943      3.103300      7.184563
  H      -3.890429      6.037757      7.750396
  H      -5.383314      5.166305      8.254340
  H      -8.539194      7.178680      3.379450
  H      -5.886640      6.970918     -0.361748
  H      -3.453278      6.560684     -0.767073
  H      -1.910260      6.188842      1.151352
  H      -2.775768      6.168204      3.476825
  H      -1.025332     -0.894775      4.935836
  H      -0.749452     -0.647321      3.199212
  H      -3.387396     -1.007046      4.699384
  H      -2.708274     -1.933770      3.340949
  H      -6.903283      4.338854      2.572960
  H      -6.944245      2.728990     -1.687417
  H      -6.149830      0.640560     -2.823163
  H      -4.911100     -1.079599     -1.501701
  H      -4.428945     -0.711799      0.882405
  H      -4.193686     -0.520613      6.234693
  H      -3.118559     -1.173996      7.484304
  H      -5.217212     -0.728038      8.542073
  H      -4.203134      0.679557      9.030955
  H      -8.101501      4.786233      6.547153
  H      -9.908745      3.184132      2.663996
  H      -9.739761      1.034532      1.397714
  H      -8.436490     -0.865436      2.338544
  H      -7.332765     -0.668028      4.541408
  N      -2.585051      3.321275      3.807061
  N      -2.389068      3.138880      2.550586
  H      -2.153871      2.187229      2.223476
  H      -2.644789      3.865024      1.878176
99
Coordinates from ORCA-job orca E -6707.148902555803
  N      -2.749644      3.822559      6.538478
  Mo     -2.623268      2.224122      5.340223
  N      -2.666099      0.792016      6.826124
  C      -1.431359      0.634195      7.582778
  C      -0.658004      1.942718      7.620061
  N      -0.560413      2.524639      6.251228
  C      -0.358405      3.996277      6.285444
  C      -1.606513      4.641493      6.882754
  C       0.494126      1.841418      5.451201
  C      -0.049479      1.666235      4.037084
  N      -1.374775      1.088724      4.124643
  H      -1.709985      5.673873      6.502947
  H      -1.514681      4.722082      7.985676
  H      -0.216126      4.316883      5.245436
  H       0.549490      4.252957      6.859740
  H       0.631990      1.034735      3.439679
  H      -0.105017      2.652244      3.545048
  H       0.678862      0.856440      5.901084
  H       1.433232      2.418062      5.492284
  H      -1.634772      0.333447      8.628364
  H      -0.803964     -0.179680      7.156294
  H      -1.199232      2.656285      8.251734
  H       0.352624      1.805011      8.041063
  C      -3.862234      3.865582      7.457309
  C      -4.578073      5.215542      7.509790
  O      -5.234929      5.496387      6.251382
  C      -4.628468      6.354011      5.416624
  O      -3.582312      6.944685      5.629905
  C      -5.443186      6.553646      4.163016
  N      -6.742593      6.746442      4.333319
  C      -7.470942      7.002563      3.213332
  N      -7.036700      7.051897      1.968953
  C      -5.704254      6.820160      1.779426
  C      -5.188635      6.805753      0.459906
  C      -3.847232      6.573672      0.248919
  C      -2.971127      6.352707      1.340883
  C      -3.443468      6.350919      2.637600
  C      -4.821743      6.579718      2.881963
  C      -1.410140     -0.356274      4.037748
  C      -2.808105     -0.929123      3.775596
  O      -3.577474     -0.180920      2.806923
  C      -4.322992      0.856163      3.285157
  O      -4.209675      1.159424      4.539866
  C      -5.157419      1.571206      2.376798
  N      -5.733394      2.685593      2.915542
  C      -6.434858      3.471385      2.099172
  N      -6.640416      3.340326      0.788982
  C      -6.133693      2.196265      0.228000
  C      -6.382976      1.965747     -1.145979
  C      -5.945161      0.807819     -1.763884
  C      -5.244155     -0.158093     -1.020142
  C      -4.970838      0.048289      0.325844
  C      -5.389223      1.227667      0.984742
  C      -3.623275     -0.253333      7.133633
  C      -4.659939      0.148911      8.185031
  O      -5.587989      1.104802      7.610262
  C      -6.556480      0.576552      6.830537
  O      -6.767429     -0.619952      6.720722
  C      -7.334597      1.649342      6.111710
  N      -7.375720      2.841825      6.691671
  C      -8.094974      3.806445      6.063569
  N      -8.773765      3.689896      4.938487
  C      -8.715947      2.479143      4.314118
  C      -9.369878      2.326803      3.066854
  C      -9.266440      1.140291      2.375380
  C      -8.524780      0.060588      2.910324
  C      -7.898985      0.167016      4.134399
  C      -7.978782      1.378740      4.868329
  H      -3.538248      3.637446      8.499291
  H      -4.606373      3.103202      7.184008
  H      -3.891405      6.037714      7.750215
  H      -5.384641      5.166199      8.253109
  H      -8.538042      7.177462      3.377342
  H      -5.884620      6.969022     -0.363158
  H      -3.451091      6.559172     -0.767835
  H      -1.908379      6.188433      1.151051
  H      -2.774348      6.168395      3.476337
  H      -1.024056     -0.893927      4.934327
  H      -0.749185     -0.645194      3.197732
  H      -3.386488     -1.005656      4.699028
  H      -2.707735     -1.932431      3.340410
  H      -6.905513      4.338276      2.572912
  H      -6.945599      2.728205     -1.687428
  H      -6.150273      0.640059     -2.822980
  H      -4.910694     -1.079406     -1.501410
  H      -4.428503     -0.711095      0.882637
  H      -4.193428     -0.520987      6.234120
  H      -3.118371     -1.174405      7.483716
  H      -5.217034     -0.728560      8.541418
  H      -4.202873      0.678917      9.030498
  H      -8.101986      4.785950      6.548468
  H      -9.911276      3.184241      2.666133
  H      -9.742631      1.034882      1.399323
  H      -8.438494     -0.865004      2.339026
  H      -7.333506     -0.667816      4.541321
  N      -2.585337      3.322468      3.807795
  N      -2.389698      3.139417      2.551424
  H      -2.153754      2.187760      2.224805
  H      -2.644324      3.865605      1.878646
99
Coordinates from ORCA-job orca E -6707.148903123906
  N      -2.749061      3.822510      6.539732
  Mo     -2.622802      2.224699      5.341054
  N      -2.665474      0.791495      6.825893
  C      -1.430267      0.632892      7.581646
  C      -0.657342      1.941632      7.620438
  N      -0.559804      2.524983      6.252211
  C      -0.357930      3.996593      6.287844
  C      -1.606177      4.641091      6.885510
  C       0.494798      1.842700      5.451459
  C      -0.049083      1.668323      4.037347
  N      -1.374192      1.090405      4.125011
  H      -1.709589      5.673910      6.506893
  H      -1.514783      4.720315      7.988579
  H      -0.215520      4.318179      5.248151
  H       0.549835      4.252844      6.862532
  H       0.632368      1.037325      3.439400
  H      -0.105021      2.654611      3.545906
  H       0.679934      0.857446      5.900558
  H       1.433720      2.419617      5.492774
  H      -1.632955      0.330456      8.626876
  H      -0.802805     -0.180039      7.153488
  H      -1.198999      2.654318      8.252756
  H       0.353281      1.803863      8.041438
  C      -3.862762      3.865473      7.457218
  C      -4.578760      5.215366      7.509113
  O      -5.234863      5.496201      6.250316
  C      -4.628106      6.353959      5.415908
  O      -3.581737      6.944157      5.629428
  C      -5.442398      6.553659      4.162006
  N      -6.741812      6.746762      4.331966
  C      -7.469815      7.002960      3.211777
  N      -7.035307      7.051754      1.967467
  C      -5.702872      6.819711      1.778304
  C      -5.186964      6.804832      0.458900
  C      -3.845503      6.572736      0.248305
  C      -2.969624      6.352262      1.340553
  C      -3.442260      6.350857      2.637166
  C      -4.820626      6.579553      2.881121
  C      -1.409286     -0.354530      4.036805
  C      -2.807344     -0.927317      3.775420
  O      -3.576946     -0.179133      2.806947
  C      -4.323133      0.857411      3.285448
  O      -4.209854      1.160663      4.540120
  C      -5.158205      1.571772      2.377147
  N      -5.734669      2.685986      2.915715
  C      -6.436547      3.471289      2.099223
  N      -6.642088      3.339877      0.789064
  C      -6.135028      2.195835      0.228329
  C      -6.384423      1.964833     -1.145545
  C      -5.946416      0.806805     -1.763141
  C      -5.245124     -0.158723     -1.019169
  C      -4.971666      0.048174      0.326707
  C      -5.390172      1.227695      0.985262
  C      -3.622806     -0.253803      7.133113
  C      -4.659805      0.148477      8.184171
  O      -5.587664      1.104418      7.609207
  C      -6.556086      0.576243      6.829347
  O      -6.767174     -0.620249      6.719629
  C      -7.334442      1.649113      6.110899
  N      -7.375057      2.841644      6.690807
  C      -8.094628      3.806300      6.063142
  N      -8.774378      3.689697      4.938641
  C      -8.717122      2.478899      4.314321
  C      -9.372046      2.326526      3.067579
  C      -9.269122      1.140012      2.376036
  C      -8.527016      0.060329      2.910417
  C      -7.900289      0.166773      4.134012
  C      -7.979539      1.378504      4.867996
  H      -3.539853      3.637142      8.499478
  H      -4.606575      3.103064      7.183025
  H      -3.892353      6.037601      7.750066
  H      -5.385850      5.165870      8.251851
  H      -8.536898      7.178238      3.375504
  H      -5.882766      6.967825     -0.364373
  H      -3.449136      6.557886     -0.768357
  H      -1.906815      6.188054      1.151022
  H      -2.773320      6.168667      3.476114
  H      -1.022282     -0.892883      4.932566
  H      -0.749006     -0.642557      3.195955
  H      -3.385278     -1.003522      4.699179
  H      -2.707269     -1.930749      3.340434
  H      -6.907549      4.338093      2.572791
  H      -6.947317      2.726954     -1.687185
  H      -6.151621      0.638670     -2.822160
  H      -4.911556     -1.080133     -1.500178
  H      -4.429088     -0.710913      0.883691
  H      -4.192709     -0.521601      6.233453
  H      -3.118041     -1.174850      7.483416
  H      -5.217043     -0.728982      8.540373
  H      -4.202927      0.678442      9.029766
  H      -8.101176      4.785852      6.547960
  H      -9.913757      3.183968      2.667289
  H      -9.746082      1.034562      1.400360
  H      -8.441139     -0.865246      2.339031
  H      -7.334452     -0.668026      4.540501
  N      -2.585661      3.323906      3.808675
  N      -2.390791      3.139261      2.552502
  H      -2.153212      2.187567      2.227061
  H      -2.643842      3.865217      1.878874
99
Coordinates from ORCA-job orca E -6707.148902743550
  N      -2.748986      3.822076      6.541445
  Mo     -2.622757      2.224966      5.342497
  N      -2.664783      0.790440      6.826084
  C      -1.428830      0.631071      7.580496
  C      -0.656738      1.940241      7.621133
  N      -0.559525      2.525469      6.253689
  C      -0.358112      3.997083      6.291193
  C      -1.606656      4.640398      6.889329
  C       0.495242      1.844617      5.451937
  C      -0.049001      1.671383      4.037833
  N      -1.373794      1.092721      4.125479
  H      -1.710156      5.673784      6.512259
  H      -1.515940      4.717829      7.992596
  H      -0.215650      4.320001      5.251917
  H       0.549458      4.252940      6.866354
  H       0.632512      1.041264      3.439040
  H      -0.105635      2.658104      3.547344
  H       0.681062      0.859003      5.899940
  H       1.433831      2.422039      5.493558
  H      -1.630380      0.326441      8.625294
  H      -0.801199     -0.180518      7.150089
  H      -1.199016      2.651686      8.254342
  H       0.353945      1.802577      8.042036
  C      -3.864654      3.865179      7.456505
  C      -4.580775      5.215020      7.506811
  O      -5.234968      5.495494      6.246948
  C      -4.626948      6.352932      5.413114
  O      -3.580203      6.942144      5.627442
  C      -5.440267      6.553420      4.158678
  N      -6.739652      6.747368      4.327903
  C      -7.466809      7.004316      3.207338
  N      -7.031577      7.052789      1.963266
  C      -5.699194      6.819895      1.774864
  C      -5.182506      6.804838      0.455758
  C      -3.840969      6.572438      0.245983
  C      -2.965782      6.351866      1.338773
  C      -3.439211      6.350488      2.635100
  C      -4.817700      6.579328      2.878198
  C      -1.408390     -0.352113      4.034842
  C      -2.806445     -0.924930      3.774175
  O      -3.576633     -0.176355      2.806504
  C      -4.324067      0.858878      3.286132
  O      -4.210425      1.161664      4.540829
  C      -5.160224      1.572856      2.378517
  N      -5.736588      2.686923      2.917512
  C      -6.438786      3.472354      2.101417
  N      -6.644717      3.341202      0.791289
  C      -6.137927      2.197212      0.230192
  C      -6.387792      1.966477     -1.143639
  C      -5.950135      0.808495     -1.761579
  C      -5.248721     -0.157238     -1.017991
  C      -4.974718      0.049452      0.327806
  C      -5.392813      1.228931      0.986696
  C      -3.622311     -0.254602      7.133651
  C      -4.659198      0.148070      8.184668
  O      -5.587222      1.103695      7.609510
  C      -6.555513      0.575092      6.829772
  O      -6.765760     -0.621527      6.719784
  C      -7.334412      1.647555      6.111322
  N      -7.375467      2.840132      6.691114
  C      -8.095749      3.804336      6.063595
  N      -8.775914      3.687241      4.939399
  C      -8.718137      2.476448      4.315127
  C      -9.373429      2.323626      3.068633
  C      -9.269904      1.137202      2.377028
  C      -8.526789      0.058058      2.911106
  C      -7.899749      0.164905      4.134504
  C      -7.979660      1.376541      4.868583
  H      -3.543810      3.636741      8.499349
  H      -4.607926      3.102731      7.180824
  H      -3.894788      6.037358      7.748603
  H      -5.389023      5.165689      8.248299
  H      -8.533828      7.180534      3.370487
  H      -5.877760      6.968123     -0.367921
  H      -3.443982      6.557541     -0.770438
  H      -1.902872      6.187561      1.149886
  H      -2.770835      6.168140      3.474459
  H      -1.020042     -0.891797      4.929211
  H      -0.748992     -0.638415      3.192714
  H      -3.383656     -1.001369      4.698337
  H      -2.706560     -1.928249      3.338864
  H      -6.909599      4.339118      2.575276
  H      -6.950792      2.728738     -1.684975
  H      -6.155711      0.640569     -2.820559
  H      -4.915468     -1.078634     -1.499247
  H      -4.432013     -0.709775      0.884468
  H      -4.192404     -0.522752      6.234192
  H      -3.117664     -1.175591      7.484223
  H      -5.216342     -0.729291      8.541270
  H      -4.202182      0.678369      9.029984
  H      -8.102655      4.783933      6.548329
  H      -9.915870      3.180709      2.668563
  H      -9.747126      1.031416      1.401516
  H      -8.440397     -0.867413      2.339627
  H      -7.333112     -0.669467      4.540745
  N      -2.587246      3.325381      3.810067
  N      -2.393577      3.138074      2.554206
  H      -2.153852      2.186188      2.230730
  H      -2.644714      3.863431      1.879220
99
Coordinates from ORCA-job orca E -6707.148903455364
  N      -2.749244      3.821759      6.542463
  Mo     -2.622667      2.225104      5.343227
  N      -2.664238      0.789785      6.826046
  C      -1.427979      0.630213      7.579947
  C      -0.656480      1.939696      7.621593
  N      -0.559461      2.525960      6.254570
  C      -0.358532      3.997609      6.293153
  C      -1.607348      4.640082      6.891541
  C       0.495532      1.846034      5.452328
  C      -0.048739      1.673386      4.038167
  N      -1.373300      1.094164      4.125600
  H      -1.711003      5.673767      6.515314
  H      -1.517048      4.716547      7.994919
  H      -0.216071      4.321334      5.254127
  H       0.548888      4.253356      6.868597
  H       0.632953      1.043857      3.438964
  H      -0.105811      2.660358      3.548221
  H       0.681800      0.860241      5.899744
  H       1.433875      2.423836      5.494196
  H      -1.629046      0.324453      8.624502
  H      -0.800112     -0.180617      7.148473
  H      -1.199146      2.650431      8.255276
  H       0.354239      1.802168      8.042464
  C      -3.866075      3.864745      7.456072
  C      -4.582536      5.214417      7.505283
  O      -5.235534      5.494417      6.244684
  C      -4.626733      6.351675      5.411209
  O      -3.580035      6.940690      5.626273
  C      -5.439360      6.552753      4.156417
  N      -6.738746      6.747188      4.325064
  C      -7.465268      7.004726      3.204213
  N      -7.029438      7.053286      1.960356
  C      -5.697079      6.819820      1.772533
  C      -5.179772      6.804827      0.453661
  C      -3.838215      6.572004      0.244474
  C      -2.963625      6.350904      1.337635
  C      -3.437665      6.349465      2.633738
  C      -4.816189      6.578710      2.876234
  C      -1.407427     -0.350631      4.033878
  C      -2.805412     -0.923716      3.773681
  O      -3.576061     -0.175212      2.806306
  C      -4.324109      0.859405      3.286395
  O      -4.210260      1.162025      4.541079
  C      -5.160910      1.573138      2.379174
  N      -5.737317      2.687054      2.918440
  C      -6.439959      3.472391      2.102646
  N      -6.646401      3.341224      0.792593
  C      -6.139620      2.197341      0.231275
  C      -6.390009      1.966562     -1.142454
  C      -5.952374      0.808671     -1.760582
  C      -5.250454     -0.156927     -1.017293
  C      -4.975921      0.049819      0.328386
  C      -5.393982      1.229207      0.987449
  C      -3.621632     -0.255440      7.133421
  C      -4.658620      0.146929      8.184455
  O      -5.586706      1.102582      7.609445
  C      -6.554806      0.574053      6.829412
  O      -6.765254     -0.622541      6.719514
  C      -7.334330      1.646642      6.111847
  N      -7.375298      2.838958      6.692191
  C      -8.096039      3.803314      6.065442
  N      -8.776609      3.686653      4.941450
  C      -8.718815      2.476191      4.316536
  C      -9.374399      2.323939      3.070127
  C      -9.270843      1.137910      2.377847
  C      -8.527397      0.058611      2.911139
  C      -7.900028      0.164911      4.134423
  C      -7.979977      1.376124      4.869197
  H      -3.546505      3.636334      8.499297
  H      -4.608876      3.102136      7.179471
  H      -3.896963      6.036971      7.747516
  H      -5.391505      5.165157      8.245994
  H      -8.532270      7.181468      3.366915
  H      -5.874572      6.968599     -0.370307
  H      -3.440744      6.557197     -0.771760
  H      -1.900687      6.186246      1.149216
  H      -2.769776      6.166666      3.473387
  H      -1.018327     -0.890840      4.927601
  H      -0.748438     -0.636057      3.191130
  H      -3.382218     -1.000219      4.698091
  H      -2.705472     -1.927018      3.338339
  H      -6.910819      4.339001      2.576750
  H      -6.953386      2.728724     -1.683536
  H      -6.158348      0.640714     -2.819480
  H      -4.917223     -1.078262     -1.498681
  H      -4.432826     -0.709299      0.884818
  H      -4.191668     -0.523612      6.233916
  H      -3.116885     -1.176406      7.483887
  H      -5.215674     -0.730566      8.540871
  H      -4.201685      0.677122      9.029881
  H      -8.102950      4.782669      6.550680
  H      -9.917068      3.181152      2.670649
  H      -9.748294      1.032575      1.402398
  H      -8.440990     -0.866536      2.339138
  H      -7.333101     -0.669566      4.540031
  N      -2.587950      3.326335      3.811005
  N      -2.394579      3.138292      2.555238
  H      -2.153653      2.186487      2.232344
  H      -2.645088      3.863507      1.879871
